A0A087Y062_POEFO Loading...

Rho guanine nucleotide exchange factor (GEF) 16

AlphaFold DB , UniProt , Accession A0A087Y062, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 714 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	32.1	Very low	231 Å²	231	133.9 Å²	133.9	100%	1.138	75%	0.749	S	S	*	*				0	102.7	0	-67	168.4	154.3	0	0	105.4
2	S	32.8	Very low	31.8	Very low	91 Å²	91	133 Å²	133	64%	0.636	74%	0.741	S	S	*	*				66.1	125.5	65.6	73.6	0	0	0	0	110.8
3	H	34.9	Very low	31.6	Very low	161 Å²	161	137.3 Å²	137.3	75%	0.745	75%	0.748	S	S	*	*			cis	-124.7	172.7	14.9	-73.6	-90.4	0	0	0	110.4
4	S	34.9	Very low	31.3	Very low	83 Å²	83	135.6 Å²	135.6	58%	0.58	75%	0.751	S	S	*	*			cis	56.7	142.4	47.7	92	0	0	0	0	113.3
5	E	34.3	Very low	31.6	Very low	162 Å²	162	135.4 Å²	135.4	76%	0.757	76%	0.758	S	S	*	*			cis	-164.5	167.1	17.6	-135.2	145.5	152.3	0	0	111.9
6	S	32.5	Very low	31.2	Very low	92 Å²	92	137.9 Å²	137.9	64%	0.643	76%	0.762	S	S	*	*			trans	26.2	154	143.8	65.7	0	0	0	0	123.5
7	D	33	Very low	31.2	Very low	144 Å²	144	138 Å²	138	77%	0.77	76%	0.759	S	S	*	*			cis	-174	177.8	-12	-108.5	-48.6	0	0	0	112.6
8	N	29.5	Very low	30.9	Very low	147 Å²	147	139.8 Å²	139.8	79%	0.786	76%	0.761	S	S	*	*			trans	79.1	97.4	152.5	-75.5	-42	0	0	0	123.2
9	C	28.2	Very low	30.7	Very low	102 Å²	102	138.7 Å²	138.7	69%	0.689	76%	0.76	S	S	*	*				54.8	122.5	106.7	-158.4	0	0	0	0	122.1
10	T	30	Very low	30.5	Very low	130 Å²	130	138.8 Å²	138.8	80%	0.798	76%	0.759	S	S	*	*				-169.7	130.9	111.5	21.8	0	0	0	0	114
11	D	29.1	Very low	30.3	Very low	130 Å²	130	141.1 Å²	141.1	70%	0.695	76%	0.761	S	S	*	*			trans	63.5	122.8	140.8	-88.9	39	0	0	0	127
12	N	28.8	Very low	30	Very low	123 Å²	123	135 Å²	135	66%	0.658	74%	0.742	S	S	*	*				71.3	92.5	129	-91.3	-56.8	0	0	0	122
13	K	29.2	Very low	29.8	Very low	189 Å²	189	137.5 Å²	137.5	82%	0.822	75%	0.753	S	S	*	*				173.4	134.2	86.7	-96.7	168.1	-178.2	173.9	0	113.6
14	S	27	Very low	29.4	Very low	114 Å²	114	138.4 Å²	138.4	80%	0.797	76%	0.758	S	S	*	*			trans	-159.8	127.7	164.5	-71.6	0	0	0	0	110.1
15	P	35.1	Very low	29	Very low	132 Å²	132	142.7 Å²	142.7	86%	0.857	77%	0.773	S	S	*	*			trans	-85.1	133	169.9	32.6	-30.7	0	0	0	111.2
16	Q	26	Very low	28.7	Very low	175 Å²	175	143.8 Å²	143.8	82%	0.818	78%	0.778	S	S	*	*			trans	-99.8	-163.8	161.9	-70.8	-174.8	-19.7	0	0	109.5
17	I	30.3	Very low	28.5	Very low	140 Å²	140	146.3 Å²	146.3	72%	0.718	78%	0.783	S	S	*	*			trans	82.2	126.7	158.4	-62.7	173.4	0	0	0	113.5
18	E	26.4	Very low	28.1	Very low	170 Å²	170	150.3 Å²	150.3	79%	0.794	79%	0.789	S	S	*	*			cis	-149.2	176.4	1.9	-142.5	148.8	-138.5	0	0	114.2
19	T	27.4	Very low	28.2	Very low	119 Å²	119	151.6 Å²	151.6	73%	0.73	79%	0.79	S	S	*	*			trans	-85.6	151.8	169.9	49.4	0	0	0	0	113
20	L	26.8	Very low	28.7	Very low	141 Å²	141	152.9 Å²	152.9	74%	0.738	80%	0.797	S	S	*	*			trans	166.4	156.5	147.3	-89.7	158.1	0	0	0	106.9
21	F	27.2	Very low	28.5	Very low	187 Å²	187	150.4 Å²	150.4	82%	0.82	80%	0.798	S	S	*	*			cis	-133.8	158.4	23.3	-87.5	-94.8	0	0	0	113.5
22	S	25.8	Very low	28.5	Very low	104 Å²	104	151.7 Å²	151.7	73%	0.727	80%	0.804	S	S	*	*			trans	-87.9	158.4	158.4	-59.8	0	0	0	0	110.8
23	T	28.5	Very low	28.5	Very low	143 Å²	143	154.8 Å²	154.8	88%	0.877	82%	0.815	S	S	*	*			trans	-119	103.8	169.8	-50	0	0	0	0	109.7
24	E	26.6	Very low	28.3	Very low	179 Å²	179	148.4 Å²	148.4	84%	0.836	80%	0.803	S	S	*	*			trans	-98.4	159	170	-71.9	-169.9	120.5	0	0	111.7
25	L	27	Very low	28.2	Very low	173 Å²	173	153.3 Å²	153.3	91%	0.906	81%	0.81	S	S	*	*			trans	-79.8	133.1	177.6	-71.4	150.5	0	0	0	109.9
26	H	28.3	Very low	27.9	Very low	186 Å²	186	155.4 Å²	155.4	86%	0.861	81%	0.809	S	S	*	*			trans	-112.4	120.7	166.4	-113.1	-69.8	0	0	0	112
27	I	27.6	Very low	28.4	Very low	145 Å²	145	151.8 Å²	151.8	74%	0.744	80%	0.8	S	S	*	*			trans	-75.5	149.2	168.1	-62.3	161.5	0	0	0	108.2
28	Y	26.5	Very low	28.2	Very low	227 Å²	227	154.5 Å²	154.5	89%	0.89	81%	0.807	S	S	*	*			trans	-133.6	125.1	170.7	-130.4	-80.2	0	0	0	109.5
29	E	29.7	Very low	28.2	Very low	174 Å²	174	151.6 Å²	151.6	81%	0.813	81%	0.805	S	S	*	*			trans	-114.9	160.7	169.3	-84.6	-163.2	136.5	0	0	110.8
30	P	38.8	Very low	28.1	Very low	130 Å²	130	150.9 Å²	150.9	84%	0.844	81%	0.805	S	S	*	*			trans	-113.3	168	-161	41.4	-32.8	0	0	0	115.2
31	G	26.8	Very low	28.4	Very low	78 Å²	78	150.3 Å²	150.3	80%	0.804	81%	0.81	S	S	*	*			trans	143.7	151.7	167.3	0	0	0	0	0	111.4
32	D	28.1	Very low	28.2	Very low	156 Å²	156	147 Å²	147	83%	0.834	81%	0.805	S	S	*	*			cis	-157.7	161.7	-18.1	-172	10.9	0	0	0	106.6
33	E	28.8	Very low	28.2	Very low	188 Å²	188	149.4 Å²	149.4	88%	0.879	81%	0.809	S	S	*	*			trans	168.3	87.9	159.9	-95.3	-77.8	136.5	0	0	109.4
34	G	26.3	Very low	28	Very low	55 Å²	55	150.4 Å²	150.4	57%	0.567	80%	0.804	S	S	*	*			trans	38.4	119.1	147.8	0	0	0	0	0	121.8
35	F	25.2	Very low	27.8	Very low	218 Å²	218	146.4 Å²	146.4	96%	0.956	80%	0.796	S	S	*	*				-165.1	149	97.1	-106.9	-74.4	0	0	0	111.5
36	Q	27.4	Very low	27.7	Very low	176 Å²	176	146.7 Å²	146.7	82%	0.822	79%	0.792	S	S	*	*			trans	-139.2	171.7	-170.9	-135.4	-152.8	31.6	0	0	111
37	P	37.9	Very low	27.4	Very low	98 Å²	98	143 Å²	143	64%	0.636	78%	0.783	S	S	*	*				-121	177	-88.3	39.3	-27	0	0	0	113.1
38	K	25.4	Very low	27.2	Very low	197 Å²	197	142.2 Å²	142.2	86%	0.857	79%	0.785	S	S	*	*			trans	-165.9	129.9	146.7	-112.8	152.5	-169.5	173.1	0	116.9
39	S	26.3	Very low	27	Very low	109 Å²	109	137.4 Å²	137.4	76%	0.762	78%	0.779	S	S	*	*			trans	43.3	128.1	141.8	58	0	0	0	0	122.4
40	S	25.1	Very low	27.5	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	77%	0.769	S	S	*	*			trans	-70.9	175.4	155.6	51	0	0	0	0	113.5
41	P	32.6	Very low	26.8	Very low	128 Å²	128	134.9 Å²	134.9	83%	0.831	76%	0.764	S	S	*	*			trans	-131.1	172.2	137.7	38.6	-29.7	0	0	0	114.2
42	T	24.2	Very low	26.8	Very low	117 Å²	117	138.3 Å²	138.3	72%	0.718	76%	0.759	S	S	*	*			trans	-129.2	143.7	-174.6	-54.4	0	0	0	0	110.8
43	L	25.6	Very low	26.7	Very low	156 Å²	156	138 Å²	138	82%	0.817	76%	0.757	S	S	*	*			trans	-168.7	138.1	155.4	-93.6	134.1	0	0	0	107.1
44	Q	23.2	Very low	26.8	Very low	163 Å²	163	137.1 Å²	137.1	76%	0.762	75%	0.753	S	S	*	*			cis	83.8	129.5	29.7	-74.4	-163.9	-23.2	0	0	117.4
45	S	23.8	Very low	26.9	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	75%	0.752	S	S	*	*			trans	59.6	120.2	158	44.5	0	0	0	0	118.9
46	E	25.1	Very low	27	Very low	178 Å²	178	135 Å²	135	83%	0.832	74%	0.742	S	S	*	*				79.4	144.2	68.9	-74.2	-141.4	-103.7	0	0	114.7
47	T	22	Very low	26.9	Very low	108 Å²	108	134.8 Å²	134.8	66%	0.663	74%	0.738	S	S	*	*			cis	-171.2	179.3	-11.2	-88.5	0	0	0	0	108.7
48	V	23.4	Very low	26.3	Very low	130 Å²	130	137 Å²	137	79%	0.788	74%	0.744	S	S	*	*			trans	101.5	147	165.5	-167.5	0	0	0	0	118.2
49	T	21.7	Very low	26.4	Very low	125 Å²	125	133.1 Å²	133.1	77%	0.767	74%	0.737	S	S	*	*			trans	-93.4	-155.2	-178.1	52.2	0	0	0	0	111.5
50	P	40.3	Very low	26.4	Very low	94 Å²	94	133.7 Å²	133.7	61%	0.61	74%	0.735	S	S	*	*			cis	-138.9	-179.8	-9.6	42.9	-24.3	0	0	0	117.2
51	Q	24.5	Very low	26.7	Very low	158 Å²	158	134.4 Å²	134.4	74%	0.738	74%	0.738	S	S	*	*			trans	49.8	166.5	144.2	-74.1	156.8	-98.6	0	0	120.6
52	E	25.4	Very low	26.3	Very low	150 Å²	150	136.1 Å²	136.1	70%	0.701	73%	0.734	S	S	*	*			cis	-152.7	-154.9	16.2	-156.5	118.9	-115.7	0	0	113.1
53	D	27.1	Very low	26.4	Very low	148 Å²	148	137.4 Å²	137.4	79%	0.791	73%	0.732	S	S	*	*			trans	87.4	73.3	157.1	-63.2	-12.3	0	0	0	124
54	E	29.4	Very low	26.5	Very low	171 Å²	171	136.7 Å²	136.7	80%	0.799	73%	0.734	S	S	*	*				25.6	129.7	121	-72.9	-131.9	120.7	0	0	126.8
55	V	29.6	Very low	26.6	Very low	89 Å²	89	135.4 Å²	135.4	54%	0.539	73%	0.731	S	S	.	*				73.9	117.5	121.7	178.8	0	0	0	0	124
56	N	26.5	Very low	26.7	Very low	138 Å²	138	136.5 Å²	136.5	74%	0.738	73%	0.734	S	S	*	*				178.9	135.4	116.5	-92.6	-64.6	0	0	0	109.3
57	K	25.9	Very low	26.8	Very low	172 Å²	172	136.6 Å²	136.6	75%	0.748	73%	0.734	S	S	*	*				62.3	136.2	70.5	-68.9	-179.8	178	170.9	0	113.4
58	L	26.1	Very low	26.9	Very low	144 Å²	144	137.7 Å²	137.7	75%	0.754	74%	0.741	S	S	*	*			cis	-162	153.3	24	-155.8	81.5	0	0	0	114.7
59	V	26.5	Very low	27.4	Very low	116 Å²	116	137.5 Å²	137.5	70%	0.703	74%	0.743	S	S	*	*			trans	63	103.9	146.7	157.9	0	0	0	0	124.3
60	V	26.1	Very low	27.6	Very low	122 Å²	122	135.8 Å²	135.8	74%	0.739	74%	0.741	S	S	*	*				32.8	129.8	105.9	-175.4	0	0	0	0	120.9
61	P	31.3	Very low	27	Very low	120 Å²	120	135.6 Å²	135.6	78%	0.779	75%	0.747	S	S	*	*				-142	170.1	105.3	37.9	-24.5	0	0	0	114
62	E	25.5	Very low	27.2	Very low	163 Å²	163	137.5 Å²	137.5	76%	0.762	76%	0.756	S	S	*	*			cis	-157.7	165.8	-30.7	-176.1	157.2	-144.8	0	0	109.7
63	Q	26.3	Very low	27.4	Very low	144 Å²	144	139.7 Å²	139.7	67%	0.673	76%	0.763	S	S	*	*			trans	-48.9	150	-168.4	-52.2	163.1	41.5	0	0	119.7
64	V	26.1	Very low	27.8	Very low	142 Å²	142	138.3 Å²	138.3	86%	0.861	76%	0.763	S	S	*	*				-142.2	147.6	120.4	179	0	0	0	0	108.4
65	I	26.8	Very low	28	Very low	136 Å²	136	139.3 Å²	139.3	70%	0.697	77%	0.767	S	S	*	*			trans	-119.9	137.2	-177.7	-62.3	168	0	0	0	110.5
66	T	25.4	Very low	28.3	Very low	119 Å²	119	141.6 Å²	141.6	73%	0.73	78%	0.782	S	S	*	*			trans	-154.4	112.9	150.5	-23.6	0	0	0	0	112.8
67	E	26.3	Very low	29	Very low	179 Å²	179	144.4 Å²	144.4	84%	0.836	79%	0.79	S	S	*	*			trans	50.3	120.7	149	-66.3	171.8	-160.3	0	0	122.6
68	T	25	Very low	29.8	Very low	131 Å²	131	143.3 Å²	143.3	80%	0.804	79%	0.786	S	S	*	*			trans	-88	158.5	168.2	-13.8	0	0	0	0	111.3
69	P	32.6	Very low	30.7	Very low	127 Å²	127	140.7 Å²	140.7	83%	0.825	78%	0.776	S	S	*	*				-140	160.8	89.9	34.6	-18.9	0	0	0	116.7
70	A	26.4	Very low	31.8	Very low	89 Å²	89	138.1 Å²	138.1	74%	0.736	76%	0.757	S	S	*	*			trans	-65.9	167.3	173.8	0	0	0	0	0	113.7
71	A	28.3	Very low	32.8	Very low	90 Å²	90	135.2 Å²	135.2	74%	0.744	74%	0.737	S	S	*	*			cis	-175.9	164.8	-19.9	0	0	0	0	0	109.6
72	Q	29.5	Very low	33.6	Very low	198 Å²	198	132.2 Å²	132.2	93%	0.925	72%	0.719	S	S	*	*			trans	-154.3	137.5	145.2	-109.8	162.8	20.2	0	0	109.4
73	K	29.4	Very low	34.9	Very low	195 Å²	195	128.6 Å²	128.6	85%	0.848	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-84.9	145	172.7	-76.6	-176.8	174.9	-178.7	0	109.3
74	P	33.9	Very low	36.1	Very low	120 Å²	120	125.3 Å²	125.3	78%	0.779	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-65.8	137	166.6	29.3	-33.5	0	0	0	110
75	E	34.2	Very low	37.8	Very low	192 Å²	192	118.9 Å²	118.9	90%	0.897	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-72.1	134.3	172.1	-64.2	-172.2	126.5	0	0	110.1	Q77	E75-Q77 PolarHBondContact O-N 2.63Å
76	T	35.3	Very low	39	Very low	137 Å²	137	117.2 Å²	117.2	84%	0.84	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-71.3	119.3	173.5	47.4	0	0	0	0	110.1	K78	T76-K78 PolarHBondContact O-N 3.48Å; T76-K78 VanDerWaalsContact O-N 3.13Å
77	Q	42.3	Very low	40.2	Very low	196 Å²	196	112.7 Å²	112.7	92%	0.916	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-55.9	118.9	170.1	-77.5	-178.7	-57	0	0	110.1	E75	E75-Q77 PolarHBondContact O-N 2.63Å
78	K	42.1	Very low	41.6	Very low	149 Å²	149	105.4 Å²	105.4	65%	0.648	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-81.1	121	178.2	-175.9	175.1	178.1	-179.4	0	109.5	T76 I80 E84	T76-K78 PolarHBondContact O-N 3.48Å; T76-K78 VanDerWaalsContact O-N 3.13Å; K78-I80 PolarHBondContact O-N 2.95Å; K78-E84 IonicContact NZ-OE2 3.37Å; K78-E84 PolarHBondContact NZ-OE2 3.27Å
79	V	45.9	Very low	43.1	Very low	90 Å²	90	104.4 Å²	104.4	55%	0.545	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-57.8	129.9	170.4	178.7	0	0	0	0	109.2	L81	V79-L81 HydrophobicContact CG1-CD2 4.28Å
80	I	48.1	Very low	44.3	Very low	62 Å²	62	107.3 Å²	107.3	32%	0.318	58%	0.584	S	S	.	*			trans	-108.6	107.1	177.6	-55.9	-178.4	0	0	0	108.6	K78 M690 T693	K78-I80 PolarHBondContact O-N 2.95Å; I80-M690 HydrophobicContact CD1-CE 3.98Å; I80-M690 HydrophobicContact CD1-SD 4.3Å; I80-M690 HydrophobicContact CG2-CE 4.24Å; I80-T693 PolarHBondContact N-OG1 3.49Å
81	L	48	Very low	45.7	Very low	61 Å²	61	110.8 Å²	110.8	32%	0.319	59%	0.589	S	S	.	*			trans	-76.8	147.9	163.8	-52.3	-179.6	0	0	0	108.9	V79 T83 E84 S85 D694	V79-L81 HydrophobicContact CG1-CD2 4.28Å; L81-T83 WeakPolarHBondContact CB-OG1 3.49Å; L81-T83 PolarHBondContact O-N 3.39Å; L81-E84 HydrophobicContact CB-CB 4.22Å; L81-E84 HydrophobicContact CB-CG 4.38Å; L81-E84 WeakPolarHBondContact O-CA 3.25Å; L81-E84 WeakPolarHBondContact O-CB 3.3Å; L81-E84 PolarHBondContact O-N 3.44Å; L81-S85 PolarHBondContact O-N 2.79Å; L81-D694 HydrophobicContact CD2-CB 3.78Å
82	S	47.3	Very low	46.6	Very low	56 Å²	56	109 Å²	109	39%	0.392	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-56.6	-35.6	174.5	-176.1	0	0	0	0	111.9	E84 S85 A88 E640	S82-E84 VanDerWaalsContact C-N 3.25Å; S82-E84 PolarHBondContact O-N 3.23Å; S82-S85 WeakPolarHBondContact O-CB 3.41Å; S82-S85 PolarHBondContact O-N 3.32Å; S82-A88 WeakPolarHBondContact O-CB 3.25Å; S82-E640 WeakPolarHBondContact CA-OE2 3.3Å; S82-E640 WeakPolarHBondContact CB-OE2 3.32Å; S82-E640 PolarHBondContact OG-OE2 3.17Å
83	T	53.6	Low	47.8	Very low	88 Å²	88	103.5 Å²	103.5	54%	0.54	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-66.7	-18.2	172.5	51.6	0	0	0	0	114.7	L81	L81-T83 WeakPolarHBondContact CB-OG1 3.49Å; L81-T83 PolarHBondContact O-N 3.39Å
84	E	52.2	Low	48.7	Very low	74 Å²	74	104.1 Å²	104.1	35%	0.346	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-95.9	-5.6	-179.2	-86.5	-135	-131.4	0	0	114.4	K78 L81 S82 K89	K78-E84 IonicContact NZ-OE2 3.37Å; K78-E84 PolarHBondContact NZ-OE2 3.27Å; L81-E84 HydrophobicContact CB-CB 4.22Å; L81-E84 HydrophobicContact CB-CG 4.38Å; L81-E84 WeakPolarHBondContact O-CA 3.25Å; L81-E84 WeakPolarHBondContact O-CB 3.3Å; L81-E84 PolarHBondContact O-N 3.44Å; S82-E84 VanDerWaalsContact C-N 3.25Å; S82-E84 PolarHBondContact O-N 3.23Å; E84-K89 WeakPolarHBondContact O-CE 3.25Å; E84-K89 PolarHBondContact O-NZ 3.13Å; E84-K89 IonicContact OE2-NZ 2.66Å; E84-K89 PolarHBondContact OE2-NZ 3.1Å
85	S	60.2	Low	49.3	Very low	7 Å²	7	107.4 Å²	107.4	5%	0.049	56%	0.563	C	S	.	*	S	Bend	trans	-50	142.5	171.9	178.5	0	0	0	0	111.9	L81 S82 A87 A88 K89 E640	L81-S85 PolarHBondContact O-N 2.79Å; S82-S85 WeakPolarHBondContact O-CB 3.41Å; S82-S85 PolarHBondContact O-N 3.32Å; S85-A87 PolarHBondContact O-N 3.44Å; S85-A87 PolarHBondContact OG-N 2.74Å; S85-A88 PolarHBondContact O-N 3.45Å; S85-A88 VanDerWaalsContact O-N 3.11Å; S85-K89 PolarHBondContact O-N 3.38Å; S85-E640 PolarHBondContact OG-OE1 3.38Å
86	S	52.5	Low	49.6	Very low	101 Å²	101	106.2 Å²	106.2	71%	0.706	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-12.9	175.2	58.1	0	0	0	0	112.9	K90	S86-K90 WeakPolarHBondContact O-CG 3.28Å
87	A	51.3	Low	50	Low	24 Å²	24	105.3 Å²	105.3	20%	0.198	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-80.2	-48	165.6	0	0	0	0	0	111.6	S85 K89 K90 L91	S85-A87 PolarHBondContact O-N 3.44Å; S85-A87 PolarHBondContact OG-N 2.74Å; A87-K89 VanDerWaalsContact C-N 3.29Å; A87-K89 PolarHBondContact O-N 2.73Å; A87-K90 WeakPolarHBondContact O-CB 3.44Å; A87-K90 PolarHBondContact O-N 3.07Å; A87-L91 PolarHBondContact O-N 3.41Å
88	A	55.8	Low	50	Low	26 Å²	26	99.4 Å²	99.4	22%	0.215	53%	0.529	C	S	.	.	H	α-helix	trans	-57.2	-42.5	176.1	0	0	0	0	0	111.9	S82 S85 K90 L91 G92	S82-A88 WeakPolarHBondContact O-CB 3.25Å; S85-A88 PolarHBondContact O-N 3.45Å; S85-A88 VanDerWaalsContact O-N 3.11Å; A88-K90 PolarHBondContact O-N 3.41Å; A88-L91 PolarHBondContact O-N 3.21Å; A88-G92 PolarHBondContact O-N 3.4Å
89	K	55.6	Low	50	Low	110 Å²	110	101.8 Å²	101.8	48%	0.478	54%	0.54	S	S	.	.	H	α-helix	trans	-67.1	-12.8	175.4	-73.5	167.3	177.1	152.6	0	114.8	E84 S85 A87	E84-K89 WeakPolarHBondContact O-CE 3.25Å; E84-K89 PolarHBondContact O-NZ 3.13Å; E84-K89 IonicContact OE2-NZ 2.66Å; E84-K89 PolarHBondContact OE2-NZ 3.1Å; S85-K89 PolarHBondContact O-N 3.38Å; A87-K89 VanDerWaalsContact C-N 3.29Å; A87-K89 PolarHBondContact O-N 2.73Å
90	K	57.4	Low	50	Low	188 Å²	188	102.4 Å²	102.4	82%	0.817	55%	0.548	S	S	*	.	H	α-helix	trans	-89.1	-25.2	169.1	-78.4	-178.8	174.7	-173.8	0	113.5	S86 A87 A88	S86-K90 WeakPolarHBondContact O-CG 3.28Å; A87-K90 WeakPolarHBondContact O-CB 3.44Å; A87-K90 PolarHBondContact O-N 3.07Å; A88-K90 PolarHBondContact O-N 3.41Å
91	L	56	Low	49.8	Very low	163 Å²	163	105.7 Å²	105.7	85%	0.853	57%	0.565	S	S	*	*	H	α-helix	trans	-86	-24	175.9	-64.7	172	0	0	0	112	A87 A88	A87-L91 PolarHBondContact O-N 3.41Å; A88-L91 PolarHBondContact O-N 3.21Å
92	G	47	Very low	49.4	Very low	51 Å²	51	106 Å²	106	53%	0.526	58%	0.576	S	S	.	*			trans	96.1	138.5	168.9	0	0	0	0	0	113.7	A88	A88-G92 PolarHBondContact O-N 3.4Å
93	T	55.3	Low	49.1	Very low	84 Å²	84	109.7 Å²	109.7	52%	0.515	60%	0.597	S	S	.	*	S	Bend	trans	-106.2	9.3	-179.7	57	0	0	0	0	113.2
94	Y	48.6	Very low	48.2	Very low	208 Å²	208	111 Å²	111	82%	0.816	61%	0.609	S	S	*	*			trans	-138.2	115.2	-177.2	-61.5	-79.4	0	0	0	109.8
95	Q	46.5	Very low	47.3	Very low	188 Å²	188	112.1 Å²	112.1	88%	0.879	63%	0.625	S	S	*	*			trans	-74.2	124.7	162.6	-78.3	-177.9	-24.9	0	0	108.9	I97	Q95-I97 PolarHBondContact O-N 2.92Å
96	L	40.5	Very low	46	Very low	167 Å²	167	123 Å²	123	87%	0.874	67%	0.665	S	S	*	*			trans	-70.2	98.6	166.7	-73.1	170.8	0	0	0	108.3	P98	L96-P98 WeakPolarHBondContact O-CD 3.46Å
97	I	42.8	Very low	45.1	Very low	119 Å²	119	123.8 Å²	123.8	61%	0.61	67%	0.668	S	S	*	*			trans	-62.7	117.8	168.3	-60.1	177	0	0	0	107.3	Q95 L101	Q95-I97 PolarHBondContact O-N 2.92Å; I97-L101 HydrophobicContact CG2-CB 3.88Å
98	P	42.3	Very low	44.4	Very low	72 Å²	72	132.1 Å²	132.1	47%	0.468	70%	0.699	S	S	.	*			trans	-59.6	141.4	176.3	-23.9	35.8	0	0	0	110.3	L96 S100 L101	L96-P98 WeakPolarHBondContact O-CD 3.46Å; P98-S100 PolarHBondContact O-N 3.48Å; P98-L101 PolarHBondContact O-N 3.2Å
99	K	42.5	Very low	43	Very low	199 Å²	199	139 Å²	139	87%	0.865	73%	0.733	S	S	*	*	G	3₁₀ helix	trans	-59.5	-20.1	-178.3	-72.5	-176.9	176.6	178.5	0	113.6	L101 A102	K99-L101 PolarHBondContact O-N 3.08Å; K99-A102 PolarHBondContact O-N 3.23Å
100	S	47.3	Very low	41.7	Very low	102 Å²	102	143.9 Å²	143.9	71%	0.713	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-64.3	-20.7	170.9	45.8	0	0	0	0	114.4	P98	P98-S100 PolarHBondContact O-N 3.48Å
101	L	42.4	Very low	40.4	Very low	131 Å²	131	142.6 Å²	142.6	69%	0.686	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-96.9	0.1	175.5	-58.8	-175.7	0	0	0	113.4	I97 P98 K99	I97-L101 HydrophobicContact CG2-CB 3.88Å; P98-L101 PolarHBondContact O-N 3.2Å; K99-L101 PolarHBondContact O-N 3.08Å
102	A	40.9	Very low	39	Very low	67 Å²	67	141.4 Å²	141.4	55%	0.554	73%	0.734	S	S	*	*			trans	-110.7	81.5	-176.6	0	0	0	0	0	111.5	K99 S104	K99-A102 PolarHBondContact O-N 3.23Å; A102-S104 PolarHBondContact O-N 3.15Å
103	V	39.6	Very low	38	Very low	135 Å²	135	145.4 Å²	145.4	82%	0.818	75%	0.749	S	S	*	*			trans	-83.7	108.7	-177.9	-177.7	0	0	0	0	111.6
104	S	36.3	Very low	36.6	Very low	116 Å²	116	146.5 Å²	146.5	81%	0.811	76%	0.756	S	S	*	*			trans	-87.9	145.7	160.4	60.6	0	0	0	0	110.5	A102	A102-S104 PolarHBondContact O-N 3.15Å
105	S	32.8	Very low	35.5	Very low	97 Å²	97	142.9 Å²	142.9	68%	0.678	76%	0.755	S	S	*	*			trans	-108	134.4	-166.7	74.6	0	0	0	0	114.6
106	R	32.1	Very low	34.5	Very low	235 Å²	235	139.4 Å²	139.4	89%	0.887	75%	0.746	S	S	*	*			trans	76.2	157.9	165.1	-50.6	178	-179.7	-167.5	-0.3	116.1
107	P	34.5	Very low	33.7	Very low	117 Å²	117	137.5 Å²	137.5	76%	0.76	74%	0.742	S	S	*	*			cis	-136.7	154.8	-43.4	37	-21.8	0	0	0	115.4
108	K	35.5	Very low	32.9	Very low	199 Å²	199	141.2 Å²	141.2	87%	0.865	75%	0.754	S	S	*	*			trans	21.6	128.5	155	-66.7	-179.7	177.2	176.7	0	120.8
109	N	26.7	Very low	32.5	Very low	170 Å²	170	143.1 Å²	143.1	91%	0.909	77%	0.766	S	S	*	*				-152	169.2	121.6	-119	-25.5	0	0	0	113.4
110	R	28.6	Very low	31.7	Very low	213 Å²	213	140.3 Å²	140.3	80%	0.804	77%	0.765	S	S	*	*			trans	-99.4	170	-174.8	-94.7	179.3	163.9	173.8	-5.7	113.2
111	H	29.4	Very low	30.7	Very low	161 Å²	161	138.5 Å²	138.5	75%	0.745	76%	0.763	S	S	*	*			trans	141.4	144.8	142.7	-64.2	-47	0	0	0	108.9
112	H	26.9	Very low	29.8	Very low	138 Å²	138	139.3 Å²	139.3	64%	0.639	77%	0.767	S	S	*	*			cis	176.1	161.1	-17.9	-89.6	-32.1	0	0	0	107.6
113	T	26.5	Very low	29.1	Very low	135 Å²	135	143 Å²	143	83%	0.828	77%	0.773	S	S	*	*			trans	64.5	157.7	160.7	53.9	0	0	0	0	119.9
114	T	25.8	Very low	28.5	Very low	108 Å²	108	143 Å²	143	66%	0.663	77%	0.768	S	S	*	*			cis	-168.8	115.8	-25.2	-88.5	0	0	0	0	112.6
115	V	25.7	Very low	28.1	Very low	131 Å²	131	141.2 Å²	141.2	79%	0.794	76%	0.756	S	S	*	*			trans	66.2	178.1	145.2	-170.8	0	0	0	0	113.7
116	V	24.7	Very low	27.7	Very low	116 Å²	116	143.8 Å²	143.8	70%	0.703	76%	0.762	S	S	*	*			cis	-152.3	142.8	26.6	-148.4	0	0	0	0	115.2
117	T	24.7	Very low	27.6	Very low	126 Å²	126	136.8 Å²	136.8	77%	0.773	75%	0.749	S	S	*	*			trans	55.4	122.1	148	40	0	0	0	0	126.7
118	F	24.9	Very low	27.3	Very low	198 Å²	198	139.2 Å²	139.2	87%	0.868	75%	0.75	S	S	*	*			trans	-48.9	-179.9	141.1	-73.5	-79.3	0	0	0	115.1
119	P	34.5	Very low	27	Very low	112 Å²	112	134.1 Å²	134.1	73%	0.727	73%	0.732	S	S	*	*			cis	-158.1	163.9	33.8	45.1	-22	0	0	0	123.8
120	V	26.5	Very low	27.2	Very low	139 Å²	139	136.6 Å²	136.6	84%	0.842	73%	0.729	S	S	*	*			trans	60.8	138.7	133.9	174.2	0	0	0	0	124.3
121	G	25.6	Very low	27.2	Very low	64 Å²	64	130.5 Å²	130.5	66%	0.66	72%	0.719	S	S	*	*			trans	154.4	113.5	161	0	0	0	0	0	109.9
122	L	24.5	Very low	27.2	Very low	149 Å²	149	132.7 Å²	132.7	78%	0.78	72%	0.721	S	S	*	*				55.3	133.1	56.8	-84.1	79.7	0	0	0	112.8
123	E	25.8	Very low	27.4	Very low	145 Å²	145	133 Å²	133	68%	0.678	72%	0.722	S	S	*	*			cis	-164.5	166.2	8.9	-145	-177.3	-138.5	0	0	111.8
124	N	26.1	Very low	27.6	Very low	133 Å²	133	131.9 Å²	131.9	71%	0.711	72%	0.72	S	S	*	*			trans	55.3	160.3	147.6	-80.1	-30.2	0	0	0	121.6
125	S	28.1	Very low	27.8	Very low	80 Å²	80	130.7 Å²	130.7	56%	0.559	72%	0.721	S	S	*	*			cis	-167.8	167.7	-20.4	55.7	0	0	0	0	110.3
126	N	25.5	Very low	28	Very low	151 Å²	151	134.1 Å²	134.1	81%	0.807	73%	0.728	S	S	*	*			trans	66.2	155.4	152.8	-69.4	-7.8	0	0	0	119.7
127	S	29	Very low	28	Very low	88 Å²	88	132 Å²	132	62%	0.615	73%	0.731	S	S	*	*			cis	-173.4	154.3	-19.7	52.9	0	0	0	0	111.4
128	E	28.6	Very low	29.1	Very low	168 Å²	168	131.6 Å²	131.6	79%	0.785	73%	0.73	S	S	*	*			trans	67.7	158.6	151	-76.4	-168.6	-179.7	0	0	119.4
129	N	29.4	Very low	29.3	Very low	91 Å²	91	129.4 Å²	129.4	49%	0.487	73%	0.727	S	S	.	*			cis	-156.2	148.2	-9.2	-129.3	-36.5	0	0	0	112
130	R	30.6	Very low	29.2	Very low	223 Å²	223	131.2 Å²	131.2	84%	0.842	74%	0.736	S	S	*	*			trans	55.9	156.4	145.5	-74.6	159.2	-165.7	-146.5	-0.1	120.6
131	S	28.1	Very low	29.1	Very low	85 Å²	85	129.8 Å²	129.8	59%	0.594	73%	0.732	S	S	*	*			cis	-168.4	131.5	-13.1	166.5	0	0	0	0	112.2
132	R	30.4	Very low	29.2	Very low	206 Å²	206	132.6 Å²	132.6	78%	0.777	74%	0.741	S	S	*	*				29.2	148.2	127.2	-41.1	151.2	160.7	-149.3	1.4	119.7
133	H	30.1	Very low	29.3	Very low	146 Å²	146	134.3 Å²	134.3	68%	0.676	74%	0.738	S	S	*	*			cis	-162.3	148.7	43.2	-91.5	-71.3	0	0	0	110.4
134	S	30.2	Very low	29.5	Very low	111 Å²	111	133.1 Å²	133.1	78%	0.776	74%	0.736	S	S	*	*				71.8	140	83.8	-148.2	0	0	0	0	116.2
135	A	31.3	Very low	29.5	Very low	83 Å²	83	135.2 Å²	135.2	69%	0.686	74%	0.741	S	S	*	*			cis	-173.8	-176.9	-19.1	0	0	0	0	0	112.2
136	Q	29.4	Very low	29.7	Very low	202 Å²	202	140.7 Å²	140.7	94%	0.944	75%	0.751	S	S	*	*			trans	90.8	155.1	161.5	-62.8	-178.3	-28.3	0	0	121.7
137	G	25.6	Very low	29.8	Very low	73 Å²	73	141.4 Å²	141.4	75%	0.753	76%	0.755	S	S	*	*			trans	-117.5	-140.4	-177.4	0	0	0	0	0	113.1
138	P	47.8	Very low	30	Very low	116 Å²	116	141.7 Å²	141.7	75%	0.753	76%	0.757	S	S	*	*			cis	-141.1	-166.3	6.2	45.1	-25.4	0	0	0	116.8
139	D	27.5	Very low	30	Very low	152 Å²	152	141.1 Å²	141.1	81%	0.813	76%	0.759	S	S	*	*			trans	59.4	142.6	153.3	-71.6	-14.7	0	0	0	125.7
140	V	32.2	Very low	29.9	Very low	150 Å²	150	140.2 Å²	140.2	91%	0.909	77%	0.771	S	S	*	*				179.3	157.2	121.5	151.4	0	0	0	0	111.2
141	S	26.1	Very low	29.6	Very low	110 Å²	110	137.8 Å²	137.8	77%	0.769	78%	0.775	S	S	*	*			trans	-108.9	161.6	-166	179.7	0	0	0	0	115.7
142	S	27.6	Very low	29.5	Very low	122 Å²	122	136.9 Å²	136.9	85%	0.853	78%	0.779	S	S	*	*			trans	-156.6	158.4	144.3	-159.6	0	0	0	0	112.2
143	R	26.8	Very low	29.3	Very low	186 Å²	186	136.9 Å²	136.9	70%	0.702	79%	0.785	S	S	*	*			trans	-139	-174.8	-174.3	-161.8	-167.4	162.2	-178.4	-4.7	109.3
144	D	29.7	Very low	29.1	Very low	120 Å²	120	134.3 Å²	134.3	64%	0.642	79%	0.789	S	S	*	*			trans	90.5	143.6	158.3	-46.4	-38.3	0	0	0	115.1
145	E	26.1	Very low	29	Very low	176 Å²	176	137.2 Å²	137.2	82%	0.822	79%	0.788	S	S	*	*			cis	-147.8	-167	2.2	-139.7	164.6	-174	0	0	113.2
146	Y	31	Very low	28.9	Very low	196 Å²	196	144.8 Å²	144.8	77%	0.769	80%	0.799	S	S	*	*			trans	-89.8	164.5	-168.9	-71.2	-106.3	0	0	0	115
147	D	28.5	Very low	29	Very low	166 Å²	166	145.1 Å²	145.1	89%	0.888	79%	0.791	S	S	*	*				-161.1	173.4	114.7	-135.6	-28	0	0	0	113.7
148	S	33.1	Very low	29.4	Very low	93 Å²	93	149.2 Å²	149.2	65%	0.65	80%	0.796	S	S	*	*			trans	-122.9	-179.3	-164.8	-169.1	0	0	0	0	115.7
149	D	29.1	Very low	28.7	Very low	157 Å²	157	155.1 Å²	155.1	84%	0.84	80%	0.803	S	S	*	*			trans	77	152.7	161.9	-55.5	-4.1	0	0	0	117.9
150	G	26.3	Very low	29.4	Very low	71 Å²	71	159.8 Å²	159.8	73%	0.732	81%	0.81	S	S	*	*			cis	172.4	109	-8.2	0	0	0	0	0	114.4
151	D	25.6	Very low	29.6	Very low	172 Å²	172	159.1 Å²	159.1	92%	0.92	80%	0.801	S	S	*	*			trans	61.6	164.6	164.7	-152.8	7.4	0	0	0	120
152	G	25.4	Very low	30	Very low	66 Å²	66	162.4 Å²	162.4	68%	0.68	80%	0.801	S	S	*	*			trans	126	89.3	165	0	0	0	0	0	117.6
153	F	26.4	Very low	30.8	Very low	206 Å²	206	160.9 Å²	160.9	90%	0.904	79%	0.79	S	S	*	*			trans	-71.6	127.9	172.1	-93.7	-102.7	0	0	0	113.8
154	A	25	Very low	31.5	Very low	92 Å²	92	154.5 Å²	154.5	76%	0.76	77%	0.767	S	S	*	*			trans	-153.4	123.9	162.2	0	0	0	0	0	113.5	R156	A154-R156 PolarHBondContact O-N 3.44Å
155	F	29.4	Very low	32.1	Very low	173 Å²	173	157.2 Å²	157.2	76%	0.759	77%	0.768	S	S	*	*			trans	-67.2	126.1	178.3	-79.2	-89.8	0	0	0	113
156	R	27.7	Very low	32.9	Very low	241 Å²	241	151.3 Å²	151.3	91%	0.909	75%	0.75	S	S	*	*			trans	-136.7	90.6	161.4	-69.2	-166.6	-174.9	-90.4	5.1	112.5	A154	A154-R156 PolarHBondContact O-N 3.44Å
157	R	33.2	Very low	33.4	Very low	209 Å²	209	144.8 Å²	144.8	79%	0.789	74%	0.736	S	S	*	*			trans	-70.4	161.3	166.9	-68.9	179.6	171.4	121	-3.4	111
158	N	34	Very low	34.1	Very low	159 Å²	159	139 Å²	139	85%	0.85	71%	0.707	S	S	*	*			trans	60.2	66.9	167.4	-66.5	-5.2	0	0	0	119
159	R	32.3	Very low	34.5	Very low	241 Å²	241	138.9 Å²	138.9	91%	0.909	70%	0.702	S	S	*	*			trans	-133.4	19.6	158.1	-88.1	-160.4	174.8	-158.8	1.3	116.4
160	R	41.2	Very low	34.7	Very low	250 Å²	250	135.5 Å²	135.5	94%	0.943	69%	0.691	S	S	*	*	S	Bend	trans	-109.2	52	-176.2	-63.3	-172.6	-174.5	166.3	2.1	115.6
161	N	37.7	Very low	35.2	Very low	135 Å²	135	139.2 Å²	139.2	72%	0.722	69%	0.693	S	S	*	*	S	Bend	trans	-158.1	29	160.1	-138.5	-15	0	0	0	116.1
162	K	34.8	Very low	35.9	Very low	179 Å²	179	137.5 Å²	137.5	78%	0.778	68%	0.684	S	S	*	*	S	Bend	trans	-93.8	-24.9	-180	-80.5	-163.8	172.4	-168.1	0	115.1	A166	K162-A166 WeakPolarHBondContact O-CB 3.44Å; K162-A166 PolarHBondContact O-N 3.49Å
163	S	43.3	Very low	36.4	Very low	90 Å²	90	141.1 Å²	141.1	63%	0.629	69%	0.686	S	S	*	*	H	α-helix	trans	-63.8	-50.6	-174.3	44.4	0	0	0	0	113.1	R165 A166 A167	S163-R165 PolarHBondContact O-N 2.96Å; S163-A166 PolarHBondContact O-N 2.81Å; S163-A167 PolarHBondContact O-N 3.19Å
164	Y	42	Very low	36.6	Very low	52 Å²	52	138 Å²	138	20%	0.204	68%	0.679	C	S	.	*	H	α-helix	trans	-62.6	-45.5	-178.3	-165.1	-93.8	0	0	0	111.7	A166 A167 V168 F391 M480	Y164-A166 VanDerWaalsContact C-N 3.32Å; Y164-A166 PolarHBondContact O-N 2.97Å; Y164-A167 PolarHBondContact O-N 2.86Å; Y164-V168 HydrophobicContact CD1-CG2 4.2Å; Y164-V168 HydrophobicContact CE1-CG2 3.96Å; Y164-V168 WeakPolarHBondContact O-CB 3.27Å; Y164-V168 VanDerWaalsContact O-CG2 3.3Å; Y164-V168 WeakPolarHBondContact O-CG2 3.34Å; Y164-V168 PolarHBondContact O-N 2.85Å; Y164-V168 VanDerWaalsContact O-N 3.1Å; Y164-F391 WeakPolarHBondContact OH-CE2 3.34Å; Y164-F391 VanDerWaalsContact OH-CZ 3.24Å; Y164-F391 WeakPolarHBondContact OH-CZ 3.22Å; Y164-M480 HydrophobicContact CE1-SD 4.45Å
165	R	42.6	Very low	37.1	Very low	177 Å²	177	137 Å²	137	67%	0.668	67%	0.67	S	S	*	*	H	α-helix	trans	-62.2	-37	175.6	-169.2	173.3	-177.1	162.6	3.5	112.6	S163 T169	S163-R165 PolarHBondContact O-N 2.96Å; R165-T169 WeakPolarHBondContact O-CG2 3.37Å; R165-T169 PolarHBondContact O-N 3.37Å; R165-T169 PolarHBondContact O-OG1 3.16Å
166	A	41.6	Very low	37.3	Very low	53 Å²	53	137.3 Å²	137.3	44%	0.438	68%	0.676	S	S	.	*	H	α-helix	trans	-65.8	-47.9	175.9	0	0	0	0	0	111.9	K162 S163 Y164 V168 T169 S170	K162-A166 WeakPolarHBondContact O-CB 3.44Å; K162-A166 PolarHBondContact O-N 3.49Å; S163-A166 PolarHBondContact O-N 2.81Å; Y164-A166 VanDerWaalsContact C-N 3.32Å; Y164-A166 PolarHBondContact O-N 2.97Å; A166-V168 PolarHBondContact O-N 3.31Å; A166-T169 WeakPolarHBondContact CA-OG1 3.49Å; A166-T169 PolarHBondContact O-N 3.13Å; A166-T169 PolarHBondContact O-OG1 2.94Å; A166-T169 VanDerWaalsContact O-OG1 3.09Å; A166-S170 PolarHBondContact O-N 2.73Å
167	A	42.6	Very low	37.7	Very low	58 Å²	58	131.4 Å²	131.4	48%	0.479	67%	0.668	S	S	.	*	H	α-helix	trans	-63.1	-26.5	178.4	0	0	0	0	0	113.7	S163 Y164	S163-A167 PolarHBondContact O-N 3.19Å; Y164-A167 PolarHBondContact O-N 2.86Å
168	V	42.5	Very low	37.5	Very low	46 Å²	46	127 Å²	127	28%	0.279	67%	0.668	S	S	.	*	H	α-helix	trans	-85.6	-12.3	177	173.2	0	0	0	0	112.9	Y164 A166 Y487	Y164-V168 HydrophobicContact CD1-CG2 4.2Å; Y164-V168 HydrophobicContact CE1-CG2 3.96Å; Y164-V168 WeakPolarHBondContact O-CB 3.27Å; Y164-V168 VanDerWaalsContact O-CG2 3.3Å; Y164-V168 WeakPolarHBondContact O-CG2 3.34Å; Y164-V168 PolarHBondContact O-N 2.85Å; Y164-V168 VanDerWaalsContact O-N 3.1Å; A166-V168 PolarHBondContact O-N 3.31Å; V168-Y487 HydrophobicContact CG1-CD1 4.45Å; V168-Y487 HydrophobicContact CG1-CD2 3.87Å; V168-Y487 HydrophobicContact CG1-CE1 4.01Å; V168-Y487 HydrophobicContact CG1-CE2 3.36Å; V168-Y487 HydrophobicContact CG1-CG 4.38Å; V168-Y487 VanDerWaalsContact CG1-CZ 3.41Å; V168-Y487 PolarHBondContact O-OH 3.27Å; V168-Y487 VanDerWaalsContact O-OH 3.07Å
169	T	41.6	Very low	37.3	Very low	90 Å²	90	123 Å²	123	55%	0.552	67%	0.665	S	S	*	*	H	α-helix	trans	-110.7	-9.3	179.4	47.8	0	0	0	0	114.7	R165 A166 L171	R165-T169 WeakPolarHBondContact O-CG2 3.37Å; R165-T169 PolarHBondContact O-N 3.37Å; R165-T169 PolarHBondContact O-OG1 3.16Å; A166-T169 WeakPolarHBondContact CA-OG1 3.49Å; A166-T169 PolarHBondContact O-N 3.13Å; A166-T169 PolarHBondContact O-OG1 2.94Å; A166-T169 VanDerWaalsContact O-OG1 3.09Å; T169-L171 PolarHBondContact O-N 3.33Å
170	S	32.8	Very low	37.1	Very low	86 Å²	86	118.6 Å²	118.6	60%	0.601	67%	0.665	S	S	*	*			trans	-81.5	48.1	-176.2	64.8	0	0	0	0	114.3	A166	A166-S170 PolarHBondContact O-N 2.73Å
171	L	36.7	Very low	36.7	Very low	149 Å²	149	110.9 Å²	110.9	78%	0.78	66%	0.655	S	S	*	*	S	Bend	trans	-140.1	115.3	171.2	-73.3	175.4	0	0	0	109.9	T169	T169-L171 PolarHBondContact O-N 3.33Å
172	D	41.7	Very low	36.4	Very low	136 Å²	136	110.6 Å²	110.6	73%	0.727	66%	0.66	S	S	*	*			trans	34.4	98.8	169.3	-64.5	-40	0	0	0	119.2	A175	D172-A175 HydrophobicContact CB-CB 4.33Å
173	I	34.6	Very low	36.4	Very low	141 Å²	141	110.9 Å²	110.9	72%	0.723	66%	0.662	S	S	*	*	S	Bend	trans	-118.6	-40.7	152.7	-67.3	179.6	0	0	0	110.1	A175	I173-A175 VanDerWaalsContact C-N 3.26Å; I173-A175 PolarHBondContact O-N 3.26Å
174	D	31.6	Very low	36	Very low	140 Å²	140	113 Å²	113	75%	0.749	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-73	-13	-174.8	-56.9	-38.9	0	0	0	114.4	M176	D174-M176 VanDerWaalsContact C-N 3.31Å; D174-M176 PolarHBondContact O-N 2.96Å
175	A	34.4	Very low	35.3	Very low	71 Å²	71	116.1 Å²	116.1	59%	0.587	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-78.1	-5.2	-177.6	0	0	0	0	0	115	D172 I173	D172-A175 HydrophobicContact CB-CB 4.33Å; I173-A175 VanDerWaalsContact C-N 3.26Å; I173-A175 PolarHBondContact O-N 3.26Å
176	M	34.3	Very low	34.6	Very low	180 Å²	180	115 Å²	115	89%	0.887	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-111.9	3	-177.2	-72.1	-164.1	174.9	0	0	115.2	D174	D174-M176 VanDerWaalsContact C-N 3.31Å; D174-M176 PolarHBondContact O-N 2.96Å
177	T	35.4	Very low	33.8	Very low	118 Å²	118	121.8 Å²	121.8	72%	0.724	72%	0.724	S	S	*	*	S	Bend	trans	-119.6	25.5	-170.8	51.7	0	0	0	0	115.3
178	S	30.5	Very low	33.1	Very low	115 Å²	115	124.3 Å²	124.3	80%	0.804	74%	0.738	S	S	*	*			trans	-146.8	141.4	160.2	61.8	0	0	0	0	111.6
179	G	30.2	Very low	32.2	Very low	76 Å²	76	129.2 Å²	129.2	78%	0.784	77%	0.768	S	S	*	*			trans	-142.2	109.4	-176	0	0	0	0	0	112.4
180	T	28.1	Very low	31.5	Very low	148 Å²	148	131.6 Å²	131.6	91%	0.908	78%	0.778	S	S	*	*			trans	-150.6	133.9	163.7	-42.2	0	0	0	0	108.9
181	A	31	Very low	31.4	Very low	89 Å²	89	135 Å²	135	74%	0.736	78%	0.784	S	S	*	*			trans	-91.6	165.1	177.4	0	0	0	0	0	111.5
182	P	33.2	Very low	30.9	Very low	128 Å²	128	135.5 Å²	135.5	83%	0.831	79%	0.787	S	S	*	*				-140.8	172.1	99.7	37.2	-23.9	0	0	0	115.1
183	K	33	Very low	30.2	Very low	185 Å²	185	140.2 Å²	140.2	80%	0.804	80%	0.795	S	S	*	*			trans	-89.3	164.4	171.3	-63.6	179.4	178.7	176.5	0	111.1
184	P	34.9	Very low	29.7	Very low	135 Å²	135	142.2 Å²	142.2	88%	0.877	80%	0.801	S	S	*	*				-134.7	179.8	103.7	36.7	-26	0	0	0	114.8
185	T	28.4	Very low	29.4	Very low	117 Å²	117	140.8 Å²	140.8	72%	0.718	80%	0.802	S	S	*	*			trans	-110.6	159.7	-169.4	48	0	0	0	0	114.2
186	L	26.7	Very low	29.1	Very low	154 Å²	154	143 Å²	143	81%	0.806	81%	0.813	S	S	*	*			trans	152.2	146.5	142.3	-84.1	164.9	0	0	0	107.9
187	K	25	Very low	29	Very low	195 Å²	195	140.7 Å²	140.7	85%	0.848	81%	0.812	S	S	*	*			cis	-174.2	167.4	-22.4	-129.8	-172	-173.1	-178.9	0	104.3
188	S	28.7	Very low	28.4	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	81%	0.811	S	S	*	*			trans	-99.2	154.8	-170.1	53.7	0	0	0	0	115.4
189	V	22.9	Very low	29.1	Very low	149 Å²	149	139 Å²	139	90%	0.903	81%	0.813	S	S	*	*			trans	-133.1	152.9	160.9	-178.5	0	0	0	0	108.3
190	N	27.2	Very low	28.9	Very low	140 Å²	140	141.1 Å²	141.1	75%	0.749	82%	0.815	S	S	*	*			trans	-145.9	169.4	-173.1	-164.6	26.6	0	0	0	111.1
191	E	30.1	Very low	28.7	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	81%	0.814	S	S	*	*			trans	71.1	139	174.7	-49.6	-173.6	140.2	0	0	114.7
192	N	26	Very low	28.5	Very low	159 Å²	159	143.3 Å²	143.3	85%	0.85	82%	0.817	S	S	*	*			cis	-144.4	-170.1	48.9	-94.7	-81.4	0	0	0	115.1
193	R	27.2	Very low	28.2	Very low	235 Å²	235	142.2 Å²	142.2	89%	0.887	81%	0.812	S	S	*	*			trans	-133.1	-177.3	-162.9	-161.2	177.5	-178.7	-176.9	0	111.8
194	E	24.9	Very low	27.9	Very low	183 Å²	183	143.6 Å²	143.6	86%	0.855	81%	0.813	S	S	*	*			trans	87	148.6	171.9	-58.9	-168.7	176.8	0	0	116.4
195	S	24.7	Very low	27.6	Very low	111 Å²	111	146.5 Å²	146.5	78%	0.776	81%	0.814	S	S	*	*			cis	-153.6	169.3	-12	40.9	0	0	0	0	111.4
196	S	29.6	Very low	27.6	Very low	116 Å²	116	149.4 Å²	149.4	81%	0.811	82%	0.817	S	S	*	*			trans	-104.1	166.3	-177.4	-49.4	0	0	0	0	113.3
197	P	30.5	Very low	27.5	Very low	133 Å²	133	154 Å²	154	86%	0.864	82%	0.823	S	S	*	*				-143.6	172.5	116.5	38.3	-25.1	0	0	0	115.6
198	G	23.4	Very low	27.6	Very low	68 Å²	68	150.4 Å²	150.4	70%	0.701	82%	0.823	S	S	*	*			trans	-131.9	-144.6	163.2	0	0	0	0	0	108.9
199	P	45.3	Very low	27.4	Very low	130 Å²	130	153.4 Å²	153.4	84%	0.844	83%	0.829	S	S	*	*			cis	-135.9	-179.8	-15.3	42.6	-26.9	0	0	0	113.7
200	S	25.5	Very low	27.5	Very low	120 Å²	120	149.8 Å²	149.8	84%	0.839	82%	0.822	S	S	*	*			trans	-157.1	163.8	154.3	67	0	0	0	0	112.4
201	L	24.6	Very low	27.7	Very low	168 Å²	168	155.4 Å²	155.4	88%	0.88	83%	0.833	S	S	*	*			trans	-135.1	150.8	-165.4	-76.1	158.2	0	0	0	113.5
202	S	25.8	Very low	27.5	Very low	115 Å²	115	157.7 Å²	157.7	80%	0.804	84%	0.84	S	S	*	*			trans	131.7	150.2	131.7	70.3	0	0	0	0	115.4
203	S	27.4	Very low	27.4	Very low	104 Å²	104	160.6 Å²	160.6	73%	0.727	84%	0.839	S	S	*	*			cis	-159.5	153	-32.2	65.8	0	0	0	0	113.1
204	R	26.8	Very low	27.2	Very low	214 Å²	214	157 Å²	157	81%	0.808	84%	0.837	S	S	*	*			trans	45.7	127.3	152.7	-69.6	-179.1	177.2	-177.8	2.4	121
205	H	28.2	Very low	27.2	Very low	197 Å²	197	156.3 Å²	156.3	91%	0.912	83%	0.834	S	S	*	*				-144.9	161.7	98.7	-107.5	-85.7	0	0	0	110.6
206	K	28.6	Very low	27.1	Very low	178 Å²	178	162.6 Å²	162.6	77%	0.774	84%	0.841	S	S	*	*			trans	-113.5	147.1	-174.3	-64.8	-178.7	177.4	-177.4	0	112.1
207	R	26.2	Very low	26.9	Very low	250 Å²	250	160.6 Å²	160.6	94%	0.943	84%	0.839	S	S	*	*				-168.3	143.6	128.9	-107.8	163.7	-173.8	-179.8	2	114.3
208	S	25.8	Very low	26.6	Very low	119 Å²	119	159.7 Å²	159.7	83%	0.832	84%	0.836	S	S	*	*			trans	16.3	137.8	165.7	-146.5	0	0	0	0	122.7
209	L	25.2	Very low	26.8	Very low	175 Å²	175	166.1 Å²	166.1	92%	0.916	85%	0.845	S	S	*	*			trans	-77.8	148.2	164.4	-69.8	166.8	0	0	0	112
210	G	24.3	Very low	26.1	Very low	73 Å²	73	167.2 Å²	167.2	75%	0.753	84%	0.836	S	S	*	*			trans	-141.5	117.7	165.3	0	0	0	0	0	109.6	K212	G210-K212 PolarHBondContact O-N 3.01Å
211	R	31.1	Very low	26.6	Very low	259 Å²	259	168.7 Å²	168.7	98%	0.977	84%	0.835	S	S	*	*			trans	-61.6	120.2	-172	-118.8	177.5	177	176	-1.6	111.4
212	K	25.8	Very low	26.8	Very low	205 Å²	205	165 Å²	165	89%	0.891	83%	0.828	S	S	*	*			trans	-114.9	137.8	154.7	-95.8	-171.8	174.3	-177.4	0	110.5	G210	G210-K212 PolarHBondContact O-N 3.01Å
213	R	24.4	Very low	27.4	Very low	219 Å²	219	164.4 Å²	164.4	83%	0.826	82%	0.82	S	S	*	*			trans	-89.1	116.4	-175.2	166.5	179.7	167	-173	-4.3	108.7	Q215	R213-Q215 PolarHBondContact O-N 3Å; R213-Q215 VanDerWaalsContact O-N 3.09Å
214	N	22.4	Very low	27.8	Very low	159 Å²	159	163.5 Å²	163.5	85%	0.85	81%	0.812	S	S	*	*			trans	-66.4	107.3	174.6	-72.9	-11.5	0	0	0	110
215	Q	24.9	Very low	28.4	Very low	170 Å²	170	157.4 Å²	157.4	79%	0.794	80%	0.801	S	S	*	*			trans	-84.6	120.7	156.2	-77.4	177	-38.9	0	0	107.8	R213	R213-Q215 PolarHBondContact O-N 3Å; R213-Q215 VanDerWaalsContact O-N 3.09Å
216	R	23.1	Very low	28.7	Very low	242 Å²	242	152.4 Å²	152.4	91%	0.913	78%	0.781	S	S	*	*			trans	-92.6	129	169.2	-87.6	-176	166.2	-175.7	-4.4	108.9
217	G	25	Very low	29.1	Very low	75 Å²	75	144.9 Å²	144.9	77%	0.773	75%	0.747	S	S	*	*			trans	40.3	85.4	154.2	0	0	0	0	0	118.5
218	S	24.5	Very low	29.9	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	72%	0.718	S	S	*	*			trans	-86.8	118.8	147.7	-177.3	0	0	0	0	107.8	K220	S218-K220 PolarHBondContact O-N 3.22Å
219	F	27.5	Very low	30.3	Very low	203 Å²	203	134.2 Å²	134.2	89%	0.89	70%	0.695	S	S	*	*			trans	-89.2	90.6	-175.9	-133.4	-85.5	0	0	0	110.3
220	K	32.2	Very low	31	Very low	153 Å²	153	128.1 Å²	128.1	67%	0.665	66%	0.663	S	S	*	*			trans	-160.3	167.1	170.5	-98.4	127.6	-170.3	172.4	0	110.6	S218	S218-K220 PolarHBondContact O-N 3.22Å
221	D	34.7	Very low	31.7	Very low	152 Å²	152	130.3 Å²	130.3	81%	0.813	65%	0.648	S	S	*	*	S	Bend	trans	63.4	57.6	161.8	-48	-24.4	0	0	0	117.5
222	A	28.7	Very low	32	Very low	90 Å²	90	121.6 Å²	121.6	74%	0.744	62%	0.619	S	S	*	*	S	Bend	trans	-147.6	17.5	164.1	0	0	0	0	0	114.8
223	T	37.7	Very low	32.4	Very low	103 Å²	103	118.5 Å²	118.5	63%	0.632	60%	0.602	S	S	*	*	S	Bend	trans	-152.2	34.6	-174.8	-23.6	0	0	0	0	118.9
224	P	37.4	Very low	32.9	Very low	85 Å²	85	109.4 Å²	109.4	55%	0.552	58%	0.576	S	S	*	*	S	Bend	trans	-84.1	-36.4	157.1	-10.4	27.2	0	0	0	112.4	L226 Q228	P224-L226 PolarHBondContact O-N 3.15Å; P224-Q228 PolarHBondContact O-N 2.62Å
225	C	39.7	Very low	33.6	Very low	85 Å²	85	106.7 Å²	106.7	57%	0.574	56%	0.561	S	S	*	*	H	α-helix	trans	-61.3	-49.8	-157	-53	0	0	0	0	113.9	Y227 Q228 E229	C225-Y227 VanDerWaalsContact C-N 3.35Å; C225-Y227 PolarHBondContact O-N 3.02Å; C225-Q228 PolarHBondContact O-N 3.42Å; C225-Q228 VanDerWaalsContact O-N 3.13Å; C225-E229 WeakPolarHBondContact O-CB 3.48Å; C225-E229 PolarHBondContact O-N 3.36Å
226	L	32.9	Very low	33.8	Very low	93 Å²	93	104 Å²	104	49%	0.487	55%	0.552	S	S	.	*	H	α-helix	trans	-58.4	-42.5	-167.3	-158.6	85.4	0	0	0	113.2	P224 I230 L425	P224-L226 PolarHBondContact O-N 3.15Å; L226-I230 HydrophobicContact CD2-CD1 4.28Å; L226-I230 HydrophobicContact CG-CD1 4.06Å; L226-I230 WeakPolarHBondContact O-CB 3.4Å; L226-I230 WeakPolarHBondContact O-CD1 3.34Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 3.05Å; L226-L425 HydrophobicContact CD2-CD2 4.35Å
227	Y	38	Very low	34.1	Very low	19 Å²	19	97 Å²	97	8%	0.075	54%	0.54	C	S	.	.	H	α-helix	trans	-80.7	-30.1	179.5	-98.8	-116.9	0	0	0	113.2	C225 R231 E389 Q393 L425 I429	C225-Y227 VanDerWaalsContact C-N 3.35Å; C225-Y227 PolarHBondContact O-N 3.02Å; Y227-R231 VanDerWaalsContact O-CB 3.23Å; Y227-R231 WeakPolarHBondContact O-CB 3.3Å; Y227-R231 PolarHBondContact O-N 3.07Å; Y227-E389 HydrophobicContact CD1-CG 3.96Å; Y227-E389 WeakPolarHBondContact CD1-OE1 3.15Å; Y227-E389 VanDerWaalsContact CE1-CD 3.46Å; Y227-E389 HydrophobicContact CE1-CG 3.66Å; Y227-Q393 HydrophobicContact CD2-CG 4.22Å; Y227-Q393 HydrophobicContact CE1-CG 4.49Å; Y227-Q393 HydrophobicContact CE2-CG 3.89Å; Y227-L425 HydrophobicContact CE2-CD1 3.92Å; Y227-L425 WeakPolarHBondContact OH-CD1 3.37Å; Y227-I429 HydrophobicContact CD1-CD1 3.66Å; Y227-I429 HydrophobicContact CE1-CB 4.24Å; Y227-I429 HydrophobicContact CE1-CD1 3.37Å; Y227-I429 HydrophobicContact CE1-CG1 4.31Å
228	Q	42.2	Very low	34.4	Very low	71 Å²	71	97.7 Å²	97.7	33%	0.332	53%	0.529	S	S	.	.	H	α-helix	trans	-66.9	-41.2	170	-173.8	176.5	-26.8	0	0	111	P224 C225 R231 E232	P224-Q228 PolarHBondContact O-N 2.62Å; C225-Q228 PolarHBondContact O-N 3.42Å; C225-Q228 VanDerWaalsContact O-N 3.13Å; Q228-R231 WeakPolarHBondContact O-CB 3.41Å; Q228-R231 PolarHBondContact O-N 3.25Å; Q228-E232 WeakPolarHBondContact CG-OE1 3.44Å; Q228-E232 PolarHBondContact NE2-OE1 2.99Å; Q228-E232 WeakPolarHBondContact O-CB 3.4Å; Q228-E232 VanDerWaalsContact O-CG 3.3Å; Q228-E232 WeakPolarHBondContact O-CG 3.48Å; Q228-E232 PolarHBondContact O-N 3.46Å
229	E	35.4	Very low	34.7	Very low	74 Å²	74	101.4 Å²	101.4	35%	0.346	53%	0.534	S	S	.	.	H	α-helix	trans	-69	-30.9	177.7	-164.8	-176.6	172.2	0	0	112	C225 R233	C225-E229 WeakPolarHBondContact O-CB 3.48Å; C225-E229 PolarHBondContact O-N 3.36Å; E229-R233 VanDerWaalsContact CD-NH1 3.25Å; E229-R233 VanDerWaalsContact O-CB 3.3Å; E229-R233 WeakPolarHBondContact O-CB 3.33Å; E229-R233 WeakPolarHBondContact O-CG 3.36Å; E229-R233 PolarHBondContact O-N 2.78Å; E229-R233 IonicContact OE1-CZ 3.14Å; E229-R233 IonicContact OE1-NH1 3.79Å; E229-R233 PolarHBondContact OE1-NH1 3.46Å; E229-R233 IonicContact OE1-NH2 3.47Å; E229-R233 PolarHBondContact OE1-NH2 3.3Å
230	I	39.2	Very low	34.7	Very low	47 Å²	47	100.6 Å²	100.6	24%	0.241	53%	0.533	C	S	.	.	H	α-helix	trans	-77.3	-34.3	170	-70.8	164.7	0	0	0	112	L226 E232 G234 I429	L226-I230 HydrophobicContact CD2-CD1 4.28Å; L226-I230 HydrophobicContact CG-CD1 4.06Å; L226-I230 WeakPolarHBondContact O-CB 3.4Å; L226-I230 WeakPolarHBondContact O-CD1 3.34Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 3.05Å; I230-E232 VanDerWaalsContact C-N 3.29Å; I230-G234 PolarHBondContact O-N 2.81Å; I230-I429 HydrophobicContact CG2-CD1 4.16Å; I230-I429 HydrophobicContact CG2-CG1 3.94Å
231	R	39.7	Very low	34.7	Very low	119 Å²	119	101.1 Å²	101.1	45%	0.449	54%	0.543	S	S	.	.	H	α-helix	trans	-64.3	-36.2	171	-179.5	-176	-178.2	177.8	5.1	111.2	Y227 Q228 N474	Y227-R231 VanDerWaalsContact O-CB 3.23Å; Y227-R231 WeakPolarHBondContact O-CB 3.3Å; Y227-R231 PolarHBondContact O-N 3.07Å; Q228-R231 WeakPolarHBondContact O-CB 3.41Å; Q228-R231 PolarHBondContact O-N 3.25Å; R231-N474 PolarHBondContact NH1-OD1 3.36Å; R231-N474 PolarHBondContact NH2-OD1 3.09Å
232	E	36.4	Very low	34.6	Very low	76 Å²	76	103.2 Å²	103.2	36%	0.355	55%	0.548	S	S	.	.	H	α-helix	trans	-78	-48	177.8	-71	166.6	177.9	0	0	110.3	Q228 I230 G234 L235 R656	Q228-E232 WeakPolarHBondContact CG-OE1 3.44Å; Q228-E232 PolarHBondContact NE2-OE1 2.99Å; Q228-E232 WeakPolarHBondContact O-CB 3.4Å; Q228-E232 VanDerWaalsContact O-CG 3.3Å; Q228-E232 WeakPolarHBondContact O-CG 3.48Å; Q228-E232 PolarHBondContact O-N 3.46Å; I230-E232 VanDerWaalsContact C-N 3.29Å; E232-G234 VanDerWaalsContact C-N 3.27Å; E232-G234 PolarHBondContact O-N 3.43Å; E232-L235 WeakPolarHBondContact O-CB 3.41Å; E232-L235 WeakPolarHBondContact O-CG 3.28Å; E232-L235 PolarHBondContact O-N 2.77Å; E232-R656 IonicContact OE1-CZ 3.61Å; E232-R656 IonicContact OE1-NH1 2.68Å; E232-R656 PolarHBondContact OE1-NH1 3.47Å; E232-R656 IonicContact OE1-NH2 2.7Å; E232-R656 PolarHBondContact OE1-NH2 2.89Å
233	R	35.4	Very low	34.8	Very low	141 Å²	141	107 Å²	107	53%	0.532	56%	0.555	S	S	.	*	H	α-helix	trans	-67.4	-18.2	173.9	-75	-171.5	-177	111.5	16.9	115.6	E229 L235 D236 S237	E229-R233 VanDerWaalsContact CD-NH1 3.25Å; E229-R233 VanDerWaalsContact O-CB 3.3Å; E229-R233 WeakPolarHBondContact O-CB 3.33Å; E229-R233 WeakPolarHBondContact O-CG 3.36Å; E229-R233 PolarHBondContact O-N 2.78Å; E229-R233 IonicContact OE1-CZ 3.14Å; E229-R233 IonicContact OE1-NH1 3.79Å; E229-R233 PolarHBondContact OE1-NH1 3.46Å; E229-R233 IonicContact OE1-NH2 3.47Å; E229-R233 PolarHBondContact OE1-NH2 3.3Å; R233-L235 PolarHBondContact O-N 3.23Å; R233-L235 VanDerWaalsContact O-N 3.14Å; R233-D236 PolarHBondContact O-N 2.85Å; R233-S237 PolarHBondContact O-OG 2.98Å
234	G	34.5	Very low	34.4	Very low	28 Å²	28	110.2 Å²	110.2	29%	0.289	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.5	-14	174	0	0	0	0	0	113.6	I230 E232	I230-G234 PolarHBondContact O-N 2.81Å; E232-G234 VanDerWaalsContact C-N 3.27Å; E232-G234 PolarHBondContact O-N 3.43Å
235	L	35.9	Very low	34.1	Very low	101 Å²	101	115.7 Å²	115.7	53%	0.529	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86	-36.1	175.7	-53.9	175.5	0	0	0	112.4	E232 R233 S237 L440	E232-L235 WeakPolarHBondContact O-CB 3.41Å; E232-L235 WeakPolarHBondContact O-CG 3.28Å; E232-L235 PolarHBondContact O-N 2.77Å; R233-L235 PolarHBondContact O-N 3.23Å; R233-L235 VanDerWaalsContact O-N 3.14Å; L235-S237 PolarHBondContact O-N 3.41Å; L235-L440 HydrophobicContact CD2-CD1 3.63Å
236	D	28.9	Very low	33.5	Very low	115 Å²	115	118.8 Å²	118.8	62%	0.615	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-13.2	-166.3	-58.7	-39.4	0	0	0	114.5	R233 T238	R233-D236 PolarHBondContact O-N 2.85Å; D236-T238 PolarHBondContact O-N 2.75Å
237	S	29.3	Very low	33.5	Very low	94 Å²	94	124 Å²	124	66%	0.657	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	23.2	-166.4	-59	0	0	0	0	115.2	R233 L235	R233-S237 PolarHBondContact O-OG 2.98Å; L235-S237 PolarHBondContact O-N 3.41Å
238	T	32.3	Very low	32.9	Very low	90 Å²	90	129 Å²	129	55%	0.552	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.8	13.6	179	-29.4	0	0	0	0	114.9	D236 R437	D236-T238 PolarHBondContact O-N 2.75Å; T238-R437 PolarHBondContact OG1-NH1 3.49Å; T238-R437 PolarHBondContact OG1-NH2 3.26Å
239	Q	30.7	Very low	32.7	Very low	190 Å²	190	132.6 Å²	132.6	89%	0.888	67%	0.674	S	S	*	*	S	Bend	trans	-131	43.8	180	-72.4	-163.8	-11.9	0	0	114.7
240	Q	27.5	Very low	32.3	Very low	186 Å²	186	134.9 Å²	134.9	87%	0.869	69%	0.693	S	S	*	*	S	Bend	trans	-142.8	46.4	173.7	-161.1	151.8	51.4	0	0	114
241	D	31.7	Very low	31.7	Very low	165 Å²	165	141.6 Å²	141.6	88%	0.882	72%	0.721	S	S	*	*	S	Bend	trans	-143.6	2.4	171.2	-108.6	-24	0	0	0	114.6
242	E	32.2	Very low	31.3	Very low	195 Å²	195	141.5 Å²	141.5	91%	0.911	74%	0.736	S	S	*	*	S	Bend	trans	-96.2	18.6	-175	-93.2	-161.5	163	0	0	115.6
243	L	33	Very low	31.1	Very low	169 Å²	169	143.8 Å²	143.8	89%	0.885	76%	0.757	S	S	*	*	S	Bend	trans	-132.7	30.9	-177.2	-78.7	179.6	0	0	0	116
244	L	30	Very low	30.7	Very low	171 Å²	171	141.8 Å²	141.8	90%	0.895	77%	0.77	S	S	*	*			trans	-145.7	67.3	163.1	-75.8	-176.9	0	0	0	112.7
245	E	30.9	Very low	30.6	Very low	201 Å²	201	148.4 Å²	148.4	94%	0.939	79%	0.794	S	S	*	*			trans	-97.1	101.4	152.3	-78.7	-152.9	158.7	0	0	109.8
246	D	26.9	Very low	30.3	Very low	150 Å²	150	151.3 Å²	151.3	80%	0.802	81%	0.81	S	S	*	*			trans	-142.5	143	159.4	-145.5	-16.5	0	0	0	108.9	V248	D246-V248 PolarHBondContact O-N 3.49Å
247	F	33.3	Very low	30.4	Very low	201 Å²	201	152.6 Å²	152.6	88%	0.882	81%	0.812	S	S	*	*			trans	-73.3	117.7	-156.5	-85	-111.6	0	0	0	114.6
248	V	25.4	Very low	30.4	Very low	125 Å²	125	153.8 Å²	153.8	76%	0.758	81%	0.811	S	S	*	*			trans	-141.9	125	156.8	-158.5	0	0	0	0	112.3	D246 V250	D246-V248 PolarHBondContact O-N 3.49Å; V248-V250 HydrophobicContact CB-CG2 4.45Å; V248-V250 HydrophobicContact CG1-CG2 3.56Å
249	V	37.2	Very low	30.4	Very low	146 Å²	146	157.6 Å²	157.6	89%	0.885	83%	0.826	S	S	*	*			trans	-98.7	122.9	167.5	175.3	0	0	0	0	108.9
250	V	28.9	Very low	30.2	Very low	122 Å²	122	153.7 Å²	153.7	74%	0.739	82%	0.815	S	S	*	*			trans	-133.6	143.7	178.6	-167.3	0	0	0	0	110.8	V248	V248-V250 HydrophobicContact CB-CG2 4.45Å; V248-V250 HydrophobicContact CG1-CG2 3.56Å
251	K	25.7	Very low	30.1	Very low	188 Å²	188	152.6 Å²	152.6	82%	0.817	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-71.6	156.7	175.1	-82.7	-176.3	174.7	-178.8	0	112.3
252	P	32	Very low	30.1	Very low	118 Å²	118	153.2 Å²	153.2	77%	0.766	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-70.6	140.1	176.2	29.8	-35.6	0	0	0	112.4
253	P	30.8	Very low	30	Very low	123 Å²	123	146.7 Å²	146.7	80%	0.799	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-78.7	170.8	159.2	34.4	-33	0	0	0	111.3
254	A	27.7	Very low	30.3	Very low	99 Å²	99	146.4 Å²	146.4	82%	0.818	77%	0.771	S	S	*	*			trans	-79	177	-176.4	0	0	0	0	0	113.9
255	E	33.4	Very low	30.8	Very low	168 Å²	168	147 Å²	147	79%	0.785	77%	0.767	S	S	*	*			trans	-61.5	140.9	-173.2	-57.7	-179.7	-177.4	0	0	114.4	H257	E255-H257 IonicContact OE2-CE1 3.14Å
256	D	28.3	Very low	31.2	Very low	162 Å²	162	144.1 Å²	144.1	87%	0.866	75%	0.753	S	S	*	*			trans	-135.3	145.8	155	-143.5	-23.5	0	0	0	108.8	N258	D256-N258 PolarHBondContact O-N 2.74Å
257	H	30.7	Very low	32	Very low	141 Å²	141	140.9 Å²	140.9	65%	0.653	75%	0.747	S	S	*	*			trans	-87.9	113.2	-151.3	-80.5	2	0	0	0	116.4	E255	E255-H257 IonicContact OE2-CE1 3.14Å
258	N	30.4	Very low	33.5	Very low	120 Å²	120	137 Å²	137	64%	0.642	73%	0.731	S	S	*	*			trans	57.1	70.5	135.4	-68.6	-58.3	0	0	0	119.6	D256	D256-N258 PolarHBondContact O-N 2.74Å
259	I	30.9	Very low	36.1	Very low	169 Å²	169	135 Å²	135	87%	0.867	72%	0.716	S	S	*	*			trans	-123.6	76.8	130.1	-54.3	-177.9	0	0	0	108.2	M261	I259-M261 PolarHBondContact O-N 3.37Å
260	V	26.7	Very low	38.5	Very low	109 Å²	109	130.5 Å²	130.5	66%	0.661	69%	0.689	S	S	*	*			trans	-72.9	96.8	175.7	-177.9	0	0	0	0	108.9	K262	V260-K262 VanDerWaalsContact C-N 3.27Å; V260-K262 HydrophobicContact CG1-CG 4.25Å; V260-K262 PolarHBondContact O-N 3.28Å
261	M	27	Very low	41.4	Very low	163 Å²	163	124.7 Å²	124.7	80%	0.803	65%	0.654	S	S	*	*			trans	-66.4	83.6	173.8	-170.7	-177.5	-166.1	0	0	110.2	I259 S263	I259-M261 PolarHBondContact O-N 3.37Å; M261-S263 PolarHBondContact O-N 2.89Å; M261-S263 PolarHBondContact O-OG 3.09Å
262	K	31.1	Very low	44.4	Very low	178 Å²	178	116 Å²	116	77%	0.774	62%	0.616	S	S	*	*			trans	-68.8	63.4	166.7	-76.6	-166.5	175	-176	0	111.1	V260	V260-K262 VanDerWaalsContact C-N 3.27Å; V260-K262 HydrophobicContact CG1-CG 4.25Å; V260-K262 PolarHBondContact O-N 3.28Å
263	S	30.4	Very low	47.1	Very low	57 Å²	57	114.8 Å²	114.8	40%	0.399	60%	0.6	S	S	.	*			trans	-50.5	141.1	147.5	52	0	0	0	0	108.5	M261 K265	M261-S263 PolarHBondContact O-N 2.89Å; M261-S263 PolarHBondContact O-OG 3.09Å; S263-K265 PolarHBondContact O-N 3.04Å
264	Y	38.4	Very low	49.7	Very low	164 Å²	164	109.8 Å²	109.8	64%	0.643	57%	0.567	S	S	*	*			trans	-72.2	64.4	170.1	-97.1	-98	0	0	0	109.6	Q266	Y264-Q266 PolarHBondContact O-N 3.32Å
265	K	40.9	Very low	52.5	Low	184 Å²	184	108.3 Å²	108.3	80%	0.8	55%	0.549	S	S	*	.			trans	-73.4	66.9	161.8	-74.9	-172.7	178.4	-167.1	0	108.6	S263 A267	S263-K265 PolarHBondContact O-N 3.04Å; K265-A267 PolarHBondContact O-N 3.4Å
266	Q	39.8	Very low	54.9	Low	140 Å²	140	105.3 Å²	105.3	65%	0.654	54%	0.535	S	S	*	.			trans	-58.4	118.6	149.7	-176.1	165.9	-3.7	0	0	105	Y264 H268	Y264-Q266 PolarHBondContact O-N 3.32Å; Q266-H268 PolarHBondContact O-CD2 3.14Å; Q266-H268 PolarHBondContact O-N 3.47Å
267	A	44	Very low	57.7	Low	82 Å²	82	97.7 Å²	97.7	68%	0.678	49%	0.494	S	S	*	.			trans	-59.5	113.6	-179.7	0	0	0	0	0	107.4	K265 L269	K265-A267 PolarHBondContact O-N 3.4Å; A267-L269 PolarHBondContact O-N 3Å
268	H	63.2	Low	60.5	Low	118 Å²	118	96.3 Å²	96.3	55%	0.546	49%	0.488	S	S	.	.			trans	-70.1	88	174.6	-82.5	-94.2	0	0	0	107	Q266 T270	Q266-H268 PolarHBondContact O-CD2 3.14Å; Q266-H268 PolarHBondContact O-N 3.47Å; H268-T270 PolarHBondContact O-N 3.42Å
269	L	80.1	Confident	63.3	Low	85 Å²	85	98.3 Å²	98.3	45%	0.445	49%	0.493	S	S	.	.			trans	-51.1	127.4	168.4	-66.9	171.2	0	0	0	107.2	A267 Q273 F298	A267-L269 PolarHBondContact O-N 3Å; L269-Q273 HydrophobicContact CB-CB 4.22Å; L269-Q273 HydrophobicContact CD2-CB 4.06Å; L269-F298 WeakPolarHBondContact O-CE1 3.38Å
270	T	87.3	Confident	66	Low	50 Å²	50	92.5 Å²	92.5	31%	0.307	47%	0.468	S	S	.	.			trans	-65.1	158.7	169.2	75.9	0	0	0	0	108.7	H268 S272 Q273 L274 E295	H268-T270 PolarHBondContact O-N 3.42Å; T270-S272 PolarHBondContact O-N 3.31Å; T270-S272 PolarHBondContact OG1-OG 3.05Å; T270-Q273 VanDerWaalsContact N-OE1 3.09Å; T270-Q273 WeakPolarHBondContact O-CA 3.34Å; T270-Q273 WeakPolarHBondContact O-CB 3.5Å; T270-Q273 PolarHBondContact O-N 2.93Å; T270-Q273 VanDerWaalsContact OG1-CG 3.26Å; T270-Q273 WeakPolarHBondContact OG1-CG 3.27Å; T270-Q273 PolarHBondContact OG1-N 2.72Å; T270-L274 PolarHBondContact O-N 3.43Å; T270-E295 WeakPolarHBondContact CA-OE2 3.48Å; T270-E295 WeakPolarHBondContact CB-OE1 3.24Å; T270-E295 VanDerWaalsContact CB-OE2 3.25Å; T270-E295 WeakPolarHBondContact CB-OE2 3.16Å; T270-E295 PolarHBondContact OG1-OE1 2.76Å
271	W	90.8	Very high	68.8	Low	1 Å²	1	89 Å²	89	0%	0.004	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-53.6	-40.8	175.2	173.3	85.2	0	0	0	110.9	Q273 L274 V277 I282 L283 I286 R291 Q294 E295 F298 L362 V363	W271-Q273 PolarHBondContact O-N 3.44Å; W271-L274 HydrophobicContact CG-CD1 4.49Å; W271-L274 WeakPolarHBondContact O-CB 3.4Å; W271-L274 WeakPolarHBondContact O-CG 3.26Å; W271-L274 PolarHBondContact O-N 3.17Å; W271-V277 HydrophobicContact CD2-CG1 4.35Å; W271-V277 HydrophobicContact CD2-CG2 4.28Å; W271-V277 HydrophobicContact CE3-CG1 4.2Å; W271-V277 HydrophobicContact CH2-CG1 3.75Å; W271-V277 HydrophobicContact CZ2-CG1 3.92Å; W271-V277 HydrophobicContact CZ2-CG2 3.97Å; W271-V277 HydrophobicContact CZ3-CG1 3.91Å; W271-V277 WeakPolarHBondContact O-CG2 3.3Å; W271-I282 HydrophobicContact CH2-CG2 4.2Å; W271-L283 HydrophobicContact CE3-CD2 4.45Å; W271-L283 HydrophobicContact CH2-CD2 4.33Å; W271-L283 HydrophobicContact CZ3-CD2 3.71Å; W271-I286 HydrophobicContact CH2-CD1 3.7Å; W271-I286 HydrophobicContact CZ3-CD1 3.54Å; W271-R291 HydrophobicContact CZ3-CG 4.5Å; W271-Q294 HydrophobicContact CD2-CB 3.6Å; W271-Q294 HydrophobicContact CD2-CG 4.3Å; W271-Q294 HydrophobicContact CE3-CB 3.64Å; W271-Q294 HydrophobicContact CE3-CG 4.31Å; W271-Q294 HydrophobicContact CG-CB 4.12Å; W271-Q294 HydrophobicContact CH2-CB 4.29Å; W271-Q294 HydrophobicContact CH2-CG 4.06Å; W271-Q294 HydrophobicContact CZ2-CB 4.24Å; W271-Q294 HydrophobicContact CZ2-CG 4.01Å; W271-Q294 HydrophobicContact CZ3-CB 4Å; W271-Q294 HydrophobicContact CZ3-CG 4.2Å; W271-E295 WeakPolarHBondContact CB-OE2 3.42Å; W271-E295 PolarHBondContact N-OE1 2.87Å; W271-E295 PolarHBondContact N-OE2 3.26Å; W271-F298 HydrophobicContact CB-CB 3.79Å; W271-F298 HydrophobicContact CB-CD1 3.9Å; W271-F298 HydrophobicContact CB-CG 3.83Å; W271-F298 HydrophobicContact CG-CB 4.42Å; W271-F298 HydrophobicContact CG-CG 4.49Å; W271-L362 WeakPolarHBondContact CZ2-O 3.47Å; W271-L362 PolarHBondContact NE1-O 3.39Å; W271-V363 HydrophobicContact CH2-CG2 4.2Å; W271-V363 HydrophobicContact CZ2-CG2 3.91Å
272	S	88.6	Confident	71.7	Confident	5 Å²	5	83 Å²	83	4%	0.035	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-75.6	0.4	174.6	56.3	0	0	0	0	115.9	T270 Q278 R291 E295	T270-S272 PolarHBondContact O-N 3.31Å; T270-S272 PolarHBondContact OG1-OG 3.05Å; S272-Q278 PolarHBondContact O-NE2 3.3Å; S272-R291 VanDerWaalsContact CB-NE 3.26Å; S272-R291 VanDerWaalsContact CB-NH2 3.27Å; S272-R291 PolarHBondContact OG-NE 3.19Å; S272-R291 PolarHBondContact OG-NH2 3.27Å; S272-E295 VanDerWaalsContact CB-OE1 3.28Å; S272-E295 WeakPolarHBondContact CB-OE1 3.22Å; S272-E295 PolarHBondContact N-OE1 3.25Å; S272-E295 PolarHBondContact OG-OE1 3.12Å
273	Q	88.4	Confident	74.4	Confident	92 Å²	92	76.8 Å²	76.8	43%	0.43	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-103	-2.8	168.5	-71.8	168.1	-0.3	0	0	113.1	L269 T270 W271	L269-Q273 HydrophobicContact CB-CB 4.22Å; L269-Q273 HydrophobicContact CD2-CB 4.06Å; T270-Q273 VanDerWaalsContact N-OE1 3.09Å; T270-Q273 WeakPolarHBondContact O-CA 3.34Å; T270-Q273 WeakPolarHBondContact O-CB 3.5Å; T270-Q273 PolarHBondContact O-N 2.93Å; T270-Q273 VanDerWaalsContact OG1-CG 3.26Å; T270-Q273 WeakPolarHBondContact OG1-CG 3.27Å; T270-Q273 PolarHBondContact OG1-N 2.72Å; W271-Q273 PolarHBondContact O-N 3.44Å
274	L	86.3	Confident	77.1	Confident	19 Å²	19	82.8 Å²	82.8	10%	0.099	42%	0.421	C	S	.	.	S	Bend	trans	-66	131.3	174.7	-63.7	174	0	0	0	110.3	T270 W271 Q276 V277 Q278 F298	T270-L274 PolarHBondContact O-N 3.43Å; W271-L274 HydrophobicContact CG-CD1 4.49Å; W271-L274 WeakPolarHBondContact O-CB 3.4Å; W271-L274 WeakPolarHBondContact O-CG 3.26Å; W271-L274 PolarHBondContact O-N 3.17Å; L274-Q276 PolarHBondContact O-N 2.92Å; L274-V277 HydrophobicContact CB-CB 4.2Å; L274-V277 HydrophobicContact CB-CG2 3.97Å; L274-V277 HydrophobicContact CD1-CG2 4.2Å; L274-V277 PolarHBondContact O-N 3.36Å; L274-Q278 PolarHBondContact O-N 2.83Å; L274-F298 HydrophobicContact CD1-CE1 4.33Å; L274-F298 HydrophobicContact CD1-CE2 3.88Å; L274-F298 HydrophobicContact CD1-CZ 3.78Å; L274-F298 HydrophobicContact CD2-CE1 4.33Å; L274-F298 HydrophobicContact CD2-CZ 3.88Å; L274-F298 HydrophobicContact CG-CZ 4.22Å
275	P	85.3	Confident	79.5	Confident	67 Å²	67	80.5 Å²	80.5	44%	0.435	42%	0.424	S	S	.	.	H	α-helix	trans	-53.7	-42.5	178.6	-28.3	35.3	0	0	0	112.6	V277 Q278 E279	P275-V277 VanDerWaalsContact C-N 3.27Å; P275-V277 PolarHBondContact O-N 3.34Å; P275-Q278 PolarHBondContact O-N 3.42Å; P275-Q278 VanDerWaalsContact O-N 3.15Å; P275-E279 VanDerWaalsContact O-CB 3.3Å; P275-E279 WeakPolarHBondContact O-CB 3.41Å; P275-E279 VanDerWaalsContact O-CG 3.25Å; P275-E279 WeakPolarHBondContact O-CG 3.32Å; P275-E279 PolarHBondContact O-N 3.15Å
276	Q	85.2	Confident	81.9	Confident	106 Å²	106	73.3 Å²	73.3	50%	0.495	39%	0.394	S	S	.	.	H	α-helix	trans	-57	-37.6	176.7	-64.1	150.5	-20.7	0	0	112.9	L274 S280 L362	L274-Q276 PolarHBondContact O-N 2.92Å; Q276-S280 VanDerWaalsContact O-CB 3.25Å; Q276-S280 WeakPolarHBondContact O-CB 3.47Å; Q276-S280 PolarHBondContact O-N 2.68Å; Q276-S280 PolarHBondContact O-OG 3.22Å; Q276-L362 HydrophobicContact CB-CD2 3.97Å
277	V	87.4	Confident	84.4	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.006	39%	0.387	C	S	.	.	H	α-helix	trans	-78.1	-37.2	179.3	176.1	0	0	0	0	110.6	W271 L274 P275 S280 L283	W271-V277 HydrophobicContact CD2-CG1 4.35Å; W271-V277 HydrophobicContact CD2-CG2 4.28Å; W271-V277 HydrophobicContact CE3-CG1 4.2Å; W271-V277 HydrophobicContact CH2-CG1 3.75Å; W271-V277 HydrophobicContact CZ2-CG1 3.92Å; W271-V277 HydrophobicContact CZ2-CG2 3.97Å; W271-V277 HydrophobicContact CZ3-CG1 3.91Å; W271-V277 WeakPolarHBondContact O-CG2 3.3Å; L274-V277 HydrophobicContact CB-CB 4.2Å; L274-V277 HydrophobicContact CB-CG2 3.97Å; L274-V277 HydrophobicContact CD1-CG2 4.2Å; L274-V277 PolarHBondContact O-N 3.36Å; P275-V277 VanDerWaalsContact C-N 3.27Å; P275-V277 PolarHBondContact O-N 3.34Å; V277-S280 PolarHBondContact O-OG 3.02Å; V277-L283 HydrophobicContact CG1-CD1 4.38Å; V277-L283 HydrophobicContact CG1-CD2 3.7Å; V277-L283 HydrophobicContact CG1-CG 3.91Å
278	Q	88	Confident	86.6	Confident	113 Å²	113	71.7 Å²	71.7	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-67.8	-48.1	175.3	-65.9	-176	-9.8	0	0	112.3	S272 L274 P275 S280 G281 L283	S272-Q278 PolarHBondContact O-NE2 3.3Å; L274-Q278 PolarHBondContact O-N 2.83Å; P275-Q278 PolarHBondContact O-N 3.42Å; P275-Q278 VanDerWaalsContact O-N 3.15Å; Q278-S280 PolarHBondContact O-N 2.72Å; Q278-G281 PolarHBondContact O-N 3.23Å; Q278-L283 HydrophobicContact CG-CD1 4.44Å
279	E	88.9	Confident	87.8	Confident	161 Å²	161	71 Å²	71	75%	0.752	39%	0.385	S	S	*	.	H	α-helix	trans	-62.7	-29.5	177.9	-70.9	165.6	-161.1	0	0	112.6	P275 G281	P275-E279 VanDerWaalsContact O-CB 3.3Å; P275-E279 WeakPolarHBondContact O-CB 3.41Å; P275-E279 VanDerWaalsContact O-CG 3.25Å; P275-E279 WeakPolarHBondContact O-CG 3.32Å; P275-E279 PolarHBondContact O-N 3.15Å; E279-G281 VanDerWaalsContact C-N 3.32Å; E279-G281 PolarHBondContact O-N 2.93Å
280	S	87.6	Confident	88.4	Confident	48 Å²	48	69 Å²	69	34%	0.336	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-14.6	178.9	73.3	0	0	0	0	115.3	Q276 V277 Q278 I282	Q276-S280 VanDerWaalsContact O-CB 3.25Å; Q276-S280 WeakPolarHBondContact O-CB 3.47Å; Q276-S280 PolarHBondContact O-N 2.68Å; Q276-S280 PolarHBondContact O-OG 3.22Å; V277-S280 PolarHBondContact O-OG 3.02Å; Q278-S280 PolarHBondContact O-N 2.72Å; S280-I282 PolarHBondContact O-N 3.04Å; S280-I282 VanDerWaalsContact O-N 3.1Å; S280-I282 WeakPolarHBondContact OG-CB 3.32Å; S280-I282 WeakPolarHBondContact OG-CD1 3.45Å; S280-I282 WeakPolarHBondContact OG-CG1 3.44Å; S280-I282 PolarHBondContact OG-N 2.77Å
281	G	86.2	Confident	88.7	Confident	34 Å²	34	71.4 Å²	71.4	35%	0.351	38%	0.377	S	S	.	.			trans	68	-1	-173.7	0	0	0	0	0	115.6	Q278 E279 L283 E284	Q278-G281 PolarHBondContact O-N 3.23Å; E279-G281 VanDerWaalsContact C-N 3.32Å; E279-G281 PolarHBondContact O-N 2.93Å; G281-L283 PolarHBondContact O-N 3.25Å; G281-E284 PolarHBondContact O-N 3.49Å
282	I	88.8	Confident	88.8	Confident	37 Å²	37	77.9 Å²	77.9	19%	0.19	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-56.2	-28.4	-173.6	-72.8	173.1	0	0	0	112.9	W271 S280 E284 T285 I286 L362 V363	W271-I282 HydrophobicContact CH2-CG2 4.2Å; S280-I282 PolarHBondContact O-N 3.04Å; S280-I282 VanDerWaalsContact O-N 3.1Å; S280-I282 WeakPolarHBondContact OG-CB 3.32Å; S280-I282 WeakPolarHBondContact OG-CD1 3.45Å; S280-I282 WeakPolarHBondContact OG-CG1 3.44Å; S280-I282 PolarHBondContact OG-N 2.77Å; I282-E284 PolarHBondContact O-N 3.43Å; I282-E284 VanDerWaalsContact O-N 3.16Å; I282-T285 PolarHBondContact O-N 3.37Å; I282-T285 PolarHBondContact O-OG1 3.44Å; I282-I286 HydrophobicContact CG2-CG2 3.66Å; I282-I286 PolarHBondContact O-N 3.16Å; I282-I286 VanDerWaalsContact O-N 3.13Å; I282-L362 HydrophobicContact CD1-CB 4.37Å; I282-L362 HydrophobicContact CD1-CD1 4.27Å; I282-V363 HydrophobicContact CD1-CG2 4.17Å; I282-V363 HydrophobicContact CG2-CG2 3.57Å
283	L	87.7	Confident	89.1	Confident	49 Å²	49	78.5 Å²	78.5	26%	0.257	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-60.7	-20.2	177.3	-61	-179.4	0	0	0	114.3	W271 V277 Q278 G281 I286	W271-L283 HydrophobicContact CE3-CD2 4.45Å; W271-L283 HydrophobicContact CH2-CD2 4.33Å; W271-L283 HydrophobicContact CZ3-CD2 3.71Å; V277-L283 HydrophobicContact CG1-CD1 4.38Å; V277-L283 HydrophobicContact CG1-CD2 3.7Å; V277-L283 HydrophobicContact CG1-CG 3.91Å; Q278-L283 HydrophobicContact CG-CD1 4.44Å; G281-L283 PolarHBondContact O-N 3.25Å; L283-I286 HydrophobicContact CD2-CD1 4.08Å
284	E	86.9	Confident	89.4	Confident	183 Å²	183	74.1 Å²	74.1	86%	0.855	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-86.4	-17.9	173.9	-58.9	-170.5	169.1	0	0	112.9	G281 I282	G281-E284 PolarHBondContact O-N 3.49Å; I282-E284 PolarHBondContact O-N 3.43Å; I282-E284 VanDerWaalsContact O-N 3.16Å
285	T	88.1	Confident	89.8	Confident	115 Å²	115	75.3 Å²	75.3	71%	0.706	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-25.5	-175.2	65.2	0	0	0	0	114.7	I282	I282-T285 PolarHBondContact O-N 3.37Å; I282-T285 PolarHBondContact O-OG1 3.44Å
286	I	91.8	Very high	90.2	Very high	33 Å²	33	72.6 Å²	72.6	17%	0.169	37%	0.374	C	S	.	.	S	Bend	trans	-84.3	153.3	-179	64.3	-178.6	0	0	0	112	W271 I282 L283 E290 R291	W271-I286 HydrophobicContact CH2-CD1 3.7Å; W271-I286 HydrophobicContact CZ3-CD1 3.54Å; I282-I286 HydrophobicContact CG2-CG2 3.66Å; I282-I286 PolarHBondContact O-N 3.16Å; I282-I286 VanDerWaalsContact O-N 3.13Å; L283-I286 HydrophobicContact CD2-CD1 4.08Å; I286-E290 HydrophobicContact CB-CB 4.44Å; I286-E290 HydrophobicContact CB-CG 4.35Å; I286-E290 HydrophobicContact CG2-CG 4.49Å; I286-R291 HydrophobicContact CD1-CB 3.76Å; I286-R291 HydrophobicContact CD1-CG 4.19Å; I286-R291 HydrophobicContact CG1-CB 4.36Å
287	T	91.8	Very high	90.7	Very high	82 Å²	82	67.6 Å²	67.6	50%	0.503	35%	0.35	S	S	.	.			trans	-73.4	154.6	173.6	72.9	0	0	0	0	111.1	Q289 E290 R291	T287-Q289 PolarHBondContact O-N 2.67Å; T287-E290 PolarHBondContact O-N 3.44Å; T287-E290 VanDerWaalsContact O-N 3.12Å; T287-E290 WeakPolarHBondContact OG1-CB 3.36Å; T287-E290 PolarHBondContact OG1-N 3.34Å; T287-R291 PolarHBondContact O-N 3.48Å
288	P	90.2	Very high	91	Very high	107 Å²	107	68.5 Å²	68.5	70%	0.695	36%	0.355	S	S	*	.	H	α-helix	trans	-59.9	-24.4	173.1	-25.7	35.5	0	0	0	114	K292	P288-K292 WeakPolarHBondContact O-CG 3.22Å; P288-K292 PolarHBondContact O-N 2.94Å
289	Q	89.3	Confident	91.3	Very high	103 Å²	103	66.1 Å²	66.1	48%	0.481	34%	0.343	S	S	.	.	H	α-helix	trans	-74.6	-46.2	172.9	179.6	171	-6.5	0	0	111.3	T287 R291 K292 R293 K448	T287-Q289 PolarHBondContact O-N 2.67Å; Q289-R291 VanDerWaalsContact C-N 3.32Å; Q289-R291 PolarHBondContact O-N 3.13Å; Q289-K292 WeakPolarHBondContact O-CB 3.49Å; Q289-K292 PolarHBondContact O-N 2.94Å; Q289-K292 VanDerWaalsContact O-N 3.1Å; Q289-R293 PolarHBondContact O-N 3.03Å; Q289-K448 VanDerWaalsContact CG-O 3.31Å; Q289-K448 WeakPolarHBondContact CG-O 3.25Å; Q289-K448 PolarHBondContact NE2-O 3.2Å
290	E	92	Very high	91.6	Very high	42 Å²	42	58.4 Å²	58.4	20%	0.196	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-39.7	177	179.9	55	-157.7	0	0	111.5	I286 T287 K292 R293 Q294	I286-E290 HydrophobicContact CB-CB 4.44Å; I286-E290 HydrophobicContact CB-CG 4.35Å; I286-E290 HydrophobicContact CG2-CG 4.49Å; T287-E290 PolarHBondContact O-N 3.44Å; T287-E290 VanDerWaalsContact O-N 3.12Å; T287-E290 WeakPolarHBondContact OG1-CB 3.36Å; T287-E290 PolarHBondContact OG1-N 3.34Å; E290-K292 VanDerWaalsContact C-N 3.33Å; E290-K292 PolarHBondContact O-N 2.97Å; E290-R293 WeakPolarHBondContact O-CA 3.21Å; E290-R293 WeakPolarHBondContact O-CB 3.39Å; E290-R293 PolarHBondContact O-N 2.85Å; E290-R293 IonicContact OE1-CZ 3.51Å; E290-R293 IonicContact OE1-NE 2.68Å; E290-R293 PolarHBondContact OE1-NE 3Å; E290-R293 IonicContact OE1-NH2 3.81Å; E290-R293 PolarHBondContact OE1-NH2 2.87Å; E290-R293 IonicContact OE2-CZ 3.49Å; E290-R293 IonicContact OE2-NE 2.74Å; E290-R293 PolarHBondContact OE2-NE 3.41Å; E290-R293 IonicContact OE2-NH2 2.73Å; E290-R293 PolarHBondContact OE2-NH2 2.94Å; E290-Q294 PolarHBondContact O-N 2.64Å; E290-Q294 PolarHBondContact OE1-NE2 3.36Å
291	R	92.9	Very high	91.9	Very high	102 Å²	102	56.6 Å²	56.6	39%	0.385	29%	0.294	S	S	.	.	H	α-helix	trans	-55	-48.1	171.1	-173.1	173.9	174	176.6	-2.2	111.3	W271 S272 I286 T287 Q289 R293 Q294 E295	W271-R291 HydrophobicContact CZ3-CG 4.5Å; S272-R291 VanDerWaalsContact CB-NE 3.26Å; S272-R291 VanDerWaalsContact CB-NH2 3.27Å; S272-R291 PolarHBondContact OG-NE 3.19Å; S272-R291 PolarHBondContact OG-NH2 3.27Å; I286-R291 HydrophobicContact CD1-CB 3.76Å; I286-R291 HydrophobicContact CD1-CG 4.19Å; I286-R291 HydrophobicContact CG1-CB 4.36Å; T287-R291 PolarHBondContact O-N 3.48Å; Q289-R291 VanDerWaalsContact C-N 3.32Å; Q289-R291 PolarHBondContact O-N 3.13Å; R291-R293 VanDerWaalsContact C-N 3.27Å; R291-R293 PolarHBondContact O-N 3.3Å; R291-Q294 PolarHBondContact O-N 3.41Å; R291-E295 WeakPolarHBondContact O-CG 3.45Å; R291-E295 PolarHBondContact O-N 3.13Å
292	K	92.9	Very high	92.2	Very high	137 Å²	137	56.5 Å²	56.5	60%	0.596	29%	0.287	S	S	*	.	H	α-helix	trans	-63.5	-29.8	176.5	-72.7	-180	178.7	-169.6	0	113.3	P288 Q289 E290 A296 K448	P288-K292 WeakPolarHBondContact O-CG 3.22Å; P288-K292 PolarHBondContact O-N 2.94Å; Q289-K292 WeakPolarHBondContact O-CB 3.49Å; Q289-K292 PolarHBondContact O-N 2.94Å; Q289-K292 VanDerWaalsContact O-N 3.1Å; E290-K292 VanDerWaalsContact C-N 3.33Å; E290-K292 PolarHBondContact O-N 2.97Å; K292-A296 PolarHBondContact O-N 3.02Å; K292-K448 HydrophobicContact CB-CG 4.29Å
293	R	94.8	Very high	92.5	Very high	17 Å²	17	55.9 Å²	55.9	6%	0.064	29%	0.285	C	S	.	.	H	α-helix	trans	-71.4	-43	173.9	-161.6	-175.4	71.1	89.9	10.2	111.7	Q289 E290 R291 A296 I297 I364 R365 K448 T449	Q289-R293 PolarHBondContact O-N 3.03Å; E290-R293 WeakPolarHBondContact O-CA 3.21Å; E290-R293 WeakPolarHBondContact O-CB 3.39Å; E290-R293 PolarHBondContact O-N 2.85Å; E290-R293 IonicContact OE1-CZ 3.51Å; E290-R293 IonicContact OE1-NE 2.68Å; E290-R293 PolarHBondContact OE1-NE 3Å; E290-R293 IonicContact OE1-NH2 3.81Å; E290-R293 PolarHBondContact OE1-NH2 2.87Å; E290-R293 IonicContact OE2-CZ 3.49Å; E290-R293 IonicContact OE2-NE 2.74Å; E290-R293 PolarHBondContact OE2-NE 3.41Å; E290-R293 IonicContact OE2-NH2 2.73Å; E290-R293 PolarHBondContact OE2-NH2 2.94Å; R291-R293 VanDerWaalsContact C-N 3.27Å; R291-R293 PolarHBondContact O-N 3.3Å; R293-A296 PolarHBondContact O-N 2.97Å; R293-I297 HydrophobicContact CG-CD1 4.45Å; R293-I297 WeakPolarHBondContact O-CG1 3.36Å; R293-I297 PolarHBondContact O-N 2.81Å; R293-I364 PolarHBondContact NH2-O 2.98Å; R293-R365 PolarHBondContact NH1-O 2.82Å; R293-R365 PolarHBondContact NH2-O 2.9Å; R293-K448 HydrophobicContact CB-CB 4.04Å; R293-K448 HydrophobicContact CG-CB 4.31Å; R293-T449 WeakPolarHBondContact CD-OG1 3.35Å
294	Q	95.3	Very high	92.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-42.8	173.7	-67.4	-57.5	-42.7	0	0	112.1	W271 E290 R291 A296 I297 F298 V363 I364	W271-Q294 HydrophobicContact CD2-CB 3.6Å; W271-Q294 HydrophobicContact CD2-CG 4.3Å; W271-Q294 HydrophobicContact CE3-CB 3.64Å; W271-Q294 HydrophobicContact CE3-CG 4.31Å; W271-Q294 HydrophobicContact CG-CB 4.12Å; W271-Q294 HydrophobicContact CH2-CB 4.29Å; W271-Q294 HydrophobicContact CH2-CG 4.06Å; W271-Q294 HydrophobicContact CZ2-CB 4.24Å; W271-Q294 HydrophobicContact CZ2-CG 4.01Å; W271-Q294 HydrophobicContact CZ3-CB 4Å; W271-Q294 HydrophobicContact CZ3-CG 4.2Å; E290-Q294 PolarHBondContact O-N 2.64Å; E290-Q294 PolarHBondContact OE1-NE2 3.36Å; R291-Q294 PolarHBondContact O-N 3.41Å; Q294-A296 VanDerWaalsContact C-N 3.33Å; Q294-A296 PolarHBondContact O-N 3.1Å; Q294-I297 PolarHBondContact O-N 3.41Å; Q294-F298 WeakPolarHBondContact O-CB 3.31Å; Q294-F298 PolarHBondContact O-N 3.32Å; Q294-V363 HydrophobicContact CG-CG1 4.33Å; Q294-I364 PolarHBondContact NE2-O 3.32Å
295	E	94.3	Very high	93.1	Very high	44 Å²	44	49 Å²	49	21%	0.206	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-42.2	174.7	-63.6	-61.6	172.7	0	0	112	T270 W271 S272 R291 F298 E299	T270-E295 WeakPolarHBondContact CA-OE2 3.48Å; T270-E295 WeakPolarHBondContact CB-OE1 3.24Å; T270-E295 VanDerWaalsContact CB-OE2 3.25Å; T270-E295 WeakPolarHBondContact CB-OE2 3.16Å; T270-E295 PolarHBondContact OG1-OE1 2.76Å; W271-E295 WeakPolarHBondContact CB-OE2 3.42Å; W271-E295 PolarHBondContact N-OE1 2.87Å; W271-E295 PolarHBondContact N-OE2 3.26Å; S272-E295 VanDerWaalsContact CB-OE1 3.28Å; S272-E295 WeakPolarHBondContact CB-OE1 3.22Å; S272-E295 PolarHBondContact N-OE1 3.25Å; S272-E295 PolarHBondContact OG-OE1 3.12Å; R291-E295 WeakPolarHBondContact O-CG 3.45Å; R291-E295 PolarHBondContact O-N 3.13Å; E295-F298 PolarHBondContact O-N 3.43Å; E295-E299 PolarHBondContact O-N 2.72Å
296	A	93.8	Very high	93.4	Very high	9 Å²	9	45.6 Å²	45.6	7%	0.074	23%	0.233	C	C	.	.	H	α-helix	trans	-67.4	-38.5	177.4	0	0	0	0	0	113.2	K292 R293 Q294 E299 I300 T444 I445	K292-A296 PolarHBondContact O-N 3.02Å; R293-A296 PolarHBondContact O-N 2.97Å; Q294-A296 VanDerWaalsContact C-N 3.33Å; Q294-A296 PolarHBondContact O-N 3.1Å; A296-E299 PolarHBondContact O-N 3.43Å; A296-I300 PolarHBondContact O-N 3.18Å; A296-T444 HydrophobicContact CB-CG2 4.05Å; A296-I445 HydrophobicContact CB-CG1 3.86Å
297	I	95.4	Very high	93.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-45.9	172.1	-69	166.9	0	0	0	110	R293 Q294 E299 I300 I301 I364 I367 I445	R293-I297 HydrophobicContact CG-CD1 4.45Å; R293-I297 WeakPolarHBondContact O-CG1 3.36Å; R293-I297 PolarHBondContact O-N 2.81Å; Q294-I297 PolarHBondContact O-N 3.41Å; I297-E299 VanDerWaalsContact C-N 3.32Å; I297-E299 PolarHBondContact O-N 3.09Å; I297-I300 PolarHBondContact O-N 3.04Å; I297-I300 VanDerWaalsContact O-N 3.12Å; I297-I301 HydrophobicContact CG2-CD1 4.3Å; I297-I301 PolarHBondContact O-N 3.29Å; I297-I364 HydrophobicContact CG2-CB 4.15Å; I297-I364 HydrophobicContact CG2-CD1 3.83Å; I297-I364 HydrophobicContact CG2-CG2 4.09Å; I297-I367 HydrophobicContact CG2-CD1 4.05Å; I297-I367 HydrophobicContact CG2-CG1 4.26Å; I297-I367 HydrophobicContact CG2-CG2 3.99Å; I297-I445 HydrophobicContact CG1-CD1 3.88Å; I297-I445 HydrophobicContact CG1-CG1 4.24Å
298	F	94.6	Very high	93.7	Very high	21 Å²	21	41.8 Å²	41.8	9%	0.092	21%	0.208	C	C	.	.	H	α-helix	trans	-68	-29.1	-179.1	-164.7	-113.3	0	0	0	113	L269 W271 L274 Q294 E295 I301 T302 H358	L269-F298 WeakPolarHBondContact O-CE1 3.38Å; W271-F298 HydrophobicContact CB-CB 3.79Å; W271-F298 HydrophobicContact CB-CD1 3.9Å; W271-F298 HydrophobicContact CB-CG 3.83Å; W271-F298 HydrophobicContact CG-CB 4.42Å; W271-F298 HydrophobicContact CG-CG 4.49Å; L274-F298 HydrophobicContact CD1-CE1 4.33Å; L274-F298 HydrophobicContact CD1-CE2 3.88Å; L274-F298 HydrophobicContact CD1-CZ 3.78Å; L274-F298 HydrophobicContact CD2-CE1 4.33Å; L274-F298 HydrophobicContact CD2-CZ 3.88Å; L274-F298 HydrophobicContact CG-CZ 4.22Å; Q294-F298 WeakPolarHBondContact O-CB 3.31Å; Q294-F298 PolarHBondContact O-N 3.32Å; E295-F298 PolarHBondContact O-N 3.43Å; F298-I301 PolarHBondContact O-N 3.47Å; F298-T302 HydrophobicContact CD1-CG2 3.8Å; F298-T302 HydrophobicContact CD2-CG2 4.32Å; F298-T302 HydrophobicContact CE1-CG2 3.37Å; F298-T302 HydrophobicContact CE2-CG2 3.93Å; F298-T302 HydrophobicContact CG-CG2 4.24Å; F298-T302 HydrophobicContact CZ-CG2 3.43Å; F298-T302 VanDerWaalsContact CZ-CG2 3.43Å; F298-T302 WeakPolarHBondContact O-CB 3.22Å; F298-T302 WeakPolarHBondContact O-CG2 3.48Å; F298-T302 PolarHBondContact O-N 3.42Å; F298-T302 PolarHBondContact O-OG1 3.32Å; F298-H358 AromaticContact CE2-CD2 3.92Å; F298-H358 AromaticContact CE2-NE2 3.58Å
299	E	94.6	Very high	93.9	Very high	62 Å²	62	41 Å²	41	29%	0.29	20%	0.195	S	C	.	.	H	α-helix	trans	-61	-43	169.3	-159.1	-154.5	143.9	0	0	111.2	E295 A296 I297 I301 T302 S303 R437 L441	E295-E299 PolarHBondContact O-N 2.72Å; A296-E299 PolarHBondContact O-N 3.43Å; I297-E299 VanDerWaalsContact C-N 3.32Å; I297-E299 PolarHBondContact O-N 3.09Å; E299-I301 VanDerWaalsContact C-N 3.34Å; E299-I301 PolarHBondContact O-N 3.07Å; E299-T302 PolarHBondContact O-OG1 2.84Å; E299-S303 WeakPolarHBondContact O-CB 3.4Å; E299-S303 PolarHBondContact O-N 2.86Å; E299-S303 PolarHBondContact O-OG 3.28Å; E299-R437 IonicContact OE1-CZ 3.36Å; E299-R437 IonicContact OE1-NE 3.17Å; E299-R437 IonicContact OE1-NH2 2.83Å; E299-R437 PolarHBondContact OE1-NH2 3.38Å; E299-L441 VanDerWaalsContact OE1-CD2 3.24Å; E299-L441 WeakPolarHBondContact OE1-CD2 3.43Å
300	I	95.3	Very high	94.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-46.1	177.3	-66.7	-169.5	0	0	0	110.9	A296 I297 S303 E304 L354 I367 R434 L438 L441 L442 I445	A296-I300 PolarHBondContact O-N 3.18Å; I297-I300 PolarHBondContact O-N 3.04Å; I297-I300 VanDerWaalsContact O-N 3.12Å; I300-S303 PolarHBondContact O-OG 2.71Å; I300-E304 WeakPolarHBondContact O-CB 3.42Å; I300-E304 PolarHBondContact O-N 3.31Å; I300-L354 HydrophobicContact CG2-CD1 4.17Å; I300-I367 HydrophobicContact CB-CD1 4.1Å; I300-I367 HydrophobicContact CD1-CD1 4.06Å; I300-I367 HydrophobicContact CG2-CD1 4.03Å; I300-R434 PolarHBondContact O-NH2 2.69Å; I300-L438 HydrophobicContact CG2-CD2 4.35Å; I300-L441 HydrophobicContact CD1-CB 3.68Å; I300-L441 HydrophobicContact CG1-CB 3.53Å; I300-L441 HydrophobicContact CG1-CD1 3.86Å; I300-L441 HydrophobicContact CG1-CG 4.31Å; I300-L442 HydrophobicContact CD1-CD2 4.22Å; I300-L442 HydrophobicContact CD1-CG 4.44Å; I300-I445 HydrophobicContact CD1-CD1 3.51Å; I300-I445 HydrophobicContact CG1-CD1 4.31Å
301	I	93.6	Very high	94.3	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.046	17%	0.173	C	C	.	.	H	α-helix	trans	-68.3	-50.4	-176.9	-55.2	-178.4	0	0	0	111.2	I297 F298 E299 E304 H305 F351 L354 H358 I364	I297-I301 HydrophobicContact CG2-CD1 4.3Å; I297-I301 PolarHBondContact O-N 3.29Å; F298-I301 PolarHBondContact O-N 3.47Å; E299-I301 VanDerWaalsContact C-N 3.34Å; E299-I301 PolarHBondContact O-N 3.07Å; I301-E304 PolarHBondContact O-N 2.74Å; I301-H305 PolarHBondContact O-N 3.12Å; I301-F351 HydrophobicContact CG2-CE2 4.18Å; I301-L354 HydrophobicContact CG1-CB 4.19Å; I301-L354 HydrophobicContact CG1-CD1 4.46Å; I301-L354 HydrophobicContact CG1-CD2 4.47Å; I301-H358 HydrophobicContact CD1-CB 4.1Å; I301-I364 HydrophobicContact CD1-CD1 3.7Å
302	T	92.3	Very high	94.4	Very high	33 Å²	33	31 Å²	31	20%	0.202	16%	0.158	C	C	.	.	H	α-helix	trans	-69	-35.6	-179.3	54.9	0	0	0	0	112.8	F298 E299 E304 H305 S306	F298-T302 HydrophobicContact CD1-CG2 3.8Å; F298-T302 HydrophobicContact CD2-CG2 4.32Å; F298-T302 HydrophobicContact CE1-CG2 3.37Å; F298-T302 HydrophobicContact CE2-CG2 3.93Å; F298-T302 HydrophobicContact CG-CG2 4.24Å; F298-T302 HydrophobicContact CZ-CG2 3.43Å; F298-T302 VanDerWaalsContact CZ-CG2 3.43Å; F298-T302 WeakPolarHBondContact O-CB 3.22Å; F298-T302 WeakPolarHBondContact O-CG2 3.48Å; F298-T302 PolarHBondContact O-N 3.42Å; F298-T302 PolarHBondContact O-OG1 3.32Å; E299-T302 PolarHBondContact O-OG1 2.84Å; T302-E304 VanDerWaalsContact C-N 3.34Å; T302-H305 PolarHBondContact O-N 3.28Å; T302-S306 PolarHBondContact O-N 3.23Å; T302-S306 VanDerWaalsContact O-N 3.09Å; T302-S306 PolarHBondContact O-OG 2.98Å
303	S	94.6	Very high	94.6	Very high	23 Å²	23	24.7 Å²	24.7	16%	0.161	13%	0.13	C	C	.	.	H	α-helix	trans	-71.1	-28.5	173.6	65.1	0	0	0	0	112.6	E299 I300 Y307 R434	E299-S303 WeakPolarHBondContact O-CB 3.4Å; E299-S303 PolarHBondContact O-N 2.86Å; E299-S303 PolarHBondContact O-OG 3.28Å; I300-S303 PolarHBondContact O-OG 2.71Å; S303-Y307 WeakPolarHBondContact O-CB 3.48Å; S303-Y307 PolarHBondContact O-N 3.42Å; S303-R434 PolarHBondContact OG-NH1 3.18Å; S303-R434 PolarHBondContact OG-NH2 2.98Å
304	E	95.5	Very high	94.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.5	-43.6	170.4	-168.4	61.3	-148	0	0	111.1	I300 I301 T302 S306 Y307 L308 F350 F351 L354 R434	I300-E304 WeakPolarHBondContact O-CB 3.42Å; I300-E304 PolarHBondContact O-N 3.31Å; I301-E304 PolarHBondContact O-N 2.74Å; T302-E304 VanDerWaalsContact C-N 3.34Å; E304-S306 PolarHBondContact O-N 3.29Å; E304-Y307 PolarHBondContact O-N 3Å; E304-Y307 WeakPolarHBondContact OE1-CD1 3.32Å; E304-L308 VanDerWaalsContact O-CB 3.3Å; E304-L308 WeakPolarHBondContact O-CB 3.44Å; E304-L308 PolarHBondContact O-N 3.48Å; E304-F350 VanDerWaalsContact CD-CD1 3.46Å; E304-F350 HydrophobicContact CG-CD1 3.91Å; E304-F350 HydrophobicContact CG-CE1 4.15Å; E304-F350 WeakPolarHBondContact OE2-CE1 3.31Å; E304-F351 HydrophobicContact CB-CD2 4.01Å; E304-F351 HydrophobicContact CG-CB 3.88Å; E304-F351 HydrophobicContact CG-CD2 3.94Å; E304-F351 HydrophobicContact CG-CG 4.37Å; E304-L354 HydrophobicContact CB-CD1 4.39Å; E304-L354 HydrophobicContact CG-CD1 4.47Å; E304-R434 VanDerWaalsContact CB-NH2 3.35Å; E304-R434 IonicContact OE2-CZ 2.78Å; E304-R434 IonicContact OE2-NE 3.37Å; E304-R434 PolarHBondContact OE2-NE 3.41Å; E304-R434 IonicContact OE2-NH2 3.48Å; E304-R434 PolarHBondContact OE2-NH2 3.38Å
305	H	93.3	Very high	94.7	Very high	88 Å²	88	24.5 Å²	24.5	41%	0.407	13%	0.131	S	C	.	.	H	α-helix	trans	-57.3	-51	174.8	177.2	-96.9	0	0	0	112	I301 T302 Y307 L308 H309 F351	I301-H305 PolarHBondContact O-N 3.12Å; T302-H305 PolarHBondContact O-N 3.28Å; H305-Y307 VanDerWaalsContact C-N 3.32Å; H305-Y307 PolarHBondContact O-N 3.25Å; H305-L308 PolarHBondContact O-N 2.88Å; H305-H309 WeakPolarHBondContact O-CB 3.41Å; H305-H309 PolarHBondContact O-N 3.34Å; H305-F351 HydrophobicContact CB-CD2 4.33Å; H305-F351 HydrophobicContact CB-CE2 3.65Å; H305-F351 HydrophobicContact CB-CZ 3.94Å; H305-F351 AromaticContact CD2-CZ 3.92Å
306	S	92.7	Very high	94.8	Very high	44 Å²	44	27.6 Å²	27.6	31%	0.308	14%	0.141	S	C	.	.	H	α-helix	trans	-64.3	-35.2	178.5	-66.1	0	0	0	0	112.8	T302 E304 S310	T302-S306 PolarHBondContact O-N 3.23Å; T302-S306 VanDerWaalsContact O-N 3.09Å; T302-S306 PolarHBondContact O-OG 2.98Å; E304-S306 PolarHBondContact O-N 3.29Å; S306-S310 WeakPolarHBondContact O-CB 3.42Å; S306-S310 PolarHBondContact O-N 3.39Å; S306-S310 VanDerWaalsContact O-N 3.13Å; S306-S310 PolarHBondContact O-OG 2.87Å
307	Y	96	Very high	94.8	Very high	16 Å²	16	28.9 Å²	28.9	6%	0.063	15%	0.145	C	C	.	.	H	α-helix	trans	-65.9	-46.9	172.8	168.2	-112.3	0	0	0	111.9	S303 E304 H305 H309 S310 L311 S347 Y382 L430 P431 R434	S303-Y307 WeakPolarHBondContact O-CB 3.48Å; S303-Y307 PolarHBondContact O-N 3.42Å; E304-Y307 PolarHBondContact O-N 3Å; E304-Y307 WeakPolarHBondContact OE1-CD1 3.32Å; H305-Y307 VanDerWaalsContact C-N 3.32Å; H305-Y307 PolarHBondContact O-N 3.25Å; Y307-H309 VanDerWaalsContact C-N 3.35Å; Y307-H309 PolarHBondContact O-N 3.05Å; Y307-S310 CarbonylContact O-C 3.6Å; Y307-S310 WeakPolarHBondContact O-CB 3.5Å; Y307-S310 PolarHBondContact O-N 3.35Å; Y307-S310 VanDerWaalsContact O-N 3.11Å; Y307-L311 HydrophobicContact CD1-CD1 4.25Å; Y307-L311 HydrophobicContact CD2-CG 4.24Å; Y307-L311 HydrophobicContact CE1-CD1 3.6Å; Y307-L311 HydrophobicContact CE1-CG 4.2Å; Y307-L311 HydrophobicContact CE2-CD1 4.07Å; Y307-L311 HydrophobicContact CE2-CD2 3.84Å; Y307-L311 HydrophobicContact CE2-CG 3.82Å; Y307-L311 WeakPolarHBondContact O-CG 3.49Å; Y307-L311 PolarHBondContact O-N 2.92Å; Y307-S347 WeakPolarHBondContact CE1-OG 3.44Å; Y307-Y382 WeakPolarHBondContact OH-CE1 3.29Å; Y307-Y382 PolarHBondContact OH-OH 2.93Å; Y307-L430 HydrophobicContact CD2-CB 4.23Å; Y307-L430 HydrophobicContact CE2-CB 3.89Å; Y307-L430 WeakPolarHBondContact CE2-O 3.46Å; Y307-P431 WeakPolarHBondContact OH-CA 3.23Å; Y307-R434 HydrophobicContact CD1-CB 4.33Å; Y307-R434 HydrophobicContact CD1-CG 3.78Å; Y307-R434 HydrophobicContact CD2-CB 3.93Å; Y307-R434 HydrophobicContact CD2-CG 4.21Å; Y307-R434 HydrophobicContact CE1-CB 3.99Å; Y307-R434 HydrophobicContact CE1-CG 3.64Å; Y307-R434 HydrophobicContact CE2-CB 3.54Å; Y307-R434 HydrophobicContact CE2-CG 4.09Å; Y307-R434 HydrophobicContact CG-CB 4.29Å; Y307-R434 HydrophobicContact CG-CG 4.05Å
308	L	95.3	Very high	94.9	Very high	18 Å²	18	28.9 Å²	28.9	9%	0.094	15%	0.145	C	C	.	.	H	α-helix	trans	-63.1	-39.2	178.5	-177.7	64.6	0	0	0	112.1	E304 H305 S310 G312 Y344 Q348 F351	E304-L308 VanDerWaalsContact O-CB 3.3Å; E304-L308 WeakPolarHBondContact O-CB 3.44Å; E304-L308 PolarHBondContact O-N 3.48Å; H305-L308 PolarHBondContact O-N 2.88Å; L308-S310 VanDerWaalsContact C-N 3.35Å; L308-G312 PolarHBondContact O-N 3.29Å; L308-Y344 HydrophobicContact CD1-CD2 3.73Å; L308-Y344 HydrophobicContact CD1-CE2 3.5Å; L308-Y344 HydrophobicContact CG-CE2 4.21Å; L308-Q348 HydrophobicContact CD1-CB 3.98Å; L308-Q348 HydrophobicContact CD2-CB 4.32Å; L308-Q348 HydrophobicContact CD2-CG 4.24Å; L308-F351 HydrophobicContact CD2-CB 3.97Å; L308-F351 HydrophobicContact CD2-CD1 4.01Å; L308-F351 HydrophobicContact CD2-CG 4.11Å
309	H	94	Very high	94.9	Very high	91 Å²	91	30 Å²	30	42%	0.421	15%	0.15	S	C	.	.	H	α-helix	trans	-59.1	-46.3	171.4	-176.7	90.6	0	0	0	111.4	H305 Y307 G312 I313	H305-H309 WeakPolarHBondContact O-CB 3.41Å; H305-H309 PolarHBondContact O-N 3.34Å; Y307-H309 VanDerWaalsContact C-N 3.35Å; Y307-H309 PolarHBondContact O-N 3.05Å; H309-G312 CarbonylContact O-C 3.54Å; H309-G312 WeakPolarHBondContact O-CA 3.35Å; H309-G312 PolarHBondContact O-N 3.5Å; H309-I313 PolarHBondContact O-N 2.88Å
310	S	94.4	Very high	95	Very high	32 Å²	32	31.4 Å²	31.4	22%	0.224	16%	0.16	C	C	.	.	H	α-helix	trans	-67.4	-39.2	-179.8	-55.8	0	0	0	0	112.9	S306 Y307 L308 G312 I313 L314 F427	S306-S310 WeakPolarHBondContact O-CB 3.42Å; S306-S310 PolarHBondContact O-N 3.39Å; S306-S310 VanDerWaalsContact O-N 3.13Å; S306-S310 PolarHBondContact O-OG 2.87Å; Y307-S310 CarbonylContact O-C 3.6Å; Y307-S310 WeakPolarHBondContact O-CB 3.5Å; Y307-S310 PolarHBondContact O-N 3.35Å; Y307-S310 VanDerWaalsContact O-N 3.11Å; L308-S310 VanDerWaalsContact C-N 3.35Å; S310-G312 VanDerWaalsContact C-N 3.29Å; S310-G312 PolarHBondContact O-N 2.98Å; S310-I313 WeakPolarHBondContact O-CB 3.49Å; S310-I313 PolarHBondContact O-N 2.93Å; S310-L314 PolarHBondContact O-N 3.17Å; S310-L314 VanDerWaalsContact O-N 3.14Å; S310-F427 WeakPolarHBondContact O-CD1 3.41Å
311	L	95.3	Very high	95.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.2	-37.6	167.4	-69.6	-174.8	0	0	0	111.8	Y307 I313 L314 V315 I340 I343 Y344 S347 L430 P431	Y307-L311 HydrophobicContact CD1-CD1 4.25Å; Y307-L311 HydrophobicContact CD2-CG 4.24Å; Y307-L311 HydrophobicContact CE1-CD1 3.6Å; Y307-L311 HydrophobicContact CE1-CG 4.2Å; Y307-L311 HydrophobicContact CE2-CD1 4.07Å; Y307-L311 HydrophobicContact CE2-CD2 3.84Å; Y307-L311 HydrophobicContact CE2-CG 3.82Å; Y307-L311 WeakPolarHBondContact O-CG 3.49Å; Y307-L311 PolarHBondContact O-N 2.92Å; L311-I313 VanDerWaalsContact C-N 3.28Å; L311-I313 PolarHBondContact O-N 3.39Å; L311-L314 WeakPolarHBondContact O-CB 3.32Å; L311-L314 PolarHBondContact O-N 2.8Å; L311-V315 WeakPolarHBondContact O-CG2 3.5Å; L311-V315 PolarHBondContact O-N 2.91Å; L311-I340 HydrophobicContact CD2-CD1 4Å; L311-I343 HydrophobicContact CD1-CG2 4.02Å; L311-Y344 HydrophobicContact CB-CD2 3.78Å; L311-S347 WeakPolarHBondContact CD1-OG 3.38Å; L311-L430 HydrophobicContact CD2-CB 4.39Å; L311-P431 HydrophobicContact CD2-CG 4.14Å
312	G	95.7	Very high	95.2	Very high	5 Å²	5	35.3 Å²	35.3	5%	0.052	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-37.5	176	0	0	0	0	0	112.4	L308 H309 S310 R316	L308-G312 PolarHBondContact O-N 3.29Å; H309-G312 CarbonylContact O-C 3.54Å; H309-G312 WeakPolarHBondContact O-CA 3.35Å; H309-G312 PolarHBondContact O-N 3.5Å; S310-G312 VanDerWaalsContact C-N 3.29Å; S310-G312 PolarHBondContact O-N 2.98Å; G312-R316 VanDerWaalsContact O-CB 3.27Å; G312-R316 WeakPolarHBondContact O-CB 3.35Å; G312-R316 WeakPolarHBondContact O-CG 3.17Å; G312-R316 PolarHBondContact O-N 2.99Å; G312-R316 PolarHBondContact O-NE 2.59Å
313	I	95.3	Very high	95.3	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-64.8	-49.2	171.1	-70.3	155.8	0	0	0	110.6	H309 S310 L311 V315 R316 H317 F318 E418 F427	H309-I313 PolarHBondContact O-N 2.88Å; S310-I313 WeakPolarHBondContact O-CB 3.49Å; S310-I313 PolarHBondContact O-N 2.93Å; L311-I313 VanDerWaalsContact C-N 3.28Å; L311-I313 PolarHBondContact O-N 3.39Å; I313-V315 VanDerWaalsContact C-N 3.33Å; I313-V315 PolarHBondContact O-N 3.41Å; I313-R316 PolarHBondContact O-N 3.2Å; I313-H317 PolarHBondContact O-N 2.89Å; I313-F318 HydrophobicContact CG2-CE2 4.07Å; I313-E418 WeakPolarHBondContact CD1-O 3.2Å; I313-F427 HydrophobicContact CB-CD1 4.4Å; I313-F427 HydrophobicContact CB-CE1 3.92Å; I313-F427 HydrophobicContact CB-CZ 4.43Å; I313-F427 HydrophobicContact CD1-CE1 4.17Å; I313-F427 HydrophobicContact CG2-CD1 4.11Å; I313-F427 HydrophobicContact CG2-CE1 3.55Å; I313-F427 HydrophobicContact CG2-CE2 4.21Å; I313-F427 HydrophobicContact CG2-CZ 3.61Å
314	L	96.3	Very high	95.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	I	π-helix	trans	-55.6	-44.4	177.8	-177.6	54.7	0	0	0	112.9	S310 L311 F318 K319 F337 I340 M424 F427 L428	S310-L314 PolarHBondContact O-N 3.17Å; S310-L314 VanDerWaalsContact O-N 3.14Å; L311-L314 WeakPolarHBondContact O-CB 3.32Å; L311-L314 PolarHBondContact O-N 2.8Å; L314-F318 HydrophobicContact CD1-CB 4.23Å; L314-F318 HydrophobicContact CD1-CD2 4.47Å; L314-F318 PolarHBondContact O-N 3.24Å; L314-K319 PolarHBondContact O-N 2.82Å; L314-F337 HydrophobicContact CD1-CD1 4.45Å; L314-F337 HydrophobicContact CD1-CE1 4.17Å; L314-I340 HydrophobicContact CD2-CD1 3.73Å; L314-I340 HydrophobicContact CD2-CG1 3.64Å; L314-I340 HydrophobicContact CG-CG1 4.16Å; L314-M424 HydrophobicContact CD1-CG 4.5Å; L314-F427 HydrophobicContact CB-CB 4.09Å; L314-F427 HydrophobicContact CD1-CB 3.92Å; L314-F427 HydrophobicContact CD2-CB 4.3Å; L314-F427 WeakPolarHBondContact CD2-O 3.37Å; L314-F427 HydrophobicContact CG-CB 4.32Å; L314-L428 HydrophobicContact CD1-CD2 4.02Å; L314-L428 HydrophobicContact CD1-CG 4.29Å; L314-L428 HydrophobicContact CD2-CD2 4.43Å
315	V	96.9	Very high	95.4	Very high	13 Å²	13	42.5 Å²	42.5	8%	0.079	22%	0.223	C	C	.	.	I	π-helix	trans	-73.3	-45.7	-179.4	176.1	0	0	0	0	111.6	L311 I313 N320 I340 Y344	L311-V315 WeakPolarHBondContact O-CG2 3.5Å; L311-V315 PolarHBondContact O-N 2.91Å; I313-V315 VanDerWaalsContact C-N 3.33Å; I313-V315 PolarHBondContact O-N 3.41Å; V315-N320 VanDerWaalsContact O-CB 3.24Å; V315-N320 WeakPolarHBondContact O-CB 3.26Å; V315-N320 PolarHBondContact O-N 3.38Å; V315-N320 PolarHBondContact O-ND2 3.05Å; V315-I340 HydrophobicContact CG2-CG1 4.33Å; V315-I340 HydrophobicContact CG2-CG2 4.4Å; V315-Y344 HydrophobicContact CG2-CG 4.26Å
316	R	95.9	Very high	95.5	Very high	110 Å²	110	47 Å²	47	42%	0.415	24%	0.242	S	C	.	.	I	π-helix	trans	-73	-56.7	-176.3	-69.2	178.7	-60.6	124.6	5.3	112.7	G312 I313 E418	G312-R316 VanDerWaalsContact O-CB 3.27Å; G312-R316 WeakPolarHBondContact O-CB 3.35Å; G312-R316 WeakPolarHBondContact O-CG 3.17Å; G312-R316 PolarHBondContact O-N 2.99Å; G312-R316 PolarHBondContact O-NE 2.59Å; I313-R316 PolarHBondContact O-N 3.2Å; R316-E418 IonicContact CZ-OE2 3.57Å; R316-E418 IonicContact NH1-OE1 3.26Å; R316-E418 IonicContact NH1-OE2 3.73Å; R316-E418 PolarHBondContact NH1-OE2 3.48Å; R316-E418 IonicContact NH2-OE2 3.41Å; R316-E418 PolarHBondContact NH2-OE2 2.8Å
317	H	94.8	Very high	95.7	Very high	36 Å²	36	46.1 Å²	46.1	17%	0.167	23%	0.234	C	C	.	.	I	π-helix	trans	-84.4	-34.2	-168.5	-69	-60	0	0	0	113.6	I313 S321 I413 N416 E418	I313-H317 PolarHBondContact O-N 2.89Å; H317-S321 WeakPolarHBondContact O-CB 3.12Å; H317-I413 HydrophobicContact CB-CG2 3.97Å; H317-I413 WeakPolarHBondContact O-CG2 3.36Å; H317-N416 PolarHBondContact CE1-ND2 2.53Å; H317-N416 PolarHBondContact ND1-ND2 3.35Å; H317-E418 IonicContact CD2-OE2 3.84Å; H317-E418 IonicContact CE1-OE2 2.78Å; H317-E418 IonicContact NE2-OE1 3.25Å; H317-E418 IonicContact NE2-OE2 2.62Å; H317-E418 PolarHBondContact NE2-OE2 3.38Å
318	F	95.9	Very high	95.6	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	24%	0.236	C	C	.	.	I	π-helix	trans	-98.5	-65.6	-178.1	-60.4	-84.3	0	0	0	111.9	I313 L314 N320 S321 L324 F337 L410 I413 E414 M424 F427	I313-F318 HydrophobicContact CG2-CE2 4.07Å; L314-F318 HydrophobicContact CD1-CB 4.23Å; L314-F318 HydrophobicContact CD1-CD2 4.47Å; L314-F318 PolarHBondContact O-N 3.24Å; F318-N320 PolarHBondContact O-N 3.06Å; F318-S321 PolarHBondContact O-N 2.9Å; F318-L324 HydrophobicContact CB-CD2 4.5Å; F318-F337 HydrophobicContact CB-CE1 3.99Å; F318-F337 HydrophobicContact CB-CZ 4.13Å; F318-L410 HydrophobicContact CD1-CD1 3.86Å; F318-L410 HydrophobicContact CE1-CD1 3.9Å; F318-I413 HydrophobicContact CD1-CG2 3.69Å; F318-I413 HydrophobicContact CE1-CB 4.2Å; F318-I413 HydrophobicContact CE1-CG2 3.5Å; F318-I413 HydrophobicContact CE2-CG2 4.39Å; F318-I413 HydrophobicContact CG-CG2 4.23Å; F318-I413 HydrophobicContact CZ-CG2 3.9Å; F318-E414 HydrophobicContact CE1-CG 3.85Å; F318-E414 HydrophobicContact CZ-CG 4.08Å; F318-M424 HydrophobicContact CB-CG 4.16Å; F318-M424 HydrophobicContact CB-SD 3.85Å; F318-M424 HydrophobicContact CD1-CB 3.68Å; F318-M424 HydrophobicContact CD1-CG 3.48Å; F318-M424 VanDerWaalsContact CD1-CG 3.48Å; F318-M424 HydrophobicContact CD1-SD 3.54Å; F318-M424 VanDerWaalsContact CD1-SD 3.54Å; F318-M424 HydrophobicContact CD2-CG 4.4Å; F318-M424 HydrophobicContact CE1-CB 3.54Å; F318-M424 HydrophobicContact CE1-CG 3.9Å; F318-M424 HydrophobicContact CE1-SD 4.38Å; F318-M424 HydrophobicContact CG-CB 4.33Å; F318-M424 HydrophobicContact CG-CG 3.76Å; F318-M424 HydrophobicContact CG-SD 3.94Å; F318-M424 HydrophobicContact CZ-CB 4.09Å; F318-M424 HydrophobicContact CZ-CG 4.5Å; F318-F427 AromaticContact CE2-CD2 3.87Å; F318-F427 HydrophobicContact CE2-CD2 3.87Å; F318-F427 HydrophobicContact CE2-CE2 4.03Å; F318-F427 HydrophobicContact CZ-CD2 4.31Å; F318-F427 HydrophobicContact CZ-CE2 4.38Å
319	K	96	Very high	95.7	Very high	44 Å²	44	49.1 Å²	49.1	19%	0.191	25%	0.254	C	S	.	.	I	π-helix	trans	-59.9	-45.4	-174.7	175.5	179	157.7	-78.6	0	113	L314 H333 F337 I340 S341	L314-K319 PolarHBondContact O-N 2.82Å; K319-H333 PolarHBondContact O-NE2 3.35Å; K319-F337 HydrophobicContact CB-CB 4.44Å; K319-F337 HydrophobicContact CB-CD1 3.75Å; K319-F337 HydrophobicContact CB-CD2 4.17Å; K319-F337 HydrophobicContact CB-CE1 3.98Å; K319-F337 HydrophobicContact CB-CE2 4.38Å; K319-F337 HydrophobicContact CB-CG 3.86Å; K319-F337 HydrophobicContact CB-CZ 4.29Å; K319-F337 HydrophobicContact CD-CB 4.07Å; K319-F337 HydrophobicContact CD-CG 4.4Å; K319-F337 HydrophobicContact CG-CB 4.1Å; K319-F337 HydrophobicContact CG-CD1 4.32Å; K319-F337 HydrophobicContact CG-CD2 4.12Å; K319-F337 HydrophobicContact CG-CG 3.92Å; K319-I340 HydrophobicContact CD-CG2 3.48Å; K319-I340 VanDerWaalsContact CD-CG2 3.48Å; K319-S341 WeakPolarHBondContact CE-OG 3.43Å; K319-S341 PolarHBondContact NZ-OG 3.39Å
320	N	96.4	Very high	95.7	Very high	92 Å²	92	50.3 Å²	50.3	49%	0.492	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.4	-173.7	-66.8	-7.2	0	0	0	113.4	V315 F318 A322	V315-N320 VanDerWaalsContact O-CB 3.24Å; V315-N320 WeakPolarHBondContact O-CB 3.26Å; V315-N320 PolarHBondContact O-N 3.38Å; V315-N320 PolarHBondContact O-ND2 3.05Å; F318-N320 PolarHBondContact O-N 3.06Å; N320-A322 PolarHBondContact O-N 2.89Å; N320-A322 VanDerWaalsContact O-N 3.15Å
321	S	96.3	Very high	95.6	Very high	21 Å²	21	52.4 Å²	52.4	15%	0.147	28%	0.279	C	S	.	.			trans	-63.8	116	177.4	170.3	0	0	0	0	111.7	H317 F318 A323 L324 R325	H317-S321 WeakPolarHBondContact O-CB 3.12Å; F318-S321 PolarHBondContact O-N 2.9Å; S321-A323 PolarHBondContact O-N 3.34Å; S321-A323 PolarHBondContact OG-N 3.42Å; S321-L324 PolarHBondContact O-N 3.18Å; S321-L324 PolarHBondContact OG-N 3.48Å; S321-L324 VanDerWaalsContact OG-N 3.14Å; S321-R325 VanDerWaalsContact O-CB 3.28Å; S321-R325 WeakPolarHBondContact O-CB 3.46Å; S321-R325 PolarHBondContact O-N 2.87Å
322	A	95.7	Very high	95.6	Very high	70 Å²	70	53.7 Å²	53.7	58%	0.579	29%	0.285	S	S	*	.	H	α-helix	trans	-65.4	-25.5	175.4	0	0	0	0	0	112.6	N320 K326	N320-A322 PolarHBondContact O-N 2.89Å; N320-A322 VanDerWaalsContact O-N 3.15Å; A322-K326 WeakPolarHBondContact O-CD 3.49Å; A322-K326 VanDerWaalsContact O-CG 3.24Å; A322-K326 WeakPolarHBondContact O-CG 3.25Å; A322-K326 PolarHBondContact O-N 3.14Å
323	A	95.4	Very high	95.6	Very high	53 Å²	53	54.9 Å²	54.9	44%	0.438	29%	0.289	S	S	.	.	H	α-helix	trans	-70.9	-54	172.7	0	0	0	0	0	110.3	S321 R325 K326 T409	S321-A323 PolarHBondContact O-N 3.34Å; S321-A323 PolarHBondContact OG-N 3.42Å; A323-R325 VanDerWaalsContact C-N 3.34Å; A323-R325 PolarHBondContact O-N 3.05Å; A323-K326 WeakPolarHBondContact O-CB 3.46Å; A323-K326 PolarHBondContact O-N 3.31Å; A323-K326 VanDerWaalsContact O-N 3.15Å; A323-T409 HydrophobicContact CB-CG2 3.78Å
324	L	95.3	Very high	95.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-43.3	-178.6	-163.1	65.2	0	0	0	111.2	F318 S321 K326 T327 M328 F337 F406 T409 L410 I413 M424	F318-L324 HydrophobicContact CB-CD2 4.5Å; S321-L324 PolarHBondContact O-N 3.18Å; S321-L324 PolarHBondContact OG-N 3.48Å; S321-L324 VanDerWaalsContact OG-N 3.14Å; L324-K326 VanDerWaalsContact C-N 3.27Å; L324-K326 PolarHBondContact O-N 3.11Å; L324-T327 PolarHBondContact O-N 3.13Å; L324-T327 PolarHBondContact O-OG1 3.44Å; L324-M328 HydrophobicContact CG-CE 3.95Å; L324-F337 HydrophobicContact CD2-CZ 4.32Å; L324-F406 HydrophobicContact CD1-CD2 3.66Å; L324-F406 HydrophobicContact CD1-CE2 3.64Å; L324-F406 HydrophobicContact CD2-CE2 4.46Å; L324-F406 HydrophobicContact CG-CD2 4.33Å; L324-F406 HydrophobicContact CG-CE2 4.12Å; L324-T409 HydrophobicContact CB-CG2 4.3Å; L324-T409 HydrophobicContact CD1-CG2 4.08Å; L324-L410 HydrophobicContact CD1-CB 4.16Å; L324-L410 HydrophobicContact CD1-CD1 4.24Å; L324-L410 HydrophobicContact CD2-CD1 4.22Å; L324-I413 HydrophobicContact CB-CD1 3.8Å; L324-I413 HydrophobicContact CD1-CD1 4.22Å; L324-I413 HydrophobicContact CD2-CD1 4.12Å; L324-I413 HydrophobicContact CG-CD1 4.26Å; L324-M424 HydrophobicContact CD2-SD 4.33Å
325	R	95.7	Very high	95.4	Very high	154 Å²	154	60.7 Å²	60.7	58%	0.581	32%	0.316	S	S	*	.	H	α-helix	trans	-60.8	-29.7	177.8	-174.6	175.4	174.5	-167.6	-2.4	113.7	S321 A323 T327	S321-R325 VanDerWaalsContact O-CB 3.28Å; S321-R325 WeakPolarHBondContact O-CB 3.46Å; S321-R325 PolarHBondContact O-N 2.87Å; A323-R325 VanDerWaalsContact C-N 3.34Å; A323-R325 PolarHBondContact O-N 3.05Å; R325-T327 PolarHBondContact O-N 2.84Å
326	K	96.3	Very high	95.3	Very high	183 Å²	183	60 Å²	60	80%	0.796	31%	0.312	S	S	*	.	H	α-helix	trans	-69.8	-18.9	175	-78.4	170.3	-177.8	-178.2	0	113.4	A322 A323 L324	A322-K326 WeakPolarHBondContact O-CD 3.49Å; A322-K326 VanDerWaalsContact O-CG 3.24Å; A322-K326 WeakPolarHBondContact O-CG 3.25Å; A322-K326 PolarHBondContact O-N 3.14Å; A323-K326 WeakPolarHBondContact O-CB 3.46Å; A323-K326 PolarHBondContact O-N 3.31Å; A323-K326 VanDerWaalsContact O-N 3.15Å; L324-K326 VanDerWaalsContact C-N 3.27Å; L324-K326 PolarHBondContact O-N 3.11Å
327	T	95.9	Very high	95.3	Very high	25 Å²	25	55 Å²	55	15%	0.153	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.7	-176.7	68.7	0	0	0	0	114.1	L324 R325 N403 A405 F406	L324-T327 PolarHBondContact O-N 3.13Å; L324-T327 PolarHBondContact O-OG1 3.44Å; R325-T327 PolarHBondContact O-N 2.84Å; T327-N403 PolarHBondContact O-ND2 3.04Å; T327-A405 HydrophobicContact CG2-CB 4.18Å; T327-F406 WeakPolarHBondContact OG1-CA 3.45Å; T327-F406 WeakPolarHBondContact OG1-CB 3.24Å; T327-F406 WeakPolarHBondContact OG1-CD2 3.43Å
328	M	95.8	Very high	95.3	Very high	21 Å²	21	54.1 Å²	54.1	10%	0.103	29%	0.291	C	S	.	.	S	Bend	trans	-137.1	156.8	-172.4	63.4	-179	65.8	0	0	112.2	L324 E332 H333 L336 L399 F406	L324-M328 HydrophobicContact CG-CE 3.95Å; M328-E332 HydrophobicContact CB-CB 4.19Å; M328-H333 HydrophobicContact CG-CB 4.16Å; M328-H333 VanDerWaalsContact SD-CA 3.51Å; M328-H333 HydrophobicContact SD-CB 3.58Å; M328-H333 VanDerWaalsContact SD-CB 3.58Å; M328-L336 HydrophobicContact CE-CD2 3.88Å; M328-L336 HydrophobicContact SD-CD2 4.4Å; M328-L399 HydrophobicContact CB-CD1 4.46Å; M328-L399 HydrophobicContact CB-CD2 4.38Å; M328-L399 HydrophobicContact CE-CD1 4.33Å; M328-F406 HydrophobicContact CE-CD2 3.63Å; M328-F406 HydrophobicContact CE-CE2 3.44Å; M328-F406 VanDerWaalsContact CE-CE2 3.44Å
329	T	96.1	Very high	95.4	Very high	76 Å²	76	55.3 Å²	55.3	47%	0.466	30%	0.298	S	S	.	.			trans	-71.2	160.6	172	62.3	0	0	0	0	111.8	T331 E332 H333	T329-T331 PolarHBondContact O-N 3.09Å; T329-E332 WeakPolarHBondContact CB-OE2 3.43Å; T329-E332 WeakPolarHBondContact CG2-OE2 3.46Å; T329-E332 PolarHBondContact N-OE2 2.93Å; T329-E332 PolarHBondContact O-N 2.76Å; T329-E332 VanDerWaalsContact O-N 3.16Å; T329-E332 WeakPolarHBondContact OG1-CB 3.49Å; T329-E332 VanDerWaalsContact OG1-CG 3.25Å; T329-E332 WeakPolarHBondContact OG1-CG 3.47Å; T329-E332 PolarHBondContact OG1-N 3.28Å; T329-E332 PolarHBondContact OG1-OE2 3.41Å; T329-H333 PolarHBondContact O-N 3.38Å
330	T	94.3	Very high	95.4	Very high	116 Å²	116	53.3 Å²	53.3	71%	0.712	29%	0.289	S	S	*	.	H	α-helix	trans	-57.8	-36.7	174.5	-48.8	0	0	0	0	112.3	H333 H334	T330-H333 PolarHBondContact O-N 2.92Å; T330-H334 WeakPolarHBondContact O-CB 3.28Å; T330-H334 PolarHBondContact O-N 3.35Å
331	T	92.8	Very high	95.5	Very high	76 Å²	76	50.6 Å²	50.6	47%	0.466	28%	0.278	S	S	.	.	H	α-helix	trans	-66.2	-42.7	176.3	-48.5	0	0	0	0	111.6	T329 H334 H335	T329-T331 PolarHBondContact O-N 3.09Å; T331-H334 PolarHBondContact O-N 3.45Å; T331-H335 WeakPolarHBondContact O-CB 3.43Å; T331-H335 PolarHBondContact O-CD2 2.9Å; T331-H335 VanDerWaalsContact O-CG 3.26Å; T331-H335 PolarHBondContact O-N 3.27Å
332	E	94.9	Very high	95.5	Very high	26 Å²	26	53.2 Å²	53.2	12%	0.121	29%	0.292	C	S	.	.	H	α-helix	trans	-68.4	-38.5	176.7	-70.8	161.5	142.7	0	0	112.1	M328 T329 H334 H335 L336 T395 K398	M328-E332 HydrophobicContact CB-CB 4.19Å; T329-E332 WeakPolarHBondContact CB-OE2 3.43Å; T329-E332 WeakPolarHBondContact CG2-OE2 3.46Å; T329-E332 PolarHBondContact N-OE2 2.93Å; T329-E332 PolarHBondContact O-N 2.76Å; T329-E332 VanDerWaalsContact O-N 3.16Å; T329-E332 WeakPolarHBondContact OG1-CB 3.49Å; T329-E332 VanDerWaalsContact OG1-CG 3.25Å; T329-E332 WeakPolarHBondContact OG1-CG 3.47Å; T329-E332 PolarHBondContact OG1-N 3.28Å; T329-E332 PolarHBondContact OG1-OE2 3.41Å; E332-H334 VanDerWaalsContact C-N 3.34Å; E332-H334 PolarHBondContact O-N 3.36Å; E332-H335 PolarHBondContact O-N 2.98Å; E332-L336 WeakPolarHBondContact O-CB 3.5Å; E332-L336 PolarHBondContact O-N 3.38Å; E332-T395 HydrophobicContact CB-CG2 3.85Å; E332-T395 HydrophobicContact CG-CG2 4.04Å; E332-K398 IonicContact OE1-NZ 2.68Å; E332-K398 PolarHBondContact OE1-NZ 3.39Å
333	H	95.9	Very high	95.7	Very high	30 Å²	30	49.9 Å²	49.9	14%	0.139	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-43.9	172.2	-171.8	-94.1	0	0	0	111.5	K319 M328 T329 T330 L336 F337	K319-H333 PolarHBondContact O-NE2 3.35Å; M328-H333 HydrophobicContact CG-CB 4.16Å; M328-H333 VanDerWaalsContact SD-CA 3.51Å; M328-H333 HydrophobicContact SD-CB 3.58Å; M328-H333 VanDerWaalsContact SD-CB 3.58Å; T329-H333 PolarHBondContact O-N 3.38Å; T330-H333 PolarHBondContact O-N 2.92Å; H333-L336 PolarHBondContact O-N 3.35Å; H333-F337 AromaticContact CD2-CD2 3.67Å; H333-F337 AromaticContact CD2-CE2 3.72Å; H333-F337 AromaticContact CE1-CD2 3.99Å; H333-F337 AromaticContact NE2-CD2 3.6Å; H333-F337 AromaticContact NE2-CE2 3.79Å; H333-F337 WeakPolarHBondContact O-CD2 3.17Å; H333-F337 PolarHBondContact O-N 3.01Å; H333-F337 VanDerWaalsContact O-N 3.08Å
334	H	93.8	Very high	95.8	Very high	85 Å²	85	50.5 Å²	50.5	39%	0.394	26%	0.256	S	S	.	.	H	α-helix	trans	-66.8	-41.8	176.5	-176.1	40.7	0	0	0	112.6	T330 T331 E332 S338	T330-H334 WeakPolarHBondContact O-CB 3.28Å; T330-H334 PolarHBondContact O-N 3.35Å; T331-H334 PolarHBondContact O-N 3.45Å; E332-H334 VanDerWaalsContact C-N 3.34Å; E332-H334 PolarHBondContact O-N 3.36Å; H334-S338 WeakPolarHBondContact O-CA 3.42Å; H334-S338 PolarHBondContact O-N 3.45Å
335	H	92.7	Very high	95.9	Very high	42 Å²	42	54.2 Å²	54.2	19%	0.194	28%	0.279	C	S	.	.	H	α-helix	trans	-67.7	-34	176.6	-70.8	-176	0	0	0	112.8	T331 E332 F391 Q392 T395	T331-H335 WeakPolarHBondContact O-CB 3.43Å; T331-H335 PolarHBondContact O-CD2 2.9Å; T331-H335 VanDerWaalsContact O-CG 3.26Å; T331-H335 PolarHBondContact O-N 3.27Å; E332-H335 PolarHBondContact O-N 2.98Å; H335-F391 HydrophobicContact CB-CB 4.47Å; H335-Q392 WeakPolarHBondContact O-CA 3.44Å; H335-Q392 WeakPolarHBondContact O-CG 3.24Å; H335-Q392 PolarHBondContact O-N 3.49Å; H335-T395 HydrophobicContact CB-CG2 4.28Å; H335-T395 WeakPolarHBondContact CB-OG1 3.12Å
336	L	95.2	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-76.4	-37.7	-178.4	-177.9	61.5	0	0	0	113.1	M328 E332 H333 T395 L396 L399 F406 M424 L428	M328-L336 HydrophobicContact CE-CD2 3.88Å; M328-L336 HydrophobicContact SD-CD2 4.4Å; E332-L336 WeakPolarHBondContact O-CB 3.5Å; E332-L336 PolarHBondContact O-N 3.38Å; H333-L336 PolarHBondContact O-N 3.35Å; L336-T395 HydrophobicContact CB-CG2 4.33Å; L336-L396 HydrophobicContact CD1-CB 3.87Å; L336-L396 HydrophobicContact CD1-CD1 4.36Å; L336-L399 HydrophobicContact CD2-CD1 4.44Å; L336-F406 HydrophobicContact CD2-CE2 4.29Å; L336-F406 HydrophobicContact CD2-CZ 4.48Å; L336-M424 HydrophobicContact CD1-CE 4.19Å; L336-M424 HydrophobicContact CD2-CE 4.08Å; L336-L428 HydrophobicContact CD1-CD1 3.87Å; L336-L428 WeakPolarHBondContact O-CD2 3.42Å
337	F	96.2	Very high	96	Very high	3 Å²	3	39 Å²	39	1%	0.013	22%	0.219	C	C	.	.	H	α-helix	trans	-110.9	-7.2	-175.7	-62	-67.2	0	0	0	114.6	L314 F318 K319 L324 H333 N339 I340 M424 L428	L314-F337 HydrophobicContact CD1-CD1 4.45Å; L314-F337 HydrophobicContact CD1-CE1 4.17Å; F318-F337 HydrophobicContact CB-CE1 3.99Å; F318-F337 HydrophobicContact CB-CZ 4.13Å; K319-F337 HydrophobicContact CB-CB 4.44Å; K319-F337 HydrophobicContact CB-CD1 3.75Å; K319-F337 HydrophobicContact CB-CD2 4.17Å; K319-F337 HydrophobicContact CB-CE1 3.98Å; K319-F337 HydrophobicContact CB-CE2 4.38Å; K319-F337 HydrophobicContact CB-CG 3.86Å; K319-F337 HydrophobicContact CB-CZ 4.29Å; K319-F337 HydrophobicContact CD-CB 4.07Å; K319-F337 HydrophobicContact CD-CG 4.4Å; K319-F337 HydrophobicContact CG-CB 4.1Å; K319-F337 HydrophobicContact CG-CD1 4.32Å; K319-F337 HydrophobicContact CG-CD2 4.12Å; K319-F337 HydrophobicContact CG-CG 3.92Å; L324-F337 HydrophobicContact CD2-CZ 4.32Å; H333-F337 AromaticContact CD2-CD2 3.67Å; H333-F337 AromaticContact CD2-CE2 3.72Å; H333-F337 AromaticContact CE1-CD2 3.99Å; H333-F337 AromaticContact NE2-CD2 3.6Å; H333-F337 AromaticContact NE2-CE2 3.79Å; H333-F337 WeakPolarHBondContact O-CD2 3.17Å; H333-F337 PolarHBondContact O-N 3.01Å; H333-F337 VanDerWaalsContact O-N 3.08Å; F337-N339 PolarHBondContact O-N 2.83Å; F337-N339 VanDerWaalsContact O-N 3.1Å; F337-I340 HydrophobicContact CB-CG2 4.02Å; F337-I340 VanDerWaalsContact O-CB 3.31Å; F337-I340 WeakPolarHBondContact O-CB 3.33Å; F337-I340 VanDerWaalsContact O-CG2 3.26Å; F337-I340 WeakPolarHBondContact O-CG2 3.33Å; F337-I340 PolarHBondContact O-N 3.14Å; F337-M424 HydrophobicContact CE1-SD 4.05Å; F337-M424 HydrophobicContact CZ-SD 3.99Å; F337-L428 HydrophobicContact CD1-CD2 4.22Å; F337-L428 HydrophobicContact CE1-CD2 4.43Å
338	S	95.4	Very high	96.1	Very high	18 Å²	18	40.5 Å²	40.5	13%	0.126	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	-115.1	178.5	-173.7	0	0	0	0	112.2	H334 N388	H334-S338 WeakPolarHBondContact O-CA 3.42Å; H334-S338 PolarHBondContact O-N 3.45Å; S338-N388 PolarHBondContact OG-ND2 2.97Å
339	N	96.4	Very high	96.2	Very high	27 Å²	27	42.2 Å²	42.2	14%	0.144	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	25.6	-179.9	61.7	-49.6	0	0	0	111.9	F337 S341 V342 I343 P381 Y385	F337-N339 PolarHBondContact O-N 2.83Å; F337-N339 VanDerWaalsContact O-N 3.1Å; N339-S341 PolarHBondContact O-N 3.22Å; N339-S341 VanDerWaalsContact O-N 3.09Å; N339-V342 HydrophobicContact CB-CG2 4.26Å; N339-V342 WeakPolarHBondContact O-CA 3.28Å; N339-V342 WeakPolarHBondContact O-CB 3.37Å; N339-V342 PolarHBondContact O-N 3.4Å; N339-I343 PolarHBondContact O-N 3.41Å; N339-P381 PolarHBondContact ND2-O 3.26Å; N339-Y385 VanDerWaalsContact OD1-CA 3.29Å; N339-Y385 WeakPolarHBondContact OD1-CA 3.41Å; N339-Y385 WeakPolarHBondContact OD1-CB 3.2Å; N339-Y385 PolarHBondContact OD1-N 3.15Å
340	I	97.6	Very high	96.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-55.3	-30.7	-173.5	-167.5	65.5	0	0	0	114.4	L311 L314 V315 K319 F337 V342 I343 Y344 Y385 P431	L311-I340 HydrophobicContact CD2-CD1 4Å; L314-I340 HydrophobicContact CD2-CD1 3.73Å; L314-I340 HydrophobicContact CD2-CG1 3.64Å; L314-I340 HydrophobicContact CG-CG1 4.16Å; V315-I340 HydrophobicContact CG2-CG1 4.33Å; V315-I340 HydrophobicContact CG2-CG2 4.4Å; K319-I340 HydrophobicContact CD-CG2 3.48Å; K319-I340 VanDerWaalsContact CD-CG2 3.48Å; F337-I340 HydrophobicContact CB-CG2 4.02Å; F337-I340 VanDerWaalsContact O-CB 3.31Å; F337-I340 WeakPolarHBondContact O-CB 3.33Å; F337-I340 VanDerWaalsContact O-CG2 3.26Å; F337-I340 WeakPolarHBondContact O-CG2 3.33Å; F337-I340 PolarHBondContact O-N 3.14Å; I340-V342 VanDerWaalsContact C-N 3.27Å; I340-V342 PolarHBondContact O-N 3.41Å; I340-I343 HydrophobicContact CD1-CB 4.21Å; I340-I343 HydrophobicContact CD1-CG1 4.4Å; I340-I343 HydrophobicContact CD1-CG2 4.41Å; I340-I343 WeakPolarHBondContact O-CB 3.4Å; I340-I343 PolarHBondContact O-N 3.24Å; I340-Y344 PolarHBondContact O-N 2.93Å; I340-Y385 HydrophobicContact CB-CD2 4.4Å; I340-Y385 HydrophobicContact CB-CE2 3.9Å; I340-Y385 HydrophobicContact CD1-CD2 4.28Å; I340-Y385 HydrophobicContact CD1-CE2 3.71Å; I340-Y385 HydrophobicContact CG1-CE2 4.32Å; I340-P431 HydrophobicContact CD1-CG 3.58Å
341	S	97.4	Very high	96.4	Very high	36 Å²	36	34 Å²	34	25%	0.252	19%	0.185	S	C	.	.	H	α-helix	trans	-69.6	-23.4	174.6	-68.4	0	0	0	0	113.3	K319 N339 T345	K319-S341 WeakPolarHBondContact CE-OG 3.43Å; K319-S341 PolarHBondContact NZ-OG 3.39Å; N339-S341 PolarHBondContact O-N 3.22Å; N339-S341 VanDerWaalsContact O-N 3.09Å; S341-T345 PolarHBondContact O-N 3.38Å; S341-T345 PolarHBondContact O-OG1 3.19Å; S341-T345 VanDerWaalsContact O-OG1 3.09Å
342	V	97.8	Very high	96.7	Very high	75 Å²	75	35.3 Å²	35.3	46%	0.455	19%	0.185	S	C	.	.	H	α-helix	trans	-74.8	-44.2	170.1	-170.6	0	0	0	0	109.8	N339 I340 Y344 T345 T346 P381	N339-V342 HydrophobicContact CB-CG2 4.26Å; N339-V342 WeakPolarHBondContact O-CA 3.28Å; N339-V342 WeakPolarHBondContact O-CB 3.37Å; N339-V342 PolarHBondContact O-N 3.4Å; I340-V342 VanDerWaalsContact C-N 3.27Å; I340-V342 PolarHBondContact O-N 3.41Å; V342-Y344 VanDerWaalsContact C-N 3.3Å; V342-Y344 PolarHBondContact O-N 2.9Å; V342-T345 PolarHBondContact O-N 3.46Å; V342-T346 PolarHBondContact O-N 3.47Å; V342-T346 PolarHBondContact O-OG1 2.97Å; V342-P381 HydrophobicContact CB-CB 4.35Å; V342-P381 HydrophobicContact CG1-CB 3.85Å; V342-P381 HydrophobicContact CG1-CG 3.66Å
343	I	98	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-53.3	-49.1	173.4	-58	-72.4	0	0	0	110.5	L311 N339 I340 T345 T346 S347 P381 Y382 Y385 P431	L311-I343 HydrophobicContact CD1-CG2 4.02Å; N339-I343 PolarHBondContact O-N 3.41Å; I340-I343 HydrophobicContact CD1-CB 4.21Å; I340-I343 HydrophobicContact CD1-CG1 4.4Å; I340-I343 HydrophobicContact CD1-CG2 4.41Å; I340-I343 WeakPolarHBondContact O-CB 3.4Å; I340-I343 PolarHBondContact O-N 3.24Å; I343-T345 PolarHBondContact O-N 3.06Å; I343-T346 PolarHBondContact O-N 2.95Å; I343-S347 WeakPolarHBondContact O-CB 3.35Å; I343-S347 PolarHBondContact O-N 2.9Å; I343-S347 PolarHBondContact O-OG 2.78Å; I343-P381 VanDerWaalsContact CD1-C 3.5Å; I343-P381 HydrophobicContact CD1-CB 3.96Å; I343-P381 WeakPolarHBondContact CD1-O 3.28Å; I343-Y382 HydrophobicContact CD1-CD1 4.01Å; I343-Y382 HydrophobicContact CD1-CD2 3.98Å; I343-Y382 HydrophobicContact CD1-CE1 4.31Å; I343-Y382 HydrophobicContact CD1-CE2 4.29Å; I343-Y382 HydrophobicContact CD1-CG 3.83Å; I343-Y382 HydrophobicContact CG2-CE1 4.03Å; I343-Y382 HydrophobicContact CG2-CE2 4.44Å; I343-Y385 HydrophobicContact CG1-CD2 4.34Å; I343-Y385 HydrophobicContact CG1-CG 4.36Å; I343-P431 HydrophobicContact CG2-CB 4.24Å; I343-P431 HydrophobicContact CG2-CG 4.21Å
344	Y	97.9	Very high	96.8	Very high	66 Å²	66	35.9 Å²	35.9	26%	0.259	19%	0.189	S	C	.	.	H	α-helix	trans	-58.7	-43.7	178.8	177.8	-102.4	0	0	0	112.7	L308 L311 V315 I340 V342 Q348	L308-Y344 HydrophobicContact CD1-CD2 3.73Å; L308-Y344 HydrophobicContact CD1-CE2 3.5Å; L308-Y344 HydrophobicContact CG-CE2 4.21Å; L311-Y344 HydrophobicContact CB-CD2 3.78Å; V315-Y344 HydrophobicContact CG2-CG 4.26Å; I340-Y344 PolarHBondContact O-N 2.93Å; V342-Y344 VanDerWaalsContact C-N 3.3Å; V342-Y344 PolarHBondContact O-N 2.9Å; Y344-Q348 WeakPolarHBondContact O-CB 3.4Å; Y344-Q348 PolarHBondContact O-N 3.34Å
345	T	97.7	Very high	96.9	Very high	79 Å²	79	35.8 Å²	35.8	49%	0.485	19%	0.189	S	C	.	.	H	α-helix	trans	-66.9	-43.3	176.2	-56.1	0	0	0	0	112.2	S341 V342 I343 Q348 C349	S341-T345 PolarHBondContact O-N 3.38Å; S341-T345 PolarHBondContact O-OG1 3.19Å; S341-T345 VanDerWaalsContact O-OG1 3.09Å; V342-T345 PolarHBondContact O-N 3.46Å; I343-T345 PolarHBondContact O-N 3.06Å; T345-Q348 PolarHBondContact O-N 3.39Å; T345-C349 PolarHBondContact O-N 2.96Å; T345-C349 PolarHBondContact O-SG 2.94Å
346	T	97.3	Very high	97	Very high	17 Å²	17	39.6 Å²	39.6	10%	0.104	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-50.2	174.5	-72.3	0	0	0	0	111.2	V342 I343 Q348 C349 F350 H378 F379 Y382	V342-T346 PolarHBondContact O-N 3.47Å; V342-T346 PolarHBondContact O-OG1 2.97Å; I343-T346 PolarHBondContact O-N 2.95Å; T346-Q348 VanDerWaalsContact C-N 3.32Å; T346-Q348 PolarHBondContact O-N 3.12Å; T346-C349 PolarHBondContact O-N 3.4Å; T346-C349 VanDerWaalsContact O-N 3.14Å; T346-F350 PolarHBondContact O-N 3.37Å; T346-H378 VanDerWaalsContact CG2-O 3.22Å; T346-H378 WeakPolarHBondContact CG2-O 3.38Å; T346-H378 PolarHBondContact OG1-O 3.02Å; T346-F379 HydrophobicContact CG2-CD1 3.4Å; T346-F379 VanDerWaalsContact CG2-CD1 3.4Å; T346-F379 HydrophobicContact CG2-CE1 3.66Å; T346-Y382 HydrophobicContact CG2-CE2 4.21Å
347	S	96.7	Very high	97	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-37.3	179.5	-46.7	0	0	0	0	111.4	Y307 L311 I343 C349 F350 F351 Y382	Y307-S347 WeakPolarHBondContact CE1-OG 3.44Å; L311-S347 WeakPolarHBondContact CD1-OG 3.38Å; I343-S347 WeakPolarHBondContact O-CB 3.35Å; I343-S347 PolarHBondContact O-N 2.9Å; I343-S347 PolarHBondContact O-OG 2.78Å; S347-C349 VanDerWaalsContact C-N 3.34Å; S347-C349 PolarHBondContact O-N 3.49Å; S347-F350 PolarHBondContact O-N 3.49Å; S347-F351 WeakPolarHBondContact O-CB 3.38Å; S347-F351 PolarHBondContact O-N 3.39Å; S347-Y382 PolarHBondContact OG-OH 2.96Å
348	Q	97.7	Very high	96.8	Very high	57 Å²	57	43.4 Å²	43.4	27%	0.266	22%	0.221	S	C	.	.	H	α-helix	trans	-64.7	-37.2	174.8	-167.5	-170.9	103.1	0	0	112.3	L308 Y344 T345 T346 K352	L308-Q348 HydrophobicContact CD1-CB 3.98Å; L308-Q348 HydrophobicContact CD2-CB 4.32Å; L308-Q348 HydrophobicContact CD2-CG 4.24Å; Y344-Q348 WeakPolarHBondContact O-CB 3.4Å; Y344-Q348 PolarHBondContact O-N 3.34Å; T345-Q348 PolarHBondContact O-N 3.39Å; T346-Q348 VanDerWaalsContact C-N 3.32Å; T346-Q348 PolarHBondContact O-N 3.12Å; Q348-K352 HydrophobicContact CG-CD 4.34Å; Q348-K352 WeakPolarHBondContact O-CB 3.39Å; Q348-K352 WeakPolarHBondContact O-CD 3.5Å; Q348-K352 VanDerWaalsContact O-CG 3.25Å; Q348-K352 WeakPolarHBondContact O-CG 3.38Å; Q348-K352 PolarHBondContact O-N 3.44Å; Q348-K352 VanDerWaalsContact O-N 3.08Å
349	C	98	Very high	96.5	Very high	56 Å²	56	48.1 Å²	48.1	38%	0.378	24%	0.244	S	C	.	.	H	α-helix	trans	-68.6	-45.8	175.6	-61.9	0	0	0	0	111	T345 T346 S347 F351 K352 D353	T345-C349 PolarHBondContact O-N 2.96Å; T345-C349 PolarHBondContact O-SG 2.94Å; T346-C349 PolarHBondContact O-N 3.4Å; T346-C349 VanDerWaalsContact O-N 3.14Å; S347-C349 VanDerWaalsContact C-N 3.34Å; S347-C349 PolarHBondContact O-N 3.49Å; C349-F351 PolarHBondContact O-N 3.23Å; C349-K352 PolarHBondContact O-N 2.91Å; C349-D353 PolarHBondContact O-N 3.17Å; C349-D353 VanDerWaalsContact O-N 3.13Å
350	F	98.3	Very high	96.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-45.4	175.4	176.5	-127.8	0	0	0	112.4	E304 T346 S347 K352 D353 L354 I370 V371 H374 F379 L438	E304-F350 VanDerWaalsContact CD-CD1 3.46Å; E304-F350 HydrophobicContact CG-CD1 3.91Å; E304-F350 HydrophobicContact CG-CE1 4.15Å; E304-F350 WeakPolarHBondContact OE2-CE1 3.31Å; T346-F350 PolarHBondContact O-N 3.37Å; S347-F350 PolarHBondContact O-N 3.49Å; F350-K352 PolarHBondContact O-N 3.35Å; F350-D353 PolarHBondContact O-N 2.69Å; F350-L354 HydrophobicContact CD1-CD1 4.35Å; F350-L354 HydrophobicContact CD2-CD1 4.35Å; F350-L354 HydrophobicContact CD2-CG 4.4Å; F350-L354 HydrophobicContact CE1-CD1 3.9Å; F350-L354 HydrophobicContact CE2-CD1 3.9Å; F350-L354 HydrophobicContact CE2-CD2 4.35Å; F350-L354 HydrophobicContact CE2-CG 4.09Å; F350-L354 HydrophobicContact CZ-CD1 3.66Å; F350-L354 HydrophobicContact CZ-CG 4.35Å; F350-L354 WeakPolarHBondContact O-CG 3.39Å; F350-L354 PolarHBondContact O-N 3.1Å; F350-L354 VanDerWaalsContact O-N 3.17Å; F350-I370 HydrophobicContact CD2-CG2 4.06Å; F350-I370 HydrophobicContact CE2-CG2 4.12Å; F350-V371 HydrophobicContact CE2-CB 4.4Å; F350-V371 HydrophobicContact CE2-CG2 3.88Å; F350-V371 HydrophobicContact CZ-CG2 3.99Å; F350-H374 VanDerWaalsContact CA-CE1 3.48Å; F350-H374 WeakPolarHBondContact CA-CE1 3.41Å; F350-H374 HydrophobicContact CD2-CB 3.95Å; F350-H374 AromaticContact CD2-CD2 3.79Å; F350-H374 AromaticContact CD2-CG 3.72Å; F350-H374 PolarHBondContact N-CE1 2.92Å; F350-F379 HydrophobicContact CB-CE1 4.12Å; F350-F379 HydrophobicContact CB-CZ 4.21Å; F350-F379 HydrophobicContact CD1-CE1 4.49Å; F350-F379 AromaticContact CD1-CZ 3.81Å; F350-F379 HydrophobicContact CD1-CZ 3.81Å; F350-F379 HydrophobicContact CD2-CZ 4.16Å; F350-F379 HydrophobicContact CE1-CZ 4.17Å; F350-F379 HydrophobicContact CE2-CZ 4.5Å; F350-F379 HydrophobicContact CG-CE1 4.22Å; F350-F379 AromaticContact CG-CZ 3.81Å; F350-F379 HydrophobicContact CG-CZ 3.81Å; F350-F379 HydrophobicContact CZ-CZ 4.49Å; F350-L438 HydrophobicContact CE1-CD1 4.49Å; F350-L438 HydrophobicContact CE1-CD2 4.32Å; F350-L438 HydrophobicContact CZ-CD2 4.42Å
351	F	97.8	Very high	95.8	Very high	21 Å²	21	56.7 Å²	56.7	9%	0.092	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-43.2	174.9	-178	-107.2	0	0	0	112.7	I301 E304 H305 L308 S347 C349 D353 L354 E355	I301-F351 HydrophobicContact CG2-CE2 4.18Å; E304-F351 HydrophobicContact CB-CD2 4.01Å; E304-F351 HydrophobicContact CG-CB 3.88Å; E304-F351 HydrophobicContact CG-CD2 3.94Å; E304-F351 HydrophobicContact CG-CG 4.37Å; H305-F351 HydrophobicContact CB-CD2 4.33Å; H305-F351 HydrophobicContact CB-CE2 3.65Å; H305-F351 HydrophobicContact CB-CZ 3.94Å; H305-F351 AromaticContact CD2-CZ 3.92Å; L308-F351 HydrophobicContact CD2-CB 3.97Å; L308-F351 HydrophobicContact CD2-CD1 4.01Å; L308-F351 HydrophobicContact CD2-CG 4.11Å; S347-F351 WeakPolarHBondContact O-CB 3.38Å; S347-F351 PolarHBondContact O-N 3.39Å; C349-F351 PolarHBondContact O-N 3.23Å; F351-D353 VanDerWaalsContact C-N 3.32Å; F351-D353 PolarHBondContact O-N 3.36Å; F351-L354 PolarHBondContact O-N 2.86Å; F351-E355 HydrophobicContact CE1-CB 4.14Å; F351-E355 HydrophobicContact CE1-CG 4.4Å; F351-E355 WeakPolarHBondContact CE1-OE1 3.29Å; F351-E355 HydrophobicContact CZ-CB 4.16Å; F351-E355 HydrophobicContact CZ-CG 4.47Å; F351-E355 VanDerWaalsContact O-CB 3.27Å; F351-E355 WeakPolarHBondContact O-CB 3.48Å; F351-E355 PolarHBondContact O-N 2.9Å
352	K	97.8	Very high	95.3	Very high	103 Å²	103	58 Å²	58	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-39	179	-80.1	167	170.5	173.2	0	112.9	Q348 C349 F350 K356	Q348-K352 HydrophobicContact CG-CD 4.34Å; Q348-K352 WeakPolarHBondContact O-CB 3.39Å; Q348-K352 WeakPolarHBondContact O-CD 3.5Å; Q348-K352 VanDerWaalsContact O-CG 3.25Å; Q348-K352 WeakPolarHBondContact O-CG 3.38Å; Q348-K352 PolarHBondContact O-N 3.44Å; Q348-K352 VanDerWaalsContact O-N 3.08Å; C349-K352 PolarHBondContact O-N 2.91Å; F350-K352 PolarHBondContact O-N 3.35Å; K352-K356 VanDerWaalsContact O-CB 3.28Å; K352-K356 WeakPolarHBondContact O-CB 3.49Å; K352-K356 PolarHBondContact O-N 3.47Å
353	D	97.8	Very high	94.9	Very high	67 Å²	67	56.5 Å²	56.5	36%	0.358	28%	0.278	S	S	.	.	H	α-helix	trans	-70.6	-38.7	177.9	-66.3	-28.9	0	0	0	111.6	C349 F350 F351 R357 I370 H374	C349-D353 PolarHBondContact O-N 3.17Å; C349-D353 VanDerWaalsContact O-N 3.13Å; F350-D353 PolarHBondContact O-N 2.69Å; F351-D353 VanDerWaalsContact C-N 3.32Å; F351-D353 PolarHBondContact O-N 3.36Å; D353-R357 PolarHBondContact O-N 3.3Å; D353-I370 HydrophobicContact CB-CD1 4.48Å; D353-I370 HydrophobicContact CB-CG2 3.7Å; D353-H374 IonicContact OD2-CD2 2.74Å; D353-H374 IonicContact OD2-CE1 3.84Å; D353-H374 IonicContact OD2-NE2 2.84Å; D353-H374 PolarHBondContact OD2-NE2 3.04Å
354	L	96.3	Very high	94.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-46.1	172.7	-71	177.3	0	0	0	112.6	I300 I301 E304 F350 F351 K356 R357 H358 I367 I370	I300-L354 HydrophobicContact CG2-CD1 4.17Å; I301-L354 HydrophobicContact CG1-CB 4.19Å; I301-L354 HydrophobicContact CG1-CD1 4.46Å; I301-L354 HydrophobicContact CG1-CD2 4.47Å; E304-L354 HydrophobicContact CB-CD1 4.39Å; E304-L354 HydrophobicContact CG-CD1 4.47Å; F350-L354 HydrophobicContact CD1-CD1 4.35Å; F350-L354 HydrophobicContact CD2-CD1 4.35Å; F350-L354 HydrophobicContact CD2-CG 4.4Å; F350-L354 HydrophobicContact CE1-CD1 3.9Å; F350-L354 HydrophobicContact CE2-CD1 3.9Å; F350-L354 HydrophobicContact CE2-CD2 4.35Å; F350-L354 HydrophobicContact CE2-CG 4.09Å; F350-L354 HydrophobicContact CZ-CD1 3.66Å; F350-L354 HydrophobicContact CZ-CG 4.35Å; F350-L354 WeakPolarHBondContact O-CG 3.39Å; F350-L354 PolarHBondContact O-N 3.1Å; F350-L354 VanDerWaalsContact O-N 3.17Å; F351-L354 PolarHBondContact O-N 2.86Å; L354-K356 VanDerWaalsContact C-N 3.33Å; L354-K356 PolarHBondContact O-N 3.05Å; L354-R357 PolarHBondContact O-N 2.97Å; L354-H358 PolarHBondContact O-N 3.21Å; L354-I367 HydrophobicContact CD2-CB 3.95Å; L354-I367 HydrophobicContact CD2-CD1 4.1Å; L354-I367 HydrophobicContact CD2-CG2 4.01Å; L354-I370 HydrophobicContact CD2-CD1 4.29Å; L354-I370 HydrophobicContact CD2-CG2 4.24Å; L354-I370 HydrophobicContact CG-CG2 4.44Å
355	E	94.8	Very high	94.4	Very high	84 Å²	84	60.4 Å²	60.4	39%	0.393	29%	0.293	S	S	.	.	H	α-helix	trans	-60.9	-42.1	176.6	179.2	176.9	-116	0	0	111	F351 H358 N359	F351-E355 HydrophobicContact CE1-CB 4.14Å; F351-E355 HydrophobicContact CE1-CG 4.4Å; F351-E355 WeakPolarHBondContact CE1-OE1 3.29Å; F351-E355 HydrophobicContact CZ-CB 4.16Å; F351-E355 HydrophobicContact CZ-CG 4.47Å; F351-E355 VanDerWaalsContact O-CB 3.27Å; F351-E355 WeakPolarHBondContact O-CB 3.48Å; F351-E355 PolarHBondContact O-N 2.9Å; E355-H358 PolarHBondContact O-N 3.12Å; E355-N359 WeakPolarHBondContact O-CB 3.24Å; E355-N359 PolarHBondContact O-N 3.31Å; E355-N359 PolarHBondContact O-ND2 3.34Å
356	K	95.4	Very high	94.1	Very high	122 Å²	122	57.3 Å²	57.3	53%	0.53	27%	0.273	S	S	.	.	H	α-helix	trans	-58.9	-48.1	172.7	-178.7	175.4	-180	-79.1	0	111.7	K352 L354 H358 N359 E360	K352-K356 VanDerWaalsContact O-CB 3.28Å; K352-K356 WeakPolarHBondContact O-CB 3.49Å; K352-K356 PolarHBondContact O-N 3.47Å; L354-K356 VanDerWaalsContact C-N 3.33Å; L354-K356 PolarHBondContact O-N 3.05Å; K356-H358 VanDerWaalsContact C-N 3.34Å; K356-H358 PolarHBondContact O-N 3.19Å; K356-N359 PolarHBondContact O-N 3.4Å; K356-N359 VanDerWaalsContact O-N 3.15Å; K356-E360 WeakPolarHBondContact CE-OE1 3.41Å; K356-E360 IonicContact NZ-OE1 3.26Å; K356-E360 PolarHBondContact NZ-OE1 3.2Å; K356-E360 WeakPolarHBondContact O-CG 3.41Å; K356-E360 PolarHBondContact O-N 2.92Å
357	R	94.4	Very high	94	Very high	54 Å²	54	56.5 Å²	56.5	20%	0.204	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-37.9	178.8	-177.1	61.9	58.3	71.2	1.8	112.8	D353 L354 E360 I364 D366 I367 D369 I370	D353-R357 PolarHBondContact O-N 3.3Å; L354-R357 PolarHBondContact O-N 2.97Å; R357-E360 IonicContact NE-OE2 2.71Å; R357-E360 PolarHBondContact NE-OE2 3.11Å; R357-E360 PolarHBondContact O-N 3.48Å; R357-I364 HydrophobicContact CG-CG2 3.91Å; R357-D366 PolarHBondContact NH1-O 2.87Å; R357-I367 HydrophobicContact CG-CG2 4.09Å; R357-D369 IonicContact CZ-OD1 3.47Å; R357-D369 IonicContact CZ-OD2 2.63Å; R357-D369 IonicContact NH1-OD1 3.46Å; R357-D369 PolarHBondContact NH1-OD1 3.1Å; R357-D369 IonicContact NH1-OD2 2.77Å; R357-D369 PolarHBondContact NH1-OD2 3.33Å; R357-D369 IonicContact NH2-OD1 2.74Å; R357-D369 IonicContact NH2-OD2 3.72Å; R357-D369 PolarHBondContact NH2-OD2 3.33Å; R357-I370 HydrophobicContact CB-CD1 3.8Å; R357-I370 HydrophobicContact CG-CD1 4.19Å
358	H	91.5	Very high	94	Very high	29 Å²	29	56.5 Å²	56.5	13%	0.134	27%	0.268	C	S	.	.	H	α-helix	trans	-64.3	-40.6	172.7	174.6	-84.9	0	0	0	112.3	F298 I301 L354 E355 K356 E360 Q361 I364	F298-H358 AromaticContact CE2-CD2 3.92Å; F298-H358 AromaticContact CE2-NE2 3.58Å; I301-H358 HydrophobicContact CD1-CB 4.1Å; L354-H358 PolarHBondContact O-N 3.21Å; E355-H358 PolarHBondContact O-N 3.12Å; K356-H358 VanDerWaalsContact C-N 3.34Å; K356-H358 PolarHBondContact O-N 3.19Å; H358-E360 VanDerWaalsContact C-N 3.31Å; H358-E360 PolarHBondContact O-N 3.14Å; H358-Q361 CarbonylContact O-C 3.56Å; H358-I364 HydrophobicContact CB-CD1 4.02Å
359	N	90.9	Very high	94	Very high	117 Å²	117	57.2 Å²	57.2	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-78	-15.4	-179.7	-63.1	-18.9	0	0	0	113.2	E355 K356	E355-N359 WeakPolarHBondContact O-CB 3.24Å; E355-N359 PolarHBondContact O-N 3.31Å; E355-N359 PolarHBondContact O-ND2 3.34Å; K356-N359 PolarHBondContact O-N 3.4Å; K356-N359 VanDerWaalsContact O-N 3.15Å
360	E	92.1	Very high	94	Very high	100 Å²	100	55.2 Å²	55.2	47%	0.467	26%	0.259	S	S	.	.	H	α-helix	trans	-74.7	-37.9	171.7	-77.1	166.7	172.7	0	0	112.6	K356 R357 H358	K356-E360 WeakPolarHBondContact CE-OE1 3.41Å; K356-E360 IonicContact NZ-OE1 3.26Å; K356-E360 PolarHBondContact NZ-OE1 3.2Å; K356-E360 WeakPolarHBondContact O-CG 3.41Å; K356-E360 PolarHBondContact O-N 2.92Å; R357-E360 IonicContact NE-OE2 2.71Å; R357-E360 PolarHBondContact NE-OE2 3.11Å; R357-E360 PolarHBondContact O-N 3.48Å; H358-E360 VanDerWaalsContact C-N 3.31Å; H358-E360 PolarHBondContact O-N 3.14Å
361	Q	87.1	Confident	93.9	Very high	107 Å²	107	55.2 Å²	55.2	50%	0.5	26%	0.259	S	S	.	.			trans	-150.6	128.2	-176.6	-63.6	-174.1	-31	0	0	112.6	H358 V363	H358-Q361 CarbonylContact O-C 3.56Å; Q361-V363 VanDerWaalsContact C-N 3.28Å; Q361-V363 PolarHBondContact O-N 3.38Å
362	L	85.6	Confident	93.9	Very high	64 Å²	64	57.7 Å²	57.7	34%	0.335	27%	0.271	S	S	.	.	S	Bend	trans	-59.7	-35.2	175.9	-67.5	178	0	0	0	113.2	W271 Q276 I282	W271-L362 WeakPolarHBondContact CZ2-O 3.47Å; W271-L362 PolarHBondContact NE1-O 3.39Å; Q276-L362 HydrophobicContact CB-CD2 3.97Å; I282-L362 HydrophobicContact CD1-CB 4.37Å; I282-L362 HydrophobicContact CD1-CD1 4.27Å
363	V	91.1	Very high	93.9	Very high	44 Å²	44	56 Å²	56	27%	0.267	27%	0.267	S	S	.	.	S	Bend	trans	-104.1	108	171.4	178.9	0	0	0	0	106.9	W271 I282 Q294 Q361 R365	W271-V363 HydrophobicContact CH2-CG2 4.2Å; W271-V363 HydrophobicContact CZ2-CG2 3.91Å; I282-V363 HydrophobicContact CD1-CG2 4.17Å; I282-V363 HydrophobicContact CG2-CG2 3.57Å; Q294-V363 HydrophobicContact CG-CG1 4.33Å; Q361-V363 VanDerWaalsContact C-N 3.28Å; Q361-V363 PolarHBondContact O-N 3.38Å; V363-R365 PolarHBondContact O-N 2.96Å
364	I	92.9	Very high	93.9	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	25%	0.25	C	S	.	.			trans	-81.4	118.1	-173	-61.1	170.9	0	0	0	109.3	R293 Q294 I297 I301 R357 H358 D366 I367	R293-I364 PolarHBondContact NH2-O 2.98Å; Q294-I364 PolarHBondContact NE2-O 3.32Å; I297-I364 HydrophobicContact CG2-CB 4.15Å; I297-I364 HydrophobicContact CG2-CD1 3.83Å; I297-I364 HydrophobicContact CG2-CG2 4.09Å; I301-I364 HydrophobicContact CD1-CD1 3.7Å; R357-I364 HydrophobicContact CG-CG2 3.91Å; H358-I364 HydrophobicContact CB-CD1 4.02Å; I364-D366 WeakPolarHBondContact CG2-O 3.2Å; I364-I367 HydrophobicContact CG2-CG2 3.77Å
365	R	90.9	Very high	93.9	Very high	147 Å²	147	53.2 Å²	53.2	56%	0.555	25%	0.253	S	S	*	.			trans	-62.4	-51.2	178.4	-161.1	-172.1	80.6	102.6	14.9	111.6	R293 V363 E455	R293-R365 PolarHBondContact NH1-O 2.82Å; R293-R365 PolarHBondContact NH2-O 2.9Å; V363-R365 PolarHBondContact O-N 2.96Å; R365-E455 IonicContact CZ-OE1 3.18Å; R365-E455 VanDerWaalsContact CZ-OE1 3.26Å; R365-E455 IonicContact NH1-OE1 3.08Å; R365-E455 PolarHBondContact NH1-OE1 3.39Å; R365-E455 IonicContact NH2-OE1 3.72Å
366	D	91.6	Very high	93.9	Very high	14 Å²	14	51.9 Å²	51.9	8%	0.075	26%	0.256	C	S	.	.			trans	-158.1	159.1	178	-172.5	25.3	0	0	0	111.3	R357 I364 S368	R357-D366 PolarHBondContact NH1-O 2.87Å; I364-D366 WeakPolarHBondContact CG2-O 3.2Å; D366-S368 VanDerWaalsContact CG-N 3.32Å; D366-S368 VanDerWaalsContact OD1-CB 3.24Å; D366-S368 WeakPolarHBondContact OD1-CB 3.48Å; D366-S368 PolarHBondContact OD1-N 2.99Å; D366-S368 PolarHBondContact OD1-OG 3.18Å; D366-S368 WeakPolarHBondContact OD2-CB 3.31Å; D366-S368 PolarHBondContact OD2-N 3Å
367	I	96.3	Very high	93.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.			trans	-129.7	-2.9	168.7	57.8	164.2	0	0	0	112.8	I297 I300 L354 R357 I364 D369 I370 V371 I445	I297-I367 HydrophobicContact CG2-CD1 4.05Å; I297-I367 HydrophobicContact CG2-CG1 4.26Å; I297-I367 HydrophobicContact CG2-CG2 3.99Å; I300-I367 HydrophobicContact CB-CD1 4.1Å; I300-I367 HydrophobicContact CD1-CD1 4.06Å; I300-I367 HydrophobicContact CG2-CD1 4.03Å; L354-I367 HydrophobicContact CD2-CB 3.95Å; L354-I367 HydrophobicContact CD2-CD1 4.1Å; L354-I367 HydrophobicContact CD2-CG2 4.01Å; R357-I367 HydrophobicContact CG-CG2 4.09Å; I364-I367 HydrophobicContact CG2-CG2 3.77Å; I367-D369 VanDerWaalsContact C-OD1 3.32Å; I367-D369 PolarHBondContact O-N 2.84Å; I367-I370 WeakPolarHBondContact O-CB 3.49Å; I367-I370 PolarHBondContact O-N 3.45Å; I367-I370 VanDerWaalsContact O-N 3.07Å; I367-V371 HydrophobicContact CD1-CG2 4.48Å; I367-V371 WeakPolarHBondContact O-CG2 3.25Å; I367-V371 PolarHBondContact O-N 3Å; I367-V371 VanDerWaalsContact O-N 3.13Å; I367-I445 HydrophobicContact CD1-CD1 4.21Å
368	S	96.9	Very high	94	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.5	-30.8	-171.9	-51.7	0	0	0	0	112.3	D366 V371 Q372 A458 A459	D366-S368 VanDerWaalsContact CG-N 3.32Å; D366-S368 VanDerWaalsContact OD1-CB 3.24Å; D366-S368 WeakPolarHBondContact OD1-CB 3.48Å; D366-S368 PolarHBondContact OD1-N 2.99Å; D366-S368 PolarHBondContact OD1-OG 3.18Å; D366-S368 WeakPolarHBondContact OD2-CB 3.31Å; D366-S368 PolarHBondContact OD2-N 3Å; S368-V371 PolarHBondContact O-N 3.06Å; S368-Q372 VanDerWaalsContact O-CB 3.22Å; S368-Q372 WeakPolarHBondContact O-CB 3.34Å; S368-Q372 PolarHBondContact O-N 3.48Å; S368-A458 VanDerWaalsContact CB-C 3.48Å; S368-A458 WeakPolarHBondContact CB-O 3.44Å; S368-A459 VanDerWaalsContact OG-CA 3.31Å; S368-A459 WeakPolarHBondContact OG-CA 3.45Å; S368-A459 PolarHBondContact OG-N 3.31Å
369	D	96.4	Very high	94.3	Very high	71 Å²	71	52 Å²	52	38%	0.38	26%	0.261	S	S	.	.	H	α-helix	trans	-56.4	-47.4	170.1	65.6	-42.8	0	0	0	112.6	R357 I367 N373	R357-D369 IonicContact CZ-OD1 3.47Å; R357-D369 IonicContact CZ-OD2 2.63Å; R357-D369 IonicContact NH1-OD1 3.46Å; R357-D369 PolarHBondContact NH1-OD1 3.1Å; R357-D369 IonicContact NH1-OD2 2.77Å; R357-D369 PolarHBondContact NH1-OD2 3.33Å; R357-D369 IonicContact NH2-OD1 2.74Å; R357-D369 IonicContact NH2-OD2 3.72Å; R357-D369 PolarHBondContact NH2-OD2 3.33Å; I367-D369 VanDerWaalsContact C-OD1 3.32Å; I367-D369 PolarHBondContact O-N 2.84Å; D369-N373 WeakPolarHBondContact O-CB 3.5Å; D369-N373 PolarHBondContact O-N 2.99Å
370	I	97.8	Very high	94.6	Very high	14 Å²	14	51.2 Å²	51.2	7%	0.072	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-49.4	178.3	-60.5	164.8	0	0	0	109.4	F350 D353 L354 R357 I367 Q372 N373 H374	F350-I370 HydrophobicContact CD2-CG2 4.06Å; F350-I370 HydrophobicContact CE2-CG2 4.12Å; D353-I370 HydrophobicContact CB-CD1 4.48Å; D353-I370 HydrophobicContact CB-CG2 3.7Å; L354-I370 HydrophobicContact CD2-CD1 4.29Å; L354-I370 HydrophobicContact CD2-CG2 4.24Å; L354-I370 HydrophobicContact CG-CG2 4.44Å; R357-I370 HydrophobicContact CB-CD1 3.8Å; R357-I370 HydrophobicContact CG-CD1 4.19Å; I367-I370 WeakPolarHBondContact O-CB 3.49Å; I367-I370 PolarHBondContact O-N 3.45Å; I367-I370 VanDerWaalsContact O-N 3.07Å; I370-Q372 PolarHBondContact O-N 2.9Å; I370-N373 PolarHBondContact O-N 2.8Å; I370-H374 PolarHBondContact O-CD2 3.3Å; I370-H374 VanDerWaalsContact O-CD2 3.3Å; I370-H374 PolarHBondContact O-N 2.7Å
371	V	97.7	Very high	94.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-40.9	-176.8	-173.1	0	0	0	0	111.4	F350 I367 S368 A375 L442 A462 M466	F350-V371 HydrophobicContact CE2-CB 4.4Å; F350-V371 HydrophobicContact CE2-CG2 3.88Å; F350-V371 HydrophobicContact CZ-CG2 3.99Å; I367-V371 HydrophobicContact CD1-CG2 4.48Å; I367-V371 WeakPolarHBondContact O-CG2 3.25Å; I367-V371 PolarHBondContact O-N 3Å; I367-V371 VanDerWaalsContact O-N 3.13Å; S368-V371 PolarHBondContact O-N 3.06Å; V371-A375 WeakPolarHBondContact O-CB 3.47Å; V371-A375 PolarHBondContact O-N 3.16Å; V371-L442 HydrophobicContact CB-CD2 4.44Å; V371-L442 HydrophobicContact CG1-CD1 3.89Å; V371-L442 HydrophobicContact CG1-CD2 4.22Å; V371-L442 HydrophobicContact CG2-CD2 4.38Å; V371-A462 HydrophobicContact CB-CB 4.31Å; V371-M466 HydrophobicContact CG1-CG 3.92Å; V371-M466 HydrophobicContact CG1-SD 4.31Å
372	Q	96.9	Very high	95.3	Very high	73 Å²	73	42.5 Å²	42.5	34%	0.341	22%	0.218	S	C	.	.	H	α-helix	trans	-64.4	-45.2	176.7	-171.3	-177.8	16.1	0	0	111.9	S368 I370 A375 A376 A462 A465	S368-Q372 VanDerWaalsContact O-CB 3.22Å; S368-Q372 WeakPolarHBondContact O-CB 3.34Å; S368-Q372 PolarHBondContact O-N 3.48Å; I370-Q372 PolarHBondContact O-N 2.9Å; Q372-A375 PolarHBondContact O-N 3.08Å; Q372-A376 VanDerWaalsContact O-CB 3.3Å; Q372-A376 WeakPolarHBondContact O-CB 3.49Å; Q372-A376 PolarHBondContact O-N 3.46Å; Q372-A462 HydrophobicContact CB-CB 4.26Å; Q372-A465 HydrophobicContact CG-CB 4.29Å
373	N	97.4	Very high	95.8	Very high	67 Å²	67	40.9 Å²	40.9	36%	0.358	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-48.5	177.2	174.6	77.2	0	0	0	111.7	D369 I370 A376 H377 H378	D369-N373 WeakPolarHBondContact O-CB 3.5Å; D369-N373 PolarHBondContact O-N 2.99Å; I370-N373 PolarHBondContact O-N 2.8Å; N373-A376 PolarHBondContact O-N 3.31Å; N373-H377 WeakPolarHBondContact O-CB 3.37Å; N373-H377 PolarHBondContact O-N 3.4Å; N373-H378 PolarHBondContact ND2-NE2 3.08Å
374	H	98.1	Very high	96	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.009	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-42.4	179.7	-85.6	-86.9	0	0	0	112.4	F350 D353 I370 A376 H378 F379	F350-H374 VanDerWaalsContact CA-CE1 3.48Å; F350-H374 WeakPolarHBondContact CA-CE1 3.41Å; F350-H374 HydrophobicContact CD2-CB 3.95Å; F350-H374 AromaticContact CD2-CD2 3.79Å; F350-H374 AromaticContact CD2-CG 3.72Å; F350-H374 PolarHBondContact N-CE1 2.92Å; D353-H374 IonicContact OD2-CD2 2.74Å; D353-H374 IonicContact OD2-CE1 3.84Å; D353-H374 IonicContact OD2-NE2 2.84Å; D353-H374 PolarHBondContact OD2-NE2 3.04Å; I370-H374 PolarHBondContact O-CD2 3.3Å; I370-H374 VanDerWaalsContact O-CD2 3.3Å; I370-H374 PolarHBondContact O-N 2.7Å; H374-A376 VanDerWaalsContact C-N 3.35Å; H374-A376 PolarHBondContact O-N 3.14Å; H374-H378 AromaticContact CE1-CD2 3.63Å; H374-H378 AromaticContact CG-CD2 3.92Å; H374-H378 AromaticContact ND1-CD2 3.46Å; H374-H378 PolarHBondContact ND1-CD2 2.82Å; H374-H378 AromaticContact ND1-CG 3.98Å; H374-H378 CarbonylContact O-C 3.55Å; H374-H378 WeakPolarHBondContact O-CA 3.5Å; H374-H378 PolarHBondContact O-N 2.67Å; H374-F379 HydrophobicContact CB-CD1 4.13Å; H374-F379 HydrophobicContact CB-CE1 3.67Å; H374-F379 HydrophobicContact CB-CE2 4.31Å; H374-F379 HydrophobicContact CB-CZ 3.77Å; H374-F379 WeakPolarHBondContact O-CD1 3.48Å; H374-F379 WeakPolarHBondContact O-CG 3.46Å; H374-F379 PolarHBondContact O-N 3.5Å
375	A	96.4	Very high	96.1	Very high	8 Å²	8	42.5 Å²	42.5	7%	0.066	22%	0.219	C	C	.	.	H	α-helix	trans	-59.1	-42.8	174.7	0	0	0	0	0	112.7	V371 Q372 F379 A465 M466	V371-A375 WeakPolarHBondContact O-CB 3.47Å; V371-A375 PolarHBondContact O-N 3.16Å; Q372-A375 PolarHBondContact O-N 3.08Å; A375-F379 HydrophobicContact CB-CD2 4.4Å; A375-A465 HydrophobicContact CB-CB 3.87Å; A375-M466 HydrophobicContact CB-CG 4.27Å; A375-M466 HydrophobicContact CB-SD 3.64Å
376	A	94.6	Very high	96.2	Very high	55 Å²	55	35.6 Å²	35.6	46%	0.455	19%	0.192	S	C	.	.	H	α-helix	trans	-82.3	-22.8	-174.5	0	0	0	0	0	114.8	Q372 N373 H374	Q372-A376 VanDerWaalsContact O-CB 3.3Å; Q372-A376 WeakPolarHBondContact O-CB 3.49Å; Q372-A376 PolarHBondContact O-N 3.46Å; N373-A376 PolarHBondContact O-N 3.31Å; H374-A376 VanDerWaalsContact C-N 3.35Å; H374-A376 PolarHBondContact O-N 3.14Å
377	H	95.4	Very high	96.2	Very high	126 Å²	126	35.5 Å²	35.5	58%	0.583	19%	0.193	S	C	*	.	H	α-helix	trans	-132.4	-14.5	-168.2	-60.9	-26.5	0	0	0	115.5	N373	N373-H377 WeakPolarHBondContact O-CB 3.37Å; N373-H377 PolarHBondContact O-N 3.4Å
378	H	96.6	Very high	96	Very high	81 Å²	81	36.2 Å²	36.2	38%	0.375	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-17.1	-170.8	-57.4	-29.7	0	0	0	114.1	T346 N373 H374 P381	T346-H378 VanDerWaalsContact CG2-O 3.22Å; T346-H378 WeakPolarHBondContact CG2-O 3.38Å; T346-H378 PolarHBondContact OG1-O 3.02Å; N373-H378 PolarHBondContact ND2-NE2 3.08Å; H374-H378 AromaticContact CE1-CD2 3.63Å; H374-H378 AromaticContact CG-CD2 3.92Å; H374-H378 AromaticContact ND1-CD2 3.46Å; H374-H378 PolarHBondContact ND1-CD2 2.82Å; H374-H378 AromaticContact ND1-CG 3.98Å; H374-H378 CarbonylContact O-C 3.55Å; H374-H378 WeakPolarHBondContact O-CA 3.5Å; H374-H378 PolarHBondContact O-N 2.67Å; H378-P381 WeakPolarHBondContact O-CD 3.5Å
379	F	97.8	Very high	95.6	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	20%	0.203	C	C	.	.			trans	-92.6	-1.2	-175.1	-72.3	2.4	0	0	0	115.6	T346 F350 H374 A375 P381 Y382 L438 M466 L469	T346-F379 HydrophobicContact CG2-CD1 3.4Å; T346-F379 VanDerWaalsContact CG2-CD1 3.4Å; T346-F379 HydrophobicContact CG2-CE1 3.66Å; F350-F379 HydrophobicContact CB-CE1 4.12Å; F350-F379 HydrophobicContact CB-CZ 4.21Å; F350-F379 HydrophobicContact CD1-CE1 4.49Å; F350-F379 AromaticContact CD1-CZ 3.81Å; F350-F379 HydrophobicContact CD1-CZ 3.81Å; F350-F379 HydrophobicContact CD2-CZ 4.16Å; F350-F379 HydrophobicContact CE1-CZ 4.17Å; F350-F379 HydrophobicContact CE2-CZ 4.5Å; F350-F379 HydrophobicContact CG-CE1 4.22Å; F350-F379 AromaticContact CG-CZ 3.81Å; F350-F379 HydrophobicContact CG-CZ 3.81Å; F350-F379 HydrophobicContact CZ-CZ 4.49Å; H374-F379 HydrophobicContact CB-CD1 4.13Å; H374-F379 HydrophobicContact CB-CE1 3.67Å; H374-F379 HydrophobicContact CB-CE2 4.31Å; H374-F379 HydrophobicContact CB-CZ 3.77Å; H374-F379 WeakPolarHBondContact O-CD1 3.48Å; H374-F379 WeakPolarHBondContact O-CG 3.46Å; H374-F379 PolarHBondContact O-N 3.5Å; A375-F379 HydrophobicContact CB-CD2 4.4Å; F379-P381 WeakPolarHBondContact O-CD 3.19Å; F379-Y382 HydrophobicContact CB-CD2 3.99Å; F379-Y382 HydrophobicContact CB-CE2 4.48Å; F379-Y382 HydrophobicContact CD1-CD2 4.38Å; F379-Y382 HydrophobicContact CD1-CE2 4.04Å; F379-Y382 HydrophobicContact CE1-CE2 4.38Å; F379-Y382 HydrophobicContact CG-CD2 4.14Å; F379-Y382 HydrophobicContact CG-CE2 4.14Å; F379-Y382 WeakPolarHBondContact O-CB 3.17Å; F379-Y382 WeakPolarHBondContact O-CD2 3.39Å; F379-Y382 PolarHBondContact O-N 3.28Å; F379-L438 HydrophobicContact CE2-CD1 4.15Å; F379-M466 HydrophobicContact CD2-CE 4.28Å; F379-M466 HydrophobicContact CD2-SD 3.82Å; F379-M466 HydrophobicContact CE2-CE 4.35Å; F379-M466 HydrophobicContact CE2-SD 3.78Å; F379-L469 HydrophobicContact CB-CD1 4.2Å; F379-L469 HydrophobicContact CB-CD2 3.46Å; F379-L469 VanDerWaalsContact CB-CD2 3.46Å; F379-L469 HydrophobicContact CB-CG 4.49Å; F379-L469 HydrophobicContact CD2-CD2 3.62Å; F379-L469 HydrophobicContact CG-CD2 4.03Å
380	D	96.4	Very high	95.1	Very high	100 Å²	100	36.6 Å²	36.6	54%	0.535	20%	0.2	S	C	.	.	H	α-helix	trans	-39.3	-38.9	166.9	-68.6	12.1	0	0	0	115.2	Y382 I383	D380-Y382 PolarHBondContact O-N 3.05Å; D380-I383 WeakPolarHBondContact O-CB 3.24Å; D380-I383 PolarHBondContact O-N 3.26Å; D380-I383 VanDerWaalsContact O-N 3.12Å
381	P	97.4	Very high	94.5	Very high	23 Å²	23	37.2 Å²	37.2	15%	0.149	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-27	179.2	-25.4	37.8	0	0	0	113.9	N339 V342 I343 H378 F379 I383 V384 Y385	N339-P381 PolarHBondContact ND2-O 3.26Å; V342-P381 HydrophobicContact CB-CB 4.35Å; V342-P381 HydrophobicContact CG1-CB 3.85Å; V342-P381 HydrophobicContact CG1-CG 3.66Å; I343-P381 VanDerWaalsContact CD1-C 3.5Å; I343-P381 HydrophobicContact CD1-CB 3.96Å; I343-P381 WeakPolarHBondContact CD1-O 3.28Å; H378-P381 WeakPolarHBondContact O-CD 3.5Å; F379-P381 WeakPolarHBondContact O-CD 3.19Å; P381-I383 VanDerWaalsContact C-N 3.34Å; P381-V384 PolarHBondContact O-N 3.07Å; P381-Y385 PolarHBondContact O-N 2.91Å
382	Y	97.1	Very high	94.3	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-41.2	175.2	-76.4	-93.4	0	0	0	111.3	Y307 I343 T346 S347 F379 D380 V384 Y385 C386 P431 V435	Y307-Y382 WeakPolarHBondContact OH-CE1 3.29Å; Y307-Y382 PolarHBondContact OH-OH 2.93Å; I343-Y382 HydrophobicContact CD1-CD1 4.01Å; I343-Y382 HydrophobicContact CD1-CD2 3.98Å; I343-Y382 HydrophobicContact CD1-CE1 4.31Å; I343-Y382 HydrophobicContact CD1-CE2 4.29Å; I343-Y382 HydrophobicContact CD1-CG 3.83Å; I343-Y382 HydrophobicContact CG2-CE1 4.03Å; I343-Y382 HydrophobicContact CG2-CE2 4.44Å; T346-Y382 HydrophobicContact CG2-CE2 4.21Å; S347-Y382 PolarHBondContact OG-OH 2.96Å; F379-Y382 HydrophobicContact CB-CD2 3.99Å; F379-Y382 HydrophobicContact CB-CE2 4.48Å; F379-Y382 HydrophobicContact CD1-CD2 4.38Å; F379-Y382 HydrophobicContact CD1-CE2 4.04Å; F379-Y382 HydrophobicContact CE1-CE2 4.38Å; F379-Y382 HydrophobicContact CG-CD2 4.14Å; F379-Y382 HydrophobicContact CG-CE2 4.14Å; F379-Y382 WeakPolarHBondContact O-CB 3.17Å; F379-Y382 WeakPolarHBondContact O-CD2 3.39Å; F379-Y382 PolarHBondContact O-N 3.28Å; D380-Y382 PolarHBondContact O-N 3.05Å; Y382-V384 VanDerWaalsContact C-N 3.28Å; Y382-V384 PolarHBondContact O-N 3.42Å; Y382-Y385 PolarHBondContact O-N 2.69Å; Y382-Y385 VanDerWaalsContact O-N 3.1Å; Y382-C386 WeakPolarHBondContact O-CB 3.29Å; Y382-C386 PolarHBondContact O-N 3.27Å; Y382-C386 PolarHBondContact O-SG 2.95Å; Y382-C386 VanDerWaalsContact O-SG 3.33Å; Y382-P431 HydrophobicContact CD1-CB 4.06Å; Y382-P431 WeakPolarHBondContact CD1-O 3.43Å; Y382-P431 HydrophobicContact CE1-CB 3.96Å; Y382-V435 HydrophobicContact CD1-CB 4.02Å; Y382-V435 HydrophobicContact CE1-CB 4.49Å
383	I	95.4	Very high	93.9	Very high	30 Å²	30	35.3 Å²	35.3	15%	0.154	19%	0.193	C	C	.	.	H	α-helix	trans	-56.8	-45.7	176.8	-55.1	167.5	0	0	0	110	D380 P381 S387 L469 E472 C473	D380-I383 WeakPolarHBondContact O-CB 3.24Å; D380-I383 PolarHBondContact O-N 3.26Å; D380-I383 VanDerWaalsContact O-N 3.12Å; P381-I383 VanDerWaalsContact C-N 3.34Å; I383-S387 VanDerWaalsContact O-CB 3.25Å; I383-S387 WeakPolarHBondContact O-CB 3.44Å; I383-S387 PolarHBondContact O-N 3.23Å; I383-S387 PolarHBondContact O-OG 2.76Å; I383-L469 HydrophobicContact CD1-CD1 4Å; I383-L469 HydrophobicContact CG1-CD1 3.77Å; I383-E472 HydrophobicContact CD1-CB 3.84Å; I383-E472 WeakPolarHBondContact CD1-OE2 3.43Å; I383-E472 HydrophobicContact CG1-CB 4.16Å; I383-C473 VanDerWaalsContact CA-SG 3.59Å
384	V	94.8	Very high	93.6	Very high	75 Å²	75	37.5 Å²	37.5	46%	0.455	20%	0.197	S	C	.	.	H	α-helix	trans	-66.2	-39.2	178.4	-179.1	0	0	0	0	111.9	P381 Y382 N388	P381-V384 PolarHBondContact O-N 3.07Å; Y382-V384 VanDerWaalsContact C-N 3.28Å; Y382-V384 PolarHBondContact O-N 3.42Å; V384-N388 PolarHBondContact O-N 2.68Å; V384-N388 PolarHBondContact O-ND2 3.35Å
385	Y	96	Very high	93.4	Very high	4 Å²	4	38 Å²	38	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-50.6	179.1	-171.4	-89.5	0	0	0	111.7	N339 I340 I343 P381 Y382 S387 N388 E389 Q392 L428 P431	N339-Y385 VanDerWaalsContact OD1-CA 3.29Å; N339-Y385 WeakPolarHBondContact OD1-CA 3.41Å; N339-Y385 WeakPolarHBondContact OD1-CB 3.2Å; N339-Y385 PolarHBondContact OD1-N 3.15Å; I340-Y385 HydrophobicContact CB-CD2 4.4Å; I340-Y385 HydrophobicContact CB-CE2 3.9Å; I340-Y385 HydrophobicContact CD1-CD2 4.28Å; I340-Y385 HydrophobicContact CD1-CE2 3.71Å; I340-Y385 HydrophobicContact CG1-CE2 4.32Å; I343-Y385 HydrophobicContact CG1-CD2 4.34Å; I343-Y385 HydrophobicContact CG1-CG 4.36Å; P381-Y385 PolarHBondContact O-N 2.91Å; Y382-Y385 PolarHBondContact O-N 2.69Å; Y382-Y385 VanDerWaalsContact O-N 3.1Å; Y385-S387 VanDerWaalsContact C-N 3.33Å; Y385-S387 PolarHBondContact O-N 3.24Å; Y385-N388 PolarHBondContact O-N 2.69Å; Y385-N388 VanDerWaalsContact O-N 3.08Å; Y385-E389 PolarHBondContact O-N 3.06Å; Y385-Q392 VanDerWaalsContact CZ-OE1 3.28Å; Y385-Q392 PolarHBondContact O-NE2 3.29Å; Y385-Q392 PolarHBondContact OH-OE1 3.49Å; Y385-Q392 VanDerWaalsContact OH-OE1 3.11Å; Y385-L428 WeakPolarHBondContact CE1-O 3.41Å; Y385-L428 PolarHBondContact OH-O 3.44Å; Y385-P431 HydrophobicContact CD1-CB 3.68Å; Y385-P431 HydrophobicContact CD1-CG 3.85Å; Y385-P431 HydrophobicContact CE1-CB 3.85Å; Y385-P431 HydrophobicContact CE1-CG 3.55Å; Y385-P431 HydrophobicContact CG-CB 4.34Å; Y385-P431 HydrophobicContact CG-CG 4.43Å
386	C	93.8	Very high	93.3	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-37.7	177.9	-66.7	0	0	0	0	112	Y382 N388 E389 M432 C473	Y382-C386 WeakPolarHBondContact O-CB 3.29Å; Y382-C386 PolarHBondContact O-N 3.27Å; Y382-C386 PolarHBondContact O-SG 2.95Å; Y382-C386 VanDerWaalsContact O-SG 3.33Å; C386-N388 PolarHBondContact O-N 2.69Å; C386-E389 VanDerWaalsContact O-CB 3.29Å; C386-E389 WeakPolarHBondContact O-CB 3.37Å; C386-E389 PolarHBondContact O-N 3.38Å; C386-M432 HydrophobicContact CB-CE 3.66Å; C386-M432 HydrophobicContact CB-SD 4.46Å; C386-C473 HydrophobicContact CB-CB 3.93Å
387	S	91.5	Very high	93.3	Very high	12 Å²	12	39.3 Å²	39.3	8%	0.084	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-28.4	173.6	-60.7	0	0	0	0	113.3	I383 Y385 G476 M480	I383-S387 VanDerWaalsContact O-CB 3.25Å; I383-S387 WeakPolarHBondContact O-CB 3.44Å; I383-S387 PolarHBondContact O-N 3.23Å; I383-S387 PolarHBondContact O-OG 2.76Å; Y385-S387 VanDerWaalsContact C-N 3.33Å; Y385-S387 PolarHBondContact O-N 3.24Å; S387-G476 WeakPolarHBondContact OG-CA 3.46Å; S387-G476 PolarHBondContact OG-O 2.82Å; S387-M480 WeakPolarHBondContact O-CB 3.42Å; S387-M480 WeakPolarHBondContact O-CG 3.23Å
388	N	91.7	Very high	93.3	Very high	15 Å²	15	38.7 Å²	38.7	8%	0.08	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.8	-177.6	-72.8	-21.6	0	0	0	113.5	S338 V384 Y385 C386 T390 F391 Q392	S338-N388 PolarHBondContact OG-ND2 2.97Å; V384-N388 PolarHBondContact O-N 2.68Å; V384-N388 PolarHBondContact O-ND2 3.35Å; Y385-N388 PolarHBondContact O-N 2.69Å; Y385-N388 VanDerWaalsContact O-N 3.08Å; C386-N388 PolarHBondContact O-N 2.69Å; N388-T390 VanDerWaalsContact C-N 3.3Å; N388-T390 PolarHBondContact O-N 3Å; N388-F391 WeakPolarHBondContact O-CA 3.45Å; N388-F391 WeakPolarHBondContact O-CB 3.11Å; N388-F391 PolarHBondContact O-N 2.99Å; N388-Q392 WeakPolarHBondContact O-CG 3.32Å; N388-Q392 PolarHBondContact O-N 2.9Å
389	E	88.2	Confident	93.2	Very high	28 Å²	28	35 Å²	35	13%	0.131	17%	0.174	C	C	.	.	H	α-helix	trans	-53.2	-44.6	-174.2	-171	-163	94.1	0	0	112.7	Y227 Y385 C386 F391 Q392 Q393 M432	Y227-E389 HydrophobicContact CD1-CG 3.96Å; Y227-E389 WeakPolarHBondContact CD1-OE1 3.15Å; Y227-E389 VanDerWaalsContact CE1-CD 3.46Å; Y227-E389 HydrophobicContact CE1-CG 3.66Å; Y385-E389 PolarHBondContact O-N 3.06Å; C386-E389 VanDerWaalsContact O-CB 3.29Å; C386-E389 WeakPolarHBondContact O-CB 3.37Å; C386-E389 PolarHBondContact O-N 3.38Å; E389-F391 VanDerWaalsContact C-N 3.27Å; E389-F391 PolarHBondContact O-N 2.72Å; E389-Q392 WeakPolarHBondContact O-CB 3.19Å; E389-Q392 PolarHBondContact O-N 3.14Å; E389-Q392 VanDerWaalsContact O-N 3.08Å; E389-Q393 WeakPolarHBondContact O-CG 3.42Å; E389-Q393 PolarHBondContact O-N 2.88Å; E389-Q393 PolarHBondContact OE1-NE2 2.92Å; E389-M432 WeakPolarHBondContact OE2-CE 3.15Å
390	T	85.3	Confident	93	Very high	52 Å²	52	37 Å²	37	32%	0.319	18%	0.184	S	C	.	.	H	α-helix	trans	-62.4	-33.5	178.5	-39.1	0	0	0	0	112.4	N388 R394	N388-T390 VanDerWaalsContact C-N 3.3Å; N388-T390 PolarHBondContact O-N 3Å; T390-R394 WeakPolarHBondContact O-CB 3.25Å; T390-R394 VanDerWaalsContact O-CG 3.26Å; T390-R394 WeakPolarHBondContact O-CG 3.5Å; T390-R394 PolarHBondContact O-N 3.36Å; T390-R394 VanDerWaalsContact O-N 3.09Å
391	F	86.4	Confident	92.9	Very high	27 Å²	27	37.8 Å²	37.8	12%	0.118	19%	0.188	C	C	.	.	H	α-helix	trans	-73	-37	173.2	-67.5	-65	0	0	0	112.3	Y164 H335 N388 E389 T395 M480 E484	Y164-F391 WeakPolarHBondContact OH-CE2 3.34Å; Y164-F391 VanDerWaalsContact OH-CZ 3.24Å; Y164-F391 WeakPolarHBondContact OH-CZ 3.22Å; H335-F391 HydrophobicContact CB-CB 4.47Å; N388-F391 WeakPolarHBondContact O-CA 3.45Å; N388-F391 WeakPolarHBondContact O-CB 3.11Å; N388-F391 PolarHBondContact O-N 2.99Å; E389-F391 VanDerWaalsContact C-N 3.27Å; E389-F391 PolarHBondContact O-N 2.72Å; F391-T395 WeakPolarHBondContact O-CB 3.35Å; F391-T395 PolarHBondContact O-N 2.74Å; F391-T395 PolarHBondContact O-OG1 3.24Å; F391-M480 HydrophobicContact CD2-CG 4.38Å; F391-M480 HydrophobicContact CE2-CG 3.61Å; F391-M480 HydrophobicContact CE2-SD 3.9Å; F391-E484 VanDerWaalsContact CE1-OE1 3.29Å; F391-E484 WeakPolarHBondContact CE1-OE1 3.18Å; F391-E484 HydrophobicContact CZ-CB 4.34Å; F391-E484 HydrophobicContact CZ-CG 4.44Å
392	Q	92.8	Very high	92.8	Very high	3 Å²	3	42.8 Å²	42.8	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-52	174.6	-59.5	166.1	26.1	0	0	110.1	H335 Y385 N388 E389 T395 L396	H335-Q392 WeakPolarHBondContact O-CA 3.44Å; H335-Q392 WeakPolarHBondContact O-CG 3.24Å; H335-Q392 PolarHBondContact O-N 3.49Å; Y385-Q392 VanDerWaalsContact CZ-OE1 3.28Å; Y385-Q392 PolarHBondContact O-NE2 3.29Å; Y385-Q392 PolarHBondContact OH-OE1 3.49Å; Y385-Q392 VanDerWaalsContact OH-OE1 3.11Å; N388-Q392 WeakPolarHBondContact O-CG 3.32Å; N388-Q392 PolarHBondContact O-N 2.9Å; E389-Q392 WeakPolarHBondContact O-CB 3.19Å; E389-Q392 PolarHBondContact O-N 3.14Å; E389-Q392 VanDerWaalsContact O-N 3.08Å; Q392-T395 PolarHBondContact O-N 3.38Å; Q392-L396 WeakPolarHBondContact O-CB 3.49Å; Q392-L396 PolarHBondContact O-N 3.48Å
393	Q	89.6	Confident	92.7	Very high	29 Å²	29	44.7 Å²	44.7	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-57.4	-54.1	178.2	-67.8	173.3	26.2	0	0	112.2	Y227 E389 T395 L396 Q397	Y227-Q393 HydrophobicContact CD2-CG 4.22Å; Y227-Q393 HydrophobicContact CE1-CG 4.49Å; Y227-Q393 HydrophobicContact CE2-CG 3.89Å; E389-Q393 WeakPolarHBondContact O-CG 3.42Å; E389-Q393 PolarHBondContact O-N 2.88Å; E389-Q393 PolarHBondContact OE1-NE2 2.92Å; Q393-T395 VanDerWaalsContact C-N 3.33Å; Q393-T395 PolarHBondContact O-N 3.21Å; Q393-L396 PolarHBondContact O-N 2.62Å; Q393-Q397 WeakPolarHBondContact O-CG 3.3Å; Q393-Q397 PolarHBondContact O-N 3.4Å
394	R	89.9	Confident	92.7	Very high	114 Å²	114	47.3 Å²	47.3	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-65	-36.3	-178.1	-68.3	-178	-158.8	161.4	9.4	112.1	T390 K398 E484	T390-R394 WeakPolarHBondContact O-CB 3.25Å; T390-R394 VanDerWaalsContact O-CG 3.26Å; T390-R394 WeakPolarHBondContact O-CG 3.5Å; T390-R394 PolarHBondContact O-N 3.36Å; T390-R394 VanDerWaalsContact O-N 3.09Å; R394-K398 VanDerWaalsContact O-CB 3.25Å; R394-K398 WeakPolarHBondContact O-CB 3.49Å; R394-K398 PolarHBondContact O-N 3.09Å; R394-E484 IonicContact CZ-OE1 3.11Å; R394-E484 IonicContact CZ-OE2 3.62Å; R394-E484 VanDerWaalsContact CZ-OE2 3.26Å; R394-E484 IonicContact NH1-OE1 2.72Å; R394-E484 PolarHBondContact NH1-OE1 3.19Å; R394-E484 IonicContact NH1-OE2 2.71Å; R394-E484 PolarHBondContact NH1-OE2 3.42Å; R394-E484 IonicContact NH2-OE2 2.99Å; R394-E484 PolarHBondContact NH2-OE2 2.8Å
395	T	93.8	Very high	92.8	Very high	12 Å²	12	46.3 Å²	46.3	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-66.6	-45.2	175.8	-59.5	0	0	0	0	110.9	E332 H335 L336 F391 Q392 Q393 K398 L399	E332-T395 HydrophobicContact CB-CG2 3.85Å; E332-T395 HydrophobicContact CG-CG2 4.04Å; H335-T395 HydrophobicContact CB-CG2 4.28Å; H335-T395 WeakPolarHBondContact CB-OG1 3.12Å; L336-T395 HydrophobicContact CB-CG2 4.33Å; F391-T395 WeakPolarHBondContact O-CB 3.35Å; F391-T395 PolarHBondContact O-N 2.74Å; F391-T395 PolarHBondContact O-OG1 3.24Å; Q392-T395 PolarHBondContact O-N 3.38Å; Q393-T395 VanDerWaalsContact C-N 3.33Å; Q393-T395 PolarHBondContact O-N 3.21Å; T395-K398 WeakPolarHBondContact O-CB 3.49Å; T395-K398 PolarHBondContact O-N 2.92Å; T395-L399 HydrophobicContact CG2-CD1 4.03Å; T395-L399 VanDerWaalsContact O-CG 3.32Å; T395-L399 WeakPolarHBondContact O-CG 3.35Å; T395-L399 PolarHBondContact O-N 3.48Å
396	L	94.9	Very high	92.9	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-48.4	175.8	-179.8	56.3	0	0	0	111.7	L336 Q392 Q393 K398 L399 L400 F406 M424 L425 L428	L336-L396 HydrophobicContact CD1-CB 3.87Å; L336-L396 HydrophobicContact CD1-CD1 4.36Å; Q392-L396 WeakPolarHBondContact O-CB 3.49Å; Q392-L396 PolarHBondContact O-N 3.48Å; Q393-L396 PolarHBondContact O-N 2.62Å; L396-K398 PolarHBondContact O-N 3.3Å; L396-L399 PolarHBondContact O-N 2.87Å; L396-L400 HydrophobicContact CD1-CD1 3.93Å; L396-L400 HydrophobicContact CD1-CG 3.96Å; L396-L400 HydrophobicContact CG-CD1 3.84Å; L396-L400 HydrophobicContact CG-CG 4.31Å; L396-L400 WeakPolarHBondContact O-CB 3.37Å; L396-L400 WeakPolarHBondContact O-CG 3.48Å; L396-L400 PolarHBondContact O-N 3.49Å; L396-F406 HydrophobicContact CD1-CE1 3.88Å; L396-F406 HydrophobicContact CD1-CZ 3.7Å; L396-M424 HydrophobicContact CD1-CE 3.41Å; L396-M424 VanDerWaalsContact CD1-CE 3.41Å; L396-M424 HydrophobicContact CD2-CE 4.29Å; L396-M424 HydrophobicContact CG-CE 4.46Å; L396-L425 HydrophobicContact CD2-CB 4.31Å; L396-L425 HydrophobicContact CD2-CD1 3.93Å; L396-L428 HydrophobicContact CD2-CD1 4.09Å
397	Q	94.3	Very high	93	Very high	85 Å²	85	50.2 Å²	50.2	40%	0.397	26%	0.262	S	S	.	.	H	α-helix	trans	-64.1	-38.5	177.8	-68.8	-62.9	-19.7	0	0	112.2	Q393 L399 N401	Q393-Q397 WeakPolarHBondContact O-CG 3.3Å; Q393-Q397 PolarHBondContact O-N 3.4Å; Q397-L399 VanDerWaalsContact C-N 3.35Å; Q397-L399 PolarHBondContact O-N 3.03Å; Q397-N401 WeakPolarHBondContact O-CB 3.38Å; Q397-N401 PolarHBondContact O-N 3.32Å; Q397-N401 PolarHBondContact O-ND2 3.3Å
398	K	94.8	Very high	93.2	Very high	113 Å²	113	53.5 Å²	53.5	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-46.3	172.3	-176.4	-159	174.9	-160.5	0	111	E332 R394 T395 L396 N402	E332-K398 IonicContact OE1-NZ 2.68Å; E332-K398 PolarHBondContact OE1-NZ 3.39Å; R394-K398 VanDerWaalsContact O-CB 3.25Å; R394-K398 WeakPolarHBondContact O-CB 3.49Å; R394-K398 PolarHBondContact O-N 3.09Å; T395-K398 WeakPolarHBondContact O-CB 3.49Å; T395-K398 PolarHBondContact O-N 2.92Å; L396-K398 PolarHBondContact O-N 3.3Å; K398-N402 WeakPolarHBondContact O-CB 3.45Å; K398-N402 PolarHBondContact O-N 2.89Å; K398-N402 PolarHBondContact O-ND2 3.04Å
399	L	95	Very high	93.4	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-68.6	-47.7	-179.3	-69.1	168.4	0	0	0	111.9	M328 L336 T395 L396 Q397 N401 N402 N403 F406	M328-L399 HydrophobicContact CB-CD1 4.46Å; M328-L399 HydrophobicContact CB-CD2 4.38Å; M328-L399 HydrophobicContact CE-CD1 4.33Å; L336-L399 HydrophobicContact CD2-CD1 4.44Å; T395-L399 HydrophobicContact CG2-CD1 4.03Å; T395-L399 VanDerWaalsContact O-CG 3.32Å; T395-L399 WeakPolarHBondContact O-CG 3.35Å; T395-L399 PolarHBondContact O-N 3.48Å; L396-L399 PolarHBondContact O-N 2.87Å; Q397-L399 VanDerWaalsContact C-N 3.35Å; Q397-L399 PolarHBondContact O-N 3.03Å; L399-N401 PolarHBondContact O-N 2.87Å; L399-N402 PolarHBondContact O-N 3.29Å; L399-N403 HydrophobicContact CD2-CB 4.41Å; L399-N403 WeakPolarHBondContact O-CA 3.14Å; L399-N403 WeakPolarHBondContact O-CB 3.39Å; L399-N403 PolarHBondContact O-N 2.96Å; L399-F406 HydrophobicContact CB-CD1 3.49Å; L399-F406 VanDerWaalsContact CB-CD1 3.49Å; L399-F406 HydrophobicContact CB-CD2 4.32Å; L399-F406 HydrophobicContact CB-CE1 3.63Å; L399-F406 HydrophobicContact CB-CE2 4.44Å; L399-F406 HydrophobicContact CB-CG 3.86Å; L399-F406 HydrophobicContact CB-CZ 4.12Å; L399-F406 HydrophobicContact CD1-CD2 4.08Å; L399-F406 HydrophobicContact CD1-CE1 4.47Å; L399-F406 HydrophobicContact CD1-CE2 3.91Å; L399-F406 HydrophobicContact CD1-CG 4.44Å; L399-F406 HydrophobicContact CD1-CZ 4.11Å
400	L	94.3	Very high	93.8	Very high	43 Å²	43	53.4 Å²	53.4	23%	0.225	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-29.2	179	-73.8	173.5	0	0	0	114.5	L396 F406 K407 L410	L396-L400 HydrophobicContact CD1-CD1 3.93Å; L396-L400 HydrophobicContact CD1-CG 3.96Å; L396-L400 HydrophobicContact CG-CD1 3.84Å; L396-L400 HydrophobicContact CG-CG 4.31Å; L396-L400 WeakPolarHBondContact O-CB 3.37Å; L396-L400 WeakPolarHBondContact O-CG 3.48Å; L396-L400 PolarHBondContact O-N 3.49Å; L400-F406 HydrophobicContact CD2-CD1 4.48Å; L400-F406 HydrophobicContact CD2-CE1 3.95Å; L400-F406 HydrophobicContact CG-CE1 4.13Å; L400-K407 HydrophobicContact CD2-CG 4.4Å; L400-K407 PolarHBondContact O-NZ 2.75Å; L400-K407 VanDerWaalsContact O-NZ 3.13Å; L400-L410 HydrophobicContact CD2-CD2 3.86Å
401	N	94.6	Very high	94.2	Very high	116 Å²	116	55.7 Å²	55.7	62%	0.62	29%	0.285	S	S	*	.	H	α-helix	trans	-92.8	-34.8	-178.6	-70	-42.2	0	0	0	113.3	Q397 L399	Q397-N401 WeakPolarHBondContact O-CB 3.38Å; Q397-N401 PolarHBondContact O-N 3.32Å; Q397-N401 PolarHBondContact O-ND2 3.3Å; L399-N401 PolarHBondContact O-N 2.87Å
402	N	95	Very high	94.6	Very high	129 Å²	129	59.8 Å²	59.8	69%	0.69	31%	0.305	S	S	*	.	H	α-helix	trans	-109.8	-6.2	-171.6	-56.9	-75.4	0	0	0	114.7	K398 L399	K398-N402 WeakPolarHBondContact O-CB 3.45Å; K398-N402 PolarHBondContact O-N 2.89Å; K398-N402 PolarHBondContact O-ND2 3.04Å; L399-N402 PolarHBondContact O-N 3.29Å
403	N	95.1	Very high	94.6	Very high	42 Å²	42	60.7 Å²	60.7	23%	0.225	31%	0.31	C	S	.	.			trans	-135.5	97.6	-171.5	-173.8	-18.8	0	0	0	111.5	T327 L399 A405 F406 K407	T327-N403 PolarHBondContact O-ND2 3.04Å; L399-N403 HydrophobicContact CD2-CB 4.41Å; L399-N403 WeakPolarHBondContact O-CA 3.14Å; L399-N403 WeakPolarHBondContact O-CB 3.39Å; L399-N403 PolarHBondContact O-N 2.96Å; N403-A405 PolarHBondContact OD1-N 3.05Å; N403-F406 HydrophobicContact CB-CB 4.02Å; N403-F406 PolarHBondContact OD1-N 3.24Å; N403-K407 WeakPolarHBondContact O-CB 3.48Å; N403-K407 PolarHBondContact O-N 3.08Å
404	S	96	Very high	94.8	Very high	85 Å²	85	61.3 Å²	61.3	59%	0.594	31%	0.313	S	S	*	.	H	α-helix	trans	-62.6	-42.9	177.4	47.5	0	0	0	0	112.5	F406 K407 D408	S404-F406 VanDerWaalsContact C-N 3.33Å; S404-F406 PolarHBondContact O-N 3.1Å; S404-K407 WeakPolarHBondContact O-CB 3.37Å; S404-K407 PolarHBondContact O-N 3.42Å; S404-D408 PolarHBondContact O-N 3.45Å
405	A	96.6	Very high	94.9	Very high	53 Å²	53	64.6 Å²	64.6	44%	0.438	33%	0.325	S	S	.	.	H	α-helix	trans	-59.6	-43	179.8	0	0	0	0	0	112	T327 N403 T409	T327-A405 HydrophobicContact CG2-CB 4.18Å; N403-A405 PolarHBondContact OD1-N 3.05Å; A405-T409 VanDerWaalsContact O-CB 3.24Å; A405-T409 WeakPolarHBondContact O-CB 3.25Å; A405-T409 PolarHBondContact O-N 3.1Å; A405-T409 PolarHBondContact O-OG1 3.33Å
406	F	97.4	Very high	94.8	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-50.6	170.6	170.3	-93	0	0	0	111.3	L324 T327 M328 L336 L396 L399 L400 N403 S404 D408 T409 L410 M424	L324-F406 HydrophobicContact CD1-CD2 3.66Å; L324-F406 HydrophobicContact CD1-CE2 3.64Å; L324-F406 HydrophobicContact CD2-CE2 4.46Å; L324-F406 HydrophobicContact CG-CD2 4.33Å; L324-F406 HydrophobicContact CG-CE2 4.12Å; T327-F406 WeakPolarHBondContact OG1-CA 3.45Å; T327-F406 WeakPolarHBondContact OG1-CB 3.24Å; T327-F406 WeakPolarHBondContact OG1-CD2 3.43Å; M328-F406 HydrophobicContact CE-CD2 3.63Å; M328-F406 HydrophobicContact CE-CE2 3.44Å; M328-F406 VanDerWaalsContact CE-CE2 3.44Å; L336-F406 HydrophobicContact CD2-CE2 4.29Å; L336-F406 HydrophobicContact CD2-CZ 4.48Å; L396-F406 HydrophobicContact CD1-CE1 3.88Å; L396-F406 HydrophobicContact CD1-CZ 3.7Å; L399-F406 HydrophobicContact CB-CD1 3.49Å; L399-F406 VanDerWaalsContact CB-CD1 3.49Å; L399-F406 HydrophobicContact CB-CD2 4.32Å; L399-F406 HydrophobicContact CB-CE1 3.63Å; L399-F406 HydrophobicContact CB-CE2 4.44Å; L399-F406 HydrophobicContact CB-CG 3.86Å; L399-F406 HydrophobicContact CB-CZ 4.12Å; L399-F406 HydrophobicContact CD1-CD2 4.08Å; L399-F406 HydrophobicContact CD1-CE1 4.47Å; L399-F406 HydrophobicContact CD1-CE2 3.91Å; L399-F406 HydrophobicContact CD1-CG 4.44Å; L399-F406 HydrophobicContact CD1-CZ 4.11Å; L400-F406 HydrophobicContact CD2-CD1 4.48Å; L400-F406 HydrophobicContact CD2-CE1 3.95Å; L400-F406 HydrophobicContact CG-CE1 4.13Å; N403-F406 HydrophobicContact CB-CB 4.02Å; N403-F406 PolarHBondContact OD1-N 3.24Å; S404-F406 VanDerWaalsContact C-N 3.33Å; S404-F406 PolarHBondContact O-N 3.1Å; F406-D408 PolarHBondContact O-N 3.33Å; F406-T409 PolarHBondContact O-N 3.35Å; F406-L410 HydrophobicContact CE1-CD2 3.88Å; F406-L410 HydrophobicContact CZ-CD2 3.98Å; F406-L410 VanDerWaalsContact O-CB 3.23Å; F406-L410 WeakPolarHBondContact O-CB 3.43Å; F406-L410 PolarHBondContact O-N 2.85Å; F406-M424 HydrophobicContact CZ-CE 4.04Å
407	K	96	Very high	94.5	Very high	87 Å²	87	70.9 Å²	70.9	38%	0.378	37%	0.366	S	S	.	.	H	α-helix	trans	-59.4	-42.2	-176	-173.1	178.5	-162.9	150.4	0	113	L400 N403 S404 K411	L400-K407 HydrophobicContact CD2-CG 4.4Å; L400-K407 PolarHBondContact O-NZ 2.75Å; L400-K407 VanDerWaalsContact O-NZ 3.13Å; N403-K407 WeakPolarHBondContact O-CB 3.48Å; N403-K407 PolarHBondContact O-N 3.08Å; S404-K407 WeakPolarHBondContact O-CB 3.37Å; S404-K407 PolarHBondContact O-N 3.42Å; K407-K411 WeakPolarHBondContact O-CG 3.37Å; K407-K411 PolarHBondContact O-N 3.2Å
408	D	95.9	Very high	94.2	Very high	82 Å²	82	70.1 Å²	70.1	44%	0.439	36%	0.362	S	S	.	.	H	α-helix	trans	-81.4	-33.3	-177.8	-62.5	-38.9	0	0	0	111.8	S404 F406 L410 K411 E412	S404-D408 PolarHBondContact O-N 3.45Å; F406-D408 PolarHBondContact O-N 3.33Å; D408-L410 VanDerWaalsContact C-N 3.33Å; D408-K411 IonicContact OD1-NZ 3.36Å; D408-K411 PolarHBondContact OD1-NZ 3.18Å; D408-E412 PolarHBondContact O-N 3.33Å
409	T	96.3	Very high	93.8	Very high	37 Å²	37	64.8 Å²	64.8	23%	0.227	34%	0.339	C	S	.	.	H	α-helix	trans	-63.8	-38.8	168.5	-56.1	0	0	0	0	111.7	A323 L324 A405 F406 E412 I413	A323-T409 HydrophobicContact CB-CG2 3.78Å; L324-T409 HydrophobicContact CB-CG2 4.3Å; L324-T409 HydrophobicContact CD1-CG2 4.08Å; A405-T409 VanDerWaalsContact O-CB 3.24Å; A405-T409 WeakPolarHBondContact O-CB 3.25Å; A405-T409 PolarHBondContact O-N 3.1Å; A405-T409 PolarHBondContact O-OG1 3.33Å; F406-T409 PolarHBondContact O-N 3.35Å; T409-E412 PolarHBondContact O-N 2.9Å; T409-I413 HydrophobicContact CG2-CD1 4.24Å; T409-I413 WeakPolarHBondContact O-CG1 3.49Å; T409-I413 PolarHBondContact O-N 3.45Å
410	L	95.8	Very high	93.1	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-48.6	178.7	-175.6	67.8	0	0	0	111.3	F318 L324 L400 F406 D408 E412 I413 E414 M424	F318-L410 HydrophobicContact CD1-CD1 3.86Å; F318-L410 HydrophobicContact CE1-CD1 3.9Å; L324-L410 HydrophobicContact CD1-CB 4.16Å; L324-L410 HydrophobicContact CD1-CD1 4.24Å; L324-L410 HydrophobicContact CD2-CD1 4.22Å; L400-L410 HydrophobicContact CD2-CD2 3.86Å; F406-L410 HydrophobicContact CE1-CD2 3.88Å; F406-L410 HydrophobicContact CZ-CD2 3.98Å; F406-L410 VanDerWaalsContact O-CB 3.23Å; F406-L410 WeakPolarHBondContact O-CB 3.43Å; F406-L410 PolarHBondContact O-N 2.85Å; D408-L410 VanDerWaalsContact C-N 3.33Å; L410-E412 PolarHBondContact O-N 3.48Å; L410-I413 WeakPolarHBondContact O-CB 3.4Å; L410-I413 PolarHBondContact O-N 3.19Å; L410-I413 VanDerWaalsContact O-N 3.08Å; L410-E414 HydrophobicContact CG-CG 4.36Å; L410-E414 WeakPolarHBondContact O-CG 3.48Å; L410-E414 PolarHBondContact O-N 3.42Å; L410-M424 HydrophobicContact CD1-CB 3.91Å; L410-M424 HydrophobicContact CD1-CE 3.78Å; L410-M424 HydrophobicContact CD1-CG 4.41Å; L410-M424 HydrophobicContact CD1-SD 3.76Å; L410-M424 HydrophobicContact CD2-CE 4.19Å
411	K	94.3	Very high	92.6	Very high	99 Å²	99	67.4 Å²	67.4	43%	0.43	38%	0.377	S	S	.	.	H	α-helix	trans	-53.3	-42.2	175.1	-72.1	169.1	-171.2	164.1	0	112.2	K407 D408 I413 E414 R415	K407-K411 WeakPolarHBondContact O-CG 3.37Å; K407-K411 PolarHBondContact O-N 3.2Å; D408-K411 IonicContact OD1-NZ 3.36Å; D408-K411 PolarHBondContact OD1-NZ 3.18Å; K411-I413 VanDerWaalsContact C-N 3.29Å; K411-I413 PolarHBondContact O-N 3.24Å; K411-E414 PolarHBondContact O-N 3.04Å; K411-R415 VanDerWaalsContact O-CG 3.28Å; K411-R415 WeakPolarHBondContact O-CG 3.35Å; K411-R415 PolarHBondContact O-N 3.13Å
412	E	94.2	Very high	92.2	Very high	114 Å²	114	66.1 Å²	66.1	53%	0.533	37%	0.37	S	S	.	.	H	α-helix	trans	-68	-31.8	-178.2	-163.1	60.5	-164.9	0	0	112.3	D408 T409 L410 R415	D408-E412 PolarHBondContact O-N 3.33Å; T409-E412 PolarHBondContact O-N 2.9Å; L410-E412 PolarHBondContact O-N 3.48Å; E412-R415 IonicContact OE1-CZ 3.11Å; E412-R415 IonicContact OE1-NH1 3.09Å; E412-R415 PolarHBondContact OE1-NH1 3.03Å; E412-R415 WeakPolarHBondContact OE2-CD 3.15Å; E412-R415 IonicContact OE2-CZ 3.99Å; E412-R415 IonicContact OE2-NE 2.79Å; E412-R415 IonicContact OE2-NH1 3.37Å; E412-R415 PolarHBondContact OE2-NH1 3.4Å
413	I	93.8	Very high	92	Very high	21 Å²	21	62.7 Å²	62.7	11%	0.108	36%	0.355	C	S	.	.	H	α-helix	trans	-71.2	-42.5	171.8	-62.6	165.1	0	0	0	110.5	H317 F318 L324 T409 L410 K411 R415 N416 C419	H317-I413 HydrophobicContact CB-CG2 3.97Å; H317-I413 WeakPolarHBondContact O-CG2 3.36Å; F318-I413 HydrophobicContact CD1-CG2 3.69Å; F318-I413 HydrophobicContact CE1-CB 4.2Å; F318-I413 HydrophobicContact CE1-CG2 3.5Å; F318-I413 HydrophobicContact CE2-CG2 4.39Å; F318-I413 HydrophobicContact CG-CG2 4.23Å; F318-I413 HydrophobicContact CZ-CG2 3.9Å; L324-I413 HydrophobicContact CB-CD1 3.8Å; L324-I413 HydrophobicContact CD1-CD1 4.22Å; L324-I413 HydrophobicContact CD2-CD1 4.12Å; L324-I413 HydrophobicContact CG-CD1 4.26Å; T409-I413 HydrophobicContact CG2-CD1 4.24Å; T409-I413 WeakPolarHBondContact O-CG1 3.49Å; T409-I413 PolarHBondContact O-N 3.45Å; L410-I413 WeakPolarHBondContact O-CB 3.4Å; L410-I413 PolarHBondContact O-N 3.19Å; L410-I413 VanDerWaalsContact O-N 3.08Å; K411-I413 VanDerWaalsContact C-N 3.29Å; K411-I413 PolarHBondContact O-N 3.24Å; I413-R415 PolarHBondContact O-N 2.92Å; I413-N416 WeakPolarHBondContact O-CB 3.49Å; I413-N416 PolarHBondContact O-N 2.81Å; I413-C419 PolarHBondContact O-SG 3Å; I413-C419 VanDerWaalsContact O-SG 3.39Å
414	E	93.6	Very high	91.9	Very high	43 Å²	43	60.7 Å²	60.7	20%	0.201	34%	0.344	C	S	.	.	H	α-helix	trans	-65.5	-22	177.3	-67.2	173.1	156.4	0	0	113	F318 L410 K411 N416 P423 M424	F318-E414 HydrophobicContact CE1-CG 3.85Å; F318-E414 HydrophobicContact CZ-CG 4.08Å; L410-E414 HydrophobicContact CG-CG 4.36Å; L410-E414 WeakPolarHBondContact O-CG 3.48Å; L410-E414 PolarHBondContact O-N 3.42Å; K411-E414 PolarHBondContact O-N 3.04Å; E414-N416 VanDerWaalsContact C-N 3.3Å; E414-P423 VanDerWaalsContact OE1-CA 3.25Å; E414-P423 WeakPolarHBondContact OE1-CA 3.32Å; E414-M424 PolarHBondContact OE1-N 2.65Å
415	R	91.8	Very high	91.7	Very high	183 Å²	183	58.8 Å²	58.8	69%	0.691	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.2	171.7	-73.6	173.8	75.7	-137.1	-4.1	114.3	K411 E412 I413	K411-R415 VanDerWaalsContact O-CG 3.28Å; K411-R415 WeakPolarHBondContact O-CG 3.35Å; K411-R415 PolarHBondContact O-N 3.13Å; E412-R415 IonicContact OE1-CZ 3.11Å; E412-R415 IonicContact OE1-NH1 3.09Å; E412-R415 PolarHBondContact OE1-NH1 3.03Å; E412-R415 WeakPolarHBondContact OE2-CD 3.15Å; E412-R415 IonicContact OE2-CZ 3.99Å; E412-R415 IonicContact OE2-NE 2.79Å; E412-R415 IonicContact OE2-NH1 3.37Å; E412-R415 PolarHBondContact OE2-NH1 3.4Å; I413-R415 PolarHBondContact O-N 2.92Å
416	N	90.8	Very high	91.5	Very high	53 Å²	53	58.6 Å²	58.6	28%	0.283	32%	0.322	S	S	.	.	S	Bend	trans	-65.3	135.5	176.7	-172.5	-24.3	0	0	0	110.6	H317 I413 E414 E418 C419	H317-N416 PolarHBondContact CE1-ND2 2.53Å; H317-N416 PolarHBondContact ND1-ND2 3.35Å; I413-N416 WeakPolarHBondContact O-CB 3.49Å; I413-N416 PolarHBondContact O-N 2.81Å; E414-N416 VanDerWaalsContact C-N 3.3Å; N416-E418 PolarHBondContact O-N 2.86Å; N416-E418 PolarHBondContact OD1-N 3.46Å; N416-C419 WeakPolarHBondContact O-CB 3.28Å; N416-C419 PolarHBondContact O-N 3.11Å
417	S	88.8	Confident	91.3	Very high	96 Å²	96	58.9 Å²	58.9	67%	0.671	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-61.2	-27.6	179.3	51	0	0	0	0	113.5	C419 G420	S417-C419 VanDerWaalsContact C-N 3.25Å; S417-C419 PolarHBondContact O-N 2.79Å; S417-G420 PolarHBondContact O-N 3.24Å
418	E	87.6	Confident	91.2	Very high	68 Å²	68	54.9 Å²	54.9	32%	0.318	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-67.3	-22.6	171.2	-75.8	-167	-147.5	0	0	113.3	I313 R316 H317 N416 G420	I313-E418 WeakPolarHBondContact CD1-O 3.2Å; R316-E418 IonicContact CZ-OE2 3.57Å; R316-E418 IonicContact NH1-OE1 3.26Å; R316-E418 IonicContact NH1-OE2 3.73Å; R316-E418 PolarHBondContact NH1-OE2 3.48Å; R316-E418 IonicContact NH2-OE2 3.41Å; R316-E418 PolarHBondContact NH2-OE2 2.8Å; H317-E418 IonicContact CD2-OE2 3.84Å; H317-E418 IonicContact CE1-OE2 2.78Å; H317-E418 IonicContact NE2-OE1 3.25Å; H317-E418 IonicContact NE2-OE2 2.62Å; H317-E418 PolarHBondContact NE2-OE2 3.38Å; N416-E418 PolarHBondContact O-N 2.86Å; N416-E418 PolarHBondContact OD1-N 3.46Å; E418-G420 VanDerWaalsContact C-N 3.25Å; E418-G420 PolarHBondContact O-N 3.36Å
419	C	86.3	Confident	91	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.014	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-79.1	-8.1	175.4	-64	0	0	0	0	112.8	I413 N416 S417 G421 L422 F427	I413-C419 PolarHBondContact O-SG 3Å; I413-C419 VanDerWaalsContact O-SG 3.39Å; N416-C419 WeakPolarHBondContact O-CB 3.28Å; N416-C419 PolarHBondContact O-N 3.11Å; S417-C419 VanDerWaalsContact C-N 3.25Å; S417-C419 PolarHBondContact O-N 2.79Å; C419-G421 PolarHBondContact O-N 3.2Å; C419-L422 WeakPolarHBondContact O-CB 3.38Å; C419-L422 PolarHBondContact O-N 3.06Å; C419-F427 HydrophobicContact CB-CE2 4.45Å
420	G	81.8	Confident	90.9	Very high	36 Å²	36	51.1 Å²	51.1	37%	0.371	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	15.8	178.8	0	0	0	0	0	115	S417 E418 L422	S417-G420 PolarHBondContact O-N 3.24Å; E418-G420 VanDerWaalsContact C-N 3.25Å; E418-G420 PolarHBondContact O-N 3.36Å; G420-L422 VanDerWaalsContact C-N 3.29Å
421	G	82.3	Confident	90.9	Very high	65 Å²	65	50.9 Å²	50.9	67%	0.67	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	10.3	-170.9	0	0	0	0	0	114.9	C419	C419-G421 PolarHBondContact O-N 3.2Å
422	L	87.2	Confident	90.9	Very high	89 Å²	89	47.7 Å²	47.7	47%	0.466	27%	0.27	S	S	.	.			trans	-83.3	137.9	176.5	-63	175.6	0	0	0	111.2	C419 G420 F427	C419-L422 WeakPolarHBondContact O-CB 3.38Å; C419-L422 PolarHBondContact O-N 3.06Å; G420-L422 VanDerWaalsContact C-N 3.29Å; L422-F427 HydrophobicContact CB-CE2 3.69Å; L422-F427 HydrophobicContact CB-CZ 4.02Å; L422-F427 HydrophobicContact CD1-CZ 4.21Å
423	P	91.3	Very high	90.8	Very high	58 Å²	58	45.1 Å²	45.1	38%	0.377	26%	0.258	S	S	.	.			trans	-74	156.7	175.2	32	-35.4	0	0	0	111.4	E414 L425 S426 F427	E414-P423 VanDerWaalsContact OE1-CA 3.25Å; E414-P423 WeakPolarHBondContact OE1-CA 3.32Å; P423-L425 PolarHBondContact O-N 3.22Å; P423-S426 WeakPolarHBondContact O-CB 3.37Å; P423-S426 PolarHBondContact O-N 3.36Å; P423-F427 WeakPolarHBondContact O-CD2 3.47Å
424	M	92.4	Very high	91	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-54.4	-30.9	-179.9	-172.7	179	59.7	0	0	113.3	L314 F318 L324 L336 F337 L396 F406 L410 E414 S426 F427 L428	L314-M424 HydrophobicContact CD1-CG 4.5Å; F318-M424 HydrophobicContact CB-CG 4.16Å; F318-M424 HydrophobicContact CB-SD 3.85Å; F318-M424 HydrophobicContact CD1-CB 3.68Å; F318-M424 HydrophobicContact CD1-CG 3.48Å; F318-M424 VanDerWaalsContact CD1-CG 3.48Å; F318-M424 HydrophobicContact CD1-SD 3.54Å; F318-M424 VanDerWaalsContact CD1-SD 3.54Å; F318-M424 HydrophobicContact CD2-CG 4.4Å; F318-M424 HydrophobicContact CE1-CB 3.54Å; F318-M424 HydrophobicContact CE1-CG 3.9Å; F318-M424 HydrophobicContact CE1-SD 4.38Å; F318-M424 HydrophobicContact CG-CB 4.33Å; F318-M424 HydrophobicContact CG-CG 3.76Å; F318-M424 HydrophobicContact CG-SD 3.94Å; F318-M424 HydrophobicContact CZ-CB 4.09Å; F318-M424 HydrophobicContact CZ-CG 4.5Å; L324-M424 HydrophobicContact CD2-SD 4.33Å; L336-M424 HydrophobicContact CD1-CE 4.19Å; L336-M424 HydrophobicContact CD2-CE 4.08Å; F337-M424 HydrophobicContact CE1-SD 4.05Å; F337-M424 HydrophobicContact CZ-SD 3.99Å; L396-M424 HydrophobicContact CD1-CE 3.41Å; L396-M424 VanDerWaalsContact CD1-CE 3.41Å; L396-M424 HydrophobicContact CD2-CE 4.29Å; L396-M424 HydrophobicContact CG-CE 4.46Å; F406-M424 HydrophobicContact CZ-CE 4.04Å; L410-M424 HydrophobicContact CD1-CB 3.91Å; L410-M424 HydrophobicContact CD1-CE 3.78Å; L410-M424 HydrophobicContact CD1-CG 4.41Å; L410-M424 HydrophobicContact CD1-SD 3.76Å; L410-M424 HydrophobicContact CD2-CE 4.19Å; E414-M424 PolarHBondContact OE1-N 2.65Å; M424-S426 VanDerWaalsContact C-N 3.29Å; M424-S426 PolarHBondContact O-N 3.3Å; M424-F427 WeakPolarHBondContact O-CB 3.25Å; M424-F427 PolarHBondContact O-N 2.98Å; M424-L428 HydrophobicContact CE-CD1 4.14Å; M424-L428 HydrophobicContact CG-CD1 4.11Å; M424-L428 HydrophobicContact CG-CG 4.27Å; M424-L428 WeakPolarHBondContact O-CG 3.5Å; M424-L428 PolarHBondContact O-N 3.06Å; M424-L428 HydrophobicContact SD-CD1 4.5Å
425	L	91.6	Very high	91	Very high	45 Å²	45	42.7 Å²	42.7	24%	0.236	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-38.7	176.8	-173.1	58	0	0	0	112.5	L226 Y227 L396 P423 F427 L428 I429	L226-L425 HydrophobicContact CD2-CD2 4.35Å; Y227-L425 HydrophobicContact CE2-CD1 3.92Å; Y227-L425 WeakPolarHBondContact OH-CD1 3.37Å; L396-L425 HydrophobicContact CD2-CB 4.31Å; L396-L425 HydrophobicContact CD2-CD1 3.93Å; P423-L425 PolarHBondContact O-N 3.22Å; L425-F427 PolarHBondContact O-N 2.86Å; L425-L428 PolarHBondContact O-N 3.39Å; L425-I429 WeakPolarHBondContact O-CG2 3.23Å; L425-I429 PolarHBondContact O-N 2.93Å
426	S	91.8	Very high	90.9	Very high	48 Å²	48	35.7 Å²	35.7	34%	0.336	22%	0.224	S	C	.	.	H	α-helix	trans	-67.1	-20.9	176.2	-61.6	0	0	0	0	112.9	P423 M424 I429	P423-S426 WeakPolarHBondContact O-CB 3.37Å; P423-S426 PolarHBondContact O-N 3.36Å; M424-S426 VanDerWaalsContact C-N 3.29Å; M424-S426 PolarHBondContact O-N 3.3Å; S426-I429 VanDerWaalsContact O-CG2 3.28Å; S426-I429 WeakPolarHBondContact O-CG2 3.39Å
427	F	93.8	Very high	91	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-87.3	-39.3	172.3	-66.5	-81.2	0	0	0	112.3	S310 I313 L314 F318 C419 L422 P423 M424 L425 I429 L430	S310-F427 WeakPolarHBondContact O-CD1 3.41Å; I313-F427 HydrophobicContact CB-CD1 4.4Å; I313-F427 HydrophobicContact CB-CE1 3.92Å; I313-F427 HydrophobicContact CB-CZ 4.43Å; I313-F427 HydrophobicContact CD1-CE1 4.17Å; I313-F427 HydrophobicContact CG2-CD1 4.11Å; I313-F427 HydrophobicContact CG2-CE1 3.55Å; I313-F427 HydrophobicContact CG2-CE2 4.21Å; I313-F427 HydrophobicContact CG2-CZ 3.61Å; L314-F427 HydrophobicContact CB-CB 4.09Å; L314-F427 HydrophobicContact CD1-CB 3.92Å; L314-F427 HydrophobicContact CD2-CB 4.3Å; L314-F427 WeakPolarHBondContact CD2-O 3.37Å; L314-F427 HydrophobicContact CG-CB 4.32Å; F318-F427 AromaticContact CE2-CD2 3.87Å; F318-F427 HydrophobicContact CE2-CD2 3.87Å; F318-F427 HydrophobicContact CE2-CE2 4.03Å; F318-F427 HydrophobicContact CZ-CD2 4.31Å; F318-F427 HydrophobicContact CZ-CE2 4.38Å; C419-F427 HydrophobicContact CB-CE2 4.45Å; L422-F427 HydrophobicContact CB-CE2 3.69Å; L422-F427 HydrophobicContact CB-CZ 4.02Å; L422-F427 HydrophobicContact CD1-CZ 4.21Å; P423-F427 WeakPolarHBondContact O-CD2 3.47Å; M424-F427 WeakPolarHBondContact O-CB 3.25Å; M424-F427 PolarHBondContact O-N 2.98Å; L425-F427 PolarHBondContact O-N 2.86Å; F427-I429 VanDerWaalsContact C-N 3.29Å; F427-I429 PolarHBondContact O-N 3.32Å; F427-L430 HydrophobicContact CB-CD1 4.31Å; F427-L430 HydrophobicContact CD1-CD1 3.93Å; F427-L430 WeakPolarHBondContact O-CB 3.45Å; F427-L430 WeakPolarHBondContact O-CD1 3.14Å; F427-L430 VanDerWaalsContact O-CG 3.25Å; F427-L430 WeakPolarHBondContact O-CG 3.23Å; F427-L430 PolarHBondContact O-N 2.92Å; F427-L430 VanDerWaalsContact O-N 3.14Å
428	L	94.3	Very high	91.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-63.5	-29.7	-177.7	-74.8	168.2	0	0	0	113.9	L314 L336 F337 Y385 L396 M424 L425	L314-L428 HydrophobicContact CD1-CD2 4.02Å; L314-L428 HydrophobicContact CD1-CG 4.29Å; L314-L428 HydrophobicContact CD2-CD2 4.43Å; L336-L428 HydrophobicContact CD1-CD1 3.87Å; L336-L428 WeakPolarHBondContact O-CD2 3.42Å; F337-L428 HydrophobicContact CD1-CD2 4.22Å; F337-L428 HydrophobicContact CE1-CD2 4.43Å; Y385-L428 WeakPolarHBondContact CE1-O 3.41Å; Y385-L428 PolarHBondContact OH-O 3.44Å; L396-L428 HydrophobicContact CD2-CD1 4.09Å; M424-L428 HydrophobicContact CE-CD1 4.14Å; M424-L428 HydrophobicContact CG-CD1 4.11Å; M424-L428 HydrophobicContact CG-CG 4.27Å; M424-L428 WeakPolarHBondContact O-CG 3.5Å; M424-L428 PolarHBondContact O-N 3.06Å; M424-L428 HydrophobicContact SD-CD1 4.5Å; L425-L428 PolarHBondContact O-N 3.39Å
429	I	91.8	Very high	91.5	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.062	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-24.5	175.3	178.8	65.6	0	0	0	113.6	Y227 I230 L425 S426 F427 P431 M432 Q433	Y227-I429 HydrophobicContact CD1-CD1 3.66Å; Y227-I429 HydrophobicContact CE1-CB 4.24Å; Y227-I429 HydrophobicContact CE1-CD1 3.37Å; Y227-I429 HydrophobicContact CE1-CG1 4.31Å; I230-I429 HydrophobicContact CG2-CD1 4.16Å; I230-I429 HydrophobicContact CG2-CG1 3.94Å; L425-I429 WeakPolarHBondContact O-CG2 3.23Å; L425-I429 PolarHBondContact O-N 2.93Å; S426-I429 VanDerWaalsContact O-CG2 3.28Å; S426-I429 WeakPolarHBondContact O-CG2 3.39Å; F427-I429 VanDerWaalsContact C-N 3.29Å; F427-I429 PolarHBondContact O-N 3.32Å; I429-P431 VanDerWaalsContact C-CD 3.48Å; I429-P431 VanDerWaalsContact O-N 3.12Å; I429-M432 HydrophobicContact CD1-CB 4.06Å; I429-M432 HydrophobicContact CD1-CG 4.36Å; I429-M432 PolarHBondContact O-N 3.36Å; I429-Q433 HydrophobicContact CD1-CG 4.38Å; I429-Q433 HydrophobicContact CG1-CG 3.77Å; I429-Q433 PolarHBondContact O-N 3.07Å
430	L	94.3	Very high	91.7	Very high	28 Å²	28	32.9 Å²	32.9	15%	0.147	20%	0.199	C	C	.	.	H	α-helix	trans	-52.6	-40.6	-166.5	-65.6	170.8	0	0	0	115	Y307 L311 F427 M432 Q433 R434	Y307-L430 HydrophobicContact CD2-CB 4.23Å; Y307-L430 HydrophobicContact CE2-CB 3.89Å; Y307-L430 WeakPolarHBondContact CE2-O 3.46Å; L311-L430 HydrophobicContact CD2-CB 4.39Å; F427-L430 HydrophobicContact CB-CD1 4.31Å; F427-L430 HydrophobicContact CD1-CD1 3.93Å; F427-L430 WeakPolarHBondContact O-CB 3.45Å; F427-L430 WeakPolarHBondContact O-CD1 3.14Å; F427-L430 VanDerWaalsContact O-CG 3.25Å; F427-L430 WeakPolarHBondContact O-CG 3.23Å; F427-L430 PolarHBondContact O-N 2.92Å; F427-L430 VanDerWaalsContact O-N 3.14Å; L430-M432 PolarHBondContact O-N 3.03Å; L430-Q433 PolarHBondContact O-N 2.8Å; L430-R434 PolarHBondContact O-N 2.94Å
431	P	96.2	Very high	92.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-36.2	178.2	-23.4	36.1	0	0	0	114.2	Y307 L311 I340 I343 Y382 Y385 I429 V435	Y307-P431 WeakPolarHBondContact OH-CA 3.23Å; L311-P431 HydrophobicContact CD2-CG 4.14Å; I340-P431 HydrophobicContact CD1-CG 3.58Å; I343-P431 HydrophobicContact CG2-CB 4.24Å; I343-P431 HydrophobicContact CG2-CG 4.21Å; Y382-P431 HydrophobicContact CD1-CB 4.06Å; Y382-P431 WeakPolarHBondContact CD1-O 3.43Å; Y382-P431 HydrophobicContact CE1-CB 3.96Å; Y385-P431 HydrophobicContact CD1-CB 3.68Å; Y385-P431 HydrophobicContact CD1-CG 3.85Å; Y385-P431 HydrophobicContact CE1-CB 3.85Å; Y385-P431 HydrophobicContact CE1-CG 3.55Å; Y385-P431 HydrophobicContact CG-CB 4.34Å; Y385-P431 HydrophobicContact CG-CG 4.43Å; I429-P431 VanDerWaalsContact C-CD 3.48Å; I429-P431 VanDerWaalsContact O-N 3.12Å; P431-V435 PolarHBondContact O-N 3.15Å
432	M	93.3	Very high	92.7	Very high	31 Å²	31	28.4 Å²	28.4	15%	0.153	15%	0.151	C	C	.	.	H	α-helix	trans	-67.4	-46.5	174.7	-179.7	64.6	87.1	0	0	110.1	C386 E389 I429 L430 R434 V435 T436	C386-M432 HydrophobicContact CB-CE 3.66Å; C386-M432 HydrophobicContact CB-SD 4.46Å; E389-M432 WeakPolarHBondContact OE2-CE 3.15Å; I429-M432 HydrophobicContact CD1-CB 4.06Å; I429-M432 HydrophobicContact CD1-CG 4.36Å; I429-M432 PolarHBondContact O-N 3.36Å; L430-M432 PolarHBondContact O-N 3.03Å; M432-R434 PolarHBondContact O-N 3.27Å; M432-V435 WeakPolarHBondContact O-CG1 3.29Å; M432-V435 PolarHBondContact O-N 2.87Å; M432-V435 HydrophobicContact SD-CG1 4.5Å; M432-T436 WeakPolarHBondContact O-CG2 3.24Å; M432-T436 PolarHBondContact O-N 2.74Å; M432-T436 VanDerWaalsContact O-N 3.13Å; M432-T436 PolarHBondContact O-OG1 3.06Å; M432-T436 HydrophobicContact SD-CG2 4.41Å
433	Q	93.2	Very high	92.9	Very high	61 Å²	61	27.3 Å²	27.3	29%	0.285	15%	0.146	S	C	.	.	H	α-helix	trans	-59.4	-42.7	176.6	-83.7	167.2	-19.2	0	0	112.9	I429 L430 T436 R437	I429-Q433 HydrophobicContact CD1-CG 4.38Å; I429-Q433 HydrophobicContact CG1-CG 3.77Å; I429-Q433 PolarHBondContact O-N 3.07Å; L430-Q433 PolarHBondContact O-N 2.8Å; Q433-T436 PolarHBondContact O-N 3.49Å; Q433-T436 PolarHBondContact O-OG1 2.87Å; Q433-R437 WeakPolarHBondContact O-CB 3.4Å; Q433-R437 PolarHBondContact O-N 3.18Å
434	R	96.3	Very high	93	Very high	11 Å²	11	26.6 Å²	26.6	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-67	-46.8	-179.1	-172.2	64	174.9	164.7	-0.9	111.9	I300 S303 E304 Y307 L430 M432 T436 R437 L438	I300-R434 PolarHBondContact O-NH2 2.69Å; S303-R434 PolarHBondContact OG-NH1 3.18Å; S303-R434 PolarHBondContact OG-NH2 2.98Å; E304-R434 VanDerWaalsContact CB-NH2 3.35Å; E304-R434 IonicContact OE2-CZ 2.78Å; E304-R434 IonicContact OE2-NE 3.37Å; E304-R434 PolarHBondContact OE2-NE 3.41Å; E304-R434 IonicContact OE2-NH2 3.48Å; E304-R434 PolarHBondContact OE2-NH2 3.38Å; Y307-R434 HydrophobicContact CD1-CB 4.33Å; Y307-R434 HydrophobicContact CD1-CG 3.78Å; Y307-R434 HydrophobicContact CD2-CB 3.93Å; Y307-R434 HydrophobicContact CD2-CG 4.21Å; Y307-R434 HydrophobicContact CE1-CB 3.99Å; Y307-R434 HydrophobicContact CE1-CG 3.64Å; Y307-R434 HydrophobicContact CE2-CB 3.54Å; Y307-R434 HydrophobicContact CE2-CG 4.09Å; Y307-R434 HydrophobicContact CG-CB 4.29Å; Y307-R434 HydrophobicContact CG-CG 4.05Å; L430-R434 PolarHBondContact O-N 2.94Å; M432-R434 PolarHBondContact O-N 3.27Å; R434-T436 PolarHBondContact O-N 3.38Å; R434-R437 PolarHBondContact O-N 3.37Å; R434-L438 HydrophobicContact CG-CD1 4.17Å; R434-L438 HydrophobicContact CG-CG 4.4Å; R434-L438 WeakPolarHBondContact O-CG 3.14Å; R434-L438 PolarHBondContact O-N 2.85Å
435	V	93.3	Very high	93	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-31.9	179.8	76.7	0	0	0	0	111.5	Y382 P431 M432 P439 M466 L469 V470	Y382-V435 HydrophobicContact CD1-CB 4.02Å; Y382-V435 HydrophobicContact CE1-CB 4.49Å; P431-V435 PolarHBondContact O-N 3.15Å; M432-V435 WeakPolarHBondContact O-CG1 3.29Å; M432-V435 PolarHBondContact O-N 2.87Å; M432-V435 HydrophobicContact SD-CG1 4.5Å; V435-P439 WeakPolarHBondContact O-CD 3.43Å; V435-M466 HydrophobicContact CG2-CE 3.9Å; V435-L469 HydrophobicContact CG2-CD2 3.51Å; V435-L469 HydrophobicContact CG2-CG 3.83Å; V435-V470 HydrophobicContact CG2-CG2 4.06Å; V435-V470 WeakPolarHBondContact O-CG2 2.97Å
436	T	90.6	Very high	93.1	Very high	35 Å²	35	24.9 Å²	24.9	22%	0.215	13%	0.132	C	C	.	.	H	α-helix	trans	-80.2	-27.2	173.6	57	0	0	0	0	115	M432 Q433 R434 V470	M432-T436 WeakPolarHBondContact O-CG2 3.24Å; M432-T436 PolarHBondContact O-N 2.74Å; M432-T436 VanDerWaalsContact O-N 3.13Å; M432-T436 PolarHBondContact O-OG1 3.06Å; M432-T436 HydrophobicContact SD-CG2 4.41Å; Q433-T436 PolarHBondContact O-N 3.49Å; Q433-T436 PolarHBondContact O-OG1 2.87Å; R434-T436 PolarHBondContact O-N 3.38Å; T436-V470 HydrophobicContact CG2-CG1 4.26Å
437	R	92.7	Very high	93	Very high	64 Å²	64	28 Å²	28	24%	0.242	14%	0.141	C	C	.	.	H	α-helix	trans	-79.3	-35.7	178.6	-173	174.1	178.1	111.9	-3.6	112.6	T238 E299 Q433 R434 L440 L441	T238-R437 PolarHBondContact OG1-NH1 3.49Å; T238-R437 PolarHBondContact OG1-NH2 3.26Å; E299-R437 IonicContact OE1-CZ 3.36Å; E299-R437 IonicContact OE1-NE 3.17Å; E299-R437 IonicContact OE1-NH2 2.83Å; E299-R437 PolarHBondContact OE1-NH2 3.38Å; Q433-R437 WeakPolarHBondContact O-CB 3.4Å; Q433-R437 PolarHBondContact O-N 3.18Å; R434-R437 PolarHBondContact O-N 3.37Å; R437-L440 WeakPolarHBondContact O-CB 3.48Å; R437-L440 PolarHBondContact O-N 3.35Å; R437-L441 HydrophobicContact CG-CD1 4.18Å; R437-L441 HydrophobicContact CG-CD2 4.35Å; R437-L441 HydrophobicContact CG-CG 4.1Å; R437-L441 PolarHBondContact O-N 3.33Å
438	L	94.8	Very high	92.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-52.5	-44.2	-178.2	-82.1	169.1	0	0	0	114.4	I300 F350 F379 R434 L440 L441 L442 M466	I300-L438 HydrophobicContact CG2-CD2 4.35Å; F350-L438 HydrophobicContact CE1-CD1 4.49Å; F350-L438 HydrophobicContact CE1-CD2 4.32Å; F350-L438 HydrophobicContact CZ-CD2 4.42Å; F379-L438 HydrophobicContact CE2-CD1 4.15Å; R434-L438 HydrophobicContact CG-CD1 4.17Å; R434-L438 HydrophobicContact CG-CG 4.4Å; R434-L438 WeakPolarHBondContact O-CG 3.14Å; R434-L438 PolarHBondContact O-N 2.85Å; L438-L440 VanDerWaalsContact C-N 3.3Å; L438-L440 PolarHBondContact O-N 2.73Å; L438-L441 PolarHBondContact O-N 3.14Å; L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 2.91Å; L438-M466 HydrophobicContact CB-CE 3.75Å; L438-M466 HydrophobicContact CB-CG 4.48Å; L438-M466 HydrophobicContact CB-SD 4.49Å; L438-M466 HydrophobicContact CD1-CE 3.76Å; L438-M466 HydrophobicContact CD1-SD 4.29Å; L438-M466 HydrophobicContact CG-CE 4.42Å
439	P	91.9	Very high	92.7	Very high	14 Å²	14	30.8 Å²	30.8	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-53.6	-40.6	170.3	-27.2	32.8	0	0	0	114.5	V435 L441 L442 D443 L463 M466 V470	V435-P439 WeakPolarHBondContact O-CD 3.43Å; P439-L441 VanDerWaalsContact C-N 3.35Å; P439-L441 PolarHBondContact O-N 3.45Å; P439-L442 PolarHBondContact O-N 2.8Å; P439-D443 WeakPolarHBondContact O-CB 3.29Å; P439-D443 PolarHBondContact O-N 3.06Å; P439-L463 HydrophobicContact CB-CD1 3.92Å; P439-L463 WeakPolarHBondContact O-CD1 3.43Å; P439-M466 HydrophobicContact CG-CB 3.97Å; P439-V470 HydrophobicContact CG-CG2 4.14Å
440	L	90.7	Very high	92.6	Very high	80 Å²	80	36.9 Å²	36.9	42%	0.419	18%	0.182	S	C	.	.	H	α-helix	trans	-70.3	-33.9	-176.6	-50.7	174.9	0	0	0	111.8	L235 R437 L438 T444	L235-L440 HydrophobicContact CD2-CD1 3.63Å; R437-L440 WeakPolarHBondContact O-CB 3.48Å; R437-L440 PolarHBondContact O-N 3.35Å; L438-L440 VanDerWaalsContact C-N 3.3Å; L438-L440 PolarHBondContact O-N 2.73Å; L440-T444 WeakPolarHBondContact O-CB 3.41Å; L440-T444 PolarHBondContact O-N 3.25Å; L440-T444 PolarHBondContact O-OG1 3.19Å
441	L	92.4	Very high	92.3	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-72.8	-38.5	175	-53.6	-178.4	0	0	0	111.2	E299 I300 R437 L438 P439 T444 I445	E299-L441 VanDerWaalsContact OE1-CD2 3.24Å; E299-L441 WeakPolarHBondContact OE1-CD2 3.43Å; I300-L441 HydrophobicContact CD1-CB 3.68Å; I300-L441 HydrophobicContact CG1-CB 3.53Å; I300-L441 HydrophobicContact CG1-CD1 3.86Å; I300-L441 HydrophobicContact CG1-CG 4.31Å; R437-L441 HydrophobicContact CG-CD1 4.18Å; R437-L441 HydrophobicContact CG-CD2 4.35Å; R437-L441 HydrophobicContact CG-CG 4.1Å; R437-L441 PolarHBondContact O-N 3.33Å; L438-L441 PolarHBondContact O-N 3.14Å; P439-L441 VanDerWaalsContact C-N 3.35Å; P439-L441 PolarHBondContact O-N 3.45Å; L441-T444 WeakPolarHBondContact O-CB 3.26Å; L441-T444 PolarHBondContact O-N 3.07Å; L441-I445 PolarHBondContact O-N 3.08Å
442	L	93.6	Very high	91.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-41.2	173.5	-70.2	167.2	0	0	0	112.3	I300 V371 L438 P439 T444 I445 C446 A462 L463 M466	I300-L442 HydrophobicContact CD1-CD2 4.22Å; I300-L442 HydrophobicContact CD1-CG 4.44Å; V371-L442 HydrophobicContact CB-CD2 4.44Å; V371-L442 HydrophobicContact CG1-CD1 3.89Å; V371-L442 HydrophobicContact CG1-CD2 4.22Å; V371-L442 HydrophobicContact CG2-CD2 4.38Å; L438-L442 WeakPolarHBondContact O-CG 3.42Å; L438-L442 PolarHBondContact O-N 2.91Å; P439-L442 PolarHBondContact O-N 2.8Å; L442-T444 VanDerWaalsContact C-N 3.3Å; L442-T444 PolarHBondContact O-N 3.43Å; L442-I445 PolarHBondContact O-N 3.05Å; L442-C446 PolarHBondContact O-N 3.01Å; L442-C446 PolarHBondContact O-SG 2.92Å; L442-A462 HydrophobicContact CD1-CB 4.25Å; L442-A462 HydrophobicContact CD2-CB 4.06Å; L442-L463 HydrophobicContact CB-CB 4.11Å; L442-L463 HydrophobicContact CB-CD1 4.18Å; L442-M466 HydrophobicContact CD1-CB 4.03Å; L442-M466 HydrophobicContact CD1-CG 3.63Å
443	D	90.6	Very high	91.7	Very high	66 Å²	66	47.4 Å²	47.4	35%	0.353	24%	0.236	S	C	.	.	H	α-helix	trans	-62	-40	172.5	-174.7	73.6	0	0	0	111.1	P439 I445 C446 Q447 L463	P439-D443 WeakPolarHBondContact O-CB 3.29Å; P439-D443 PolarHBondContact O-N 3.06Å; D443-I445 VanDerWaalsContact C-N 3.33Å; D443-I445 PolarHBondContact O-N 3.3Å; D443-C446 WeakPolarHBondContact O-CB 3.13Å; D443-C446 PolarHBondContact O-N 3.09Å; D443-C446 VanDerWaalsContact O-N 3.11Å; D443-Q447 WeakPolarHBondContact O-CG 3.09Å; D443-Q447 PolarHBondContact O-N 3.11Å; D443-Q447 PolarHBondContact OD2-NE2 3.37Å; D443-L463 HydrophobicContact CB-CD1 4.41Å; D443-L463 HydrophobicContact CB-CD2 4.2Å
444	T	92.7	Very high	91.7	Very high	42 Å²	42	47.8 Å²	47.8	26%	0.258	25%	0.25	S	C	.	.	H	α-helix	trans	-59.7	-42.3	173	-58.2	0	0	0	0	111.6	A296 L440 L441 L442 Q447 K448	A296-T444 HydrophobicContact CB-CG2 4.05Å; L440-T444 WeakPolarHBondContact O-CB 3.41Å; L440-T444 PolarHBondContact O-N 3.25Å; L440-T444 PolarHBondContact O-OG1 3.19Å; L441-T444 WeakPolarHBondContact O-CB 3.26Å; L441-T444 PolarHBondContact O-N 3.07Å; L442-T444 VanDerWaalsContact C-N 3.3Å; L442-T444 PolarHBondContact O-N 3.43Å; T444-Q447 PolarHBondContact O-N 2.96Å; T444-K448 WeakPolarHBondContact O-CG 3.41Å; T444-K448 PolarHBondContact O-N 2.88Å
445	I	93.8	Very high	91.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-63	-43.7	172.7	-69.1	170.9	0	0	0	111.1	A296 I297 I300 I367 L441 L442 D443 Q447 K448 T449 A459	A296-I445 HydrophobicContact CB-CG1 3.86Å; I297-I445 HydrophobicContact CG1-CD1 3.88Å; I297-I445 HydrophobicContact CG1-CG1 4.24Å; I300-I445 HydrophobicContact CD1-CD1 3.51Å; I300-I445 HydrophobicContact CG1-CD1 4.31Å; I367-I445 HydrophobicContact CD1-CD1 4.21Å; L441-I445 PolarHBondContact O-N 3.08Å; L442-I445 PolarHBondContact O-N 3.05Å; D443-I445 VanDerWaalsContact C-N 3.33Å; D443-I445 PolarHBondContact O-N 3.3Å; I445-Q447 VanDerWaalsContact C-N 3.32Å; I445-Q447 PolarHBondContact O-N 2.95Å; I445-K448 PolarHBondContact O-N 3.26Å; I445-K448 VanDerWaalsContact O-N 3.14Å; I445-T449 WeakPolarHBondContact O-CB 3.37Å; I445-T449 PolarHBondContact O-N 3.49Å; I445-T449 PolarHBondContact O-OG1 3.27Å; I445-A459 HydrophobicContact CG2-CB 4.22Å
446	C	92.3	Very high	91.4	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.054	27%	0.267	C	S	.	.	H	α-helix	trans	-56	-47.4	175.7	-63.2	0	0	0	0	110.8	L442 D443 K448 T449 A459	L442-C446 PolarHBondContact O-N 3.01Å; L442-C446 PolarHBondContact O-SG 2.92Å; D443-C446 WeakPolarHBondContact O-CB 3.13Å; D443-C446 PolarHBondContact O-N 3.09Å; D443-C446 VanDerWaalsContact O-N 3.11Å; C446-K448 VanDerWaalsContact C-N 3.29Å; C446-K448 PolarHBondContact O-N 3.24Å; C446-T449 PolarHBondContact O-N 2.95Å; C446-A459 VanDerWaalsContact SG-CB 3.56Å
447	Q	91	Very high	91.6	Very high	113 Å²	113	53.9 Å²	53.9	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-22	178.4	-67.9	175.7	25.4	0	0	115.1	D443 T444 I445	D443-Q447 WeakPolarHBondContact O-CG 3.09Å; D443-Q447 PolarHBondContact O-N 3.11Å; D443-Q447 PolarHBondContact OD2-NE2 3.37Å; T444-Q447 PolarHBondContact O-N 2.96Å; I445-Q447 VanDerWaalsContact C-N 3.32Å; I445-Q447 PolarHBondContact O-N 2.95Å
448	K	90.6	Very high	91.7	Very high	59 Å²	59	51.7 Å²	51.7	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-99.4	-20.6	177.6	-51.9	-38.4	167.9	-131.1	0	112.6	Q289 K292 R293 T444 I445 C446	Q289-K448 VanDerWaalsContact CG-O 3.31Å; Q289-K448 WeakPolarHBondContact CG-O 3.25Å; Q289-K448 PolarHBondContact NE2-O 3.2Å; K292-K448 HydrophobicContact CB-CG 4.29Å; R293-K448 HydrophobicContact CB-CB 4.04Å; R293-K448 HydrophobicContact CG-CB 4.31Å; T444-K448 WeakPolarHBondContact O-CG 3.41Å; T444-K448 PolarHBondContact O-N 2.88Å; I445-K448 PolarHBondContact O-N 3.26Å; I445-K448 VanDerWaalsContact O-N 3.14Å; C446-K448 VanDerWaalsContact C-N 3.29Å; C446-K448 PolarHBondContact O-N 3.24Å
449	T	91.3	Very high	91.7	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	27%	0.268	C	S	.	.	S	Bend	trans	-72.1	152	174.6	-52.4	0	0	0	0	110.4	R293 I445 C446 E455	R293-T449 WeakPolarHBondContact CD-OG1 3.35Å; I445-T449 WeakPolarHBondContact O-CB 3.37Å; I445-T449 PolarHBondContact O-N 3.49Å; I445-T449 PolarHBondContact O-OG1 3.27Å; C446-T449 PolarHBondContact O-N 2.95Å; T449-E455 HydrophobicContact CG2-CB 3.81Å
450	Q	89.4	Confident	91.8	Very high	140 Å²	140	53.2 Å²	53.2	65%	0.654	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-74.7	129.9	177.6	179	176.5	-7.9	0	0	110.6	T453 Y456	Q450-T453 HydrophobicContact CB-CG2 3.85Å; Q450-T453 HydrophobicContact CG-CG2 4.04Å; Q450-T453 WeakPolarHBondContact O-CB 3.39Å; Q450-T453 VanDerWaalsContact O-CG2 3.32Å; Q450-T453 WeakPolarHBondContact O-CG2 3.35Å; Q450-T453 PolarHBondContact O-N 3.14Å; Q450-T453 PolarHBondContact O-OG1 2.9Å; Q450-Y456 WeakPolarHBondContact O-CB 3.45Å
451	D	86.8	Confident	92	Very high	108 Å²	108	56.2 Å²	56.2	58%	0.578	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	146.4	179	-68.9	-27.7	0	0	0	112.8	T453 Y456	D451-T453 PolarHBondContact O-N 2.67Å; D451-T453 VanDerWaalsContact O-N 3.12Å; D451-Y456 WeakPolarHBondContact OD1-CE2 3.43Å
452	Q	86.4	Confident	92.2	Very high	139 Å²	139	55.9 Å²	55.9	65%	0.65	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	9	177.5	-47.7	-59.7	-52.5	0	0	115.8
453	T	92.1	Very high	92.2	Very high	34 Å²	34	57.4 Å²	57.4	21%	0.209	29%	0.289	C	S	.	.	S	Bend	trans	-77.3	162.8	170.6	58.6	0	0	0	0	112.5	Q450 D451 E455 Y456 F457	Q450-T453 HydrophobicContact CB-CG2 3.85Å; Q450-T453 HydrophobicContact CG-CG2 4.04Å; Q450-T453 WeakPolarHBondContact O-CB 3.39Å; Q450-T453 VanDerWaalsContact O-CG2 3.32Å; Q450-T453 WeakPolarHBondContact O-CG2 3.35Å; Q450-T453 PolarHBondContact O-N 3.14Å; Q450-T453 PolarHBondContact O-OG1 2.9Å; D451-T453 PolarHBondContact O-N 2.67Å; D451-T453 VanDerWaalsContact O-N 3.12Å; T453-E455 VanDerWaalsContact C-N 3.27Å; T453-E455 PolarHBondContact O-N 2.91Å; T453-Y456 WeakPolarHBondContact O-CB 3.35Å; T453-Y456 PolarHBondContact O-N 2.89Å; T453-Y456 VanDerWaalsContact OG1-CB 3.32Å; T453-Y456 WeakPolarHBondContact OG1-CB 3.34Å; T453-Y456 PolarHBondContact OG1-N 2.92Å; T453-Y456 VanDerWaalsContact OG1-N 3.16Å; T453-F457 WeakPolarHBondContact O-CD2 3.33Å; T453-F457 PolarHBondContact O-N 3.3Å; T453-F457 VanDerWaalsContact O-N 3.13Å
454	A	92.2	Very high	92.3	Very high	69 Å²	69	59.7 Å²	59.7	57%	0.57	30%	0.296	S	S	*	.	H	α-helix	trans	-63.1	-38	175.7	0	0	0	0	0	111.5	F457 A458	A454-F457 PolarHBondContact O-N 2.68Å; A454-A458 WeakPolarHBondContact O-CB 3.48Å; A454-A458 PolarHBondContact O-N 3.05Å
455	E	91.9	Very high	92.4	Very high	39 Å²	39	58.7 Å²	58.7	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-42.1	174.9	-65.2	67.9	-154.6	0	0	111.2	R365 T449 T453 A458 A459	R365-E455 IonicContact CZ-OE1 3.18Å; R365-E455 VanDerWaalsContact CZ-OE1 3.26Å; R365-E455 IonicContact NH1-OE1 3.08Å; R365-E455 PolarHBondContact NH1-OE1 3.39Å; R365-E455 IonicContact NH2-OE1 3.72Å; T449-E455 HydrophobicContact CG2-CB 3.81Å; T453-E455 VanDerWaalsContact C-N 3.27Å; T453-E455 PolarHBondContact O-N 2.91Å; E455-A458 PolarHBondContact O-N 3.2Å; E455-A459 WeakPolarHBondContact O-CB 3.5Å; E455-A459 PolarHBondContact O-N 3.41Å
456	Y	92.8	Very high	92.5	Very high	58 Å²	58	58.6 Å²	58.6	23%	0.227	29%	0.292	C	S	.	.	H	α-helix	trans	-62.1	-47.5	175.2	175.8	-87.9	0	0	0	111.6	Q450 D451 T453 A458 A459 V460	Q450-Y456 WeakPolarHBondContact O-CB 3.45Å; D451-Y456 WeakPolarHBondContact OD1-CE2 3.43Å; T453-Y456 WeakPolarHBondContact O-CB 3.35Å; T453-Y456 PolarHBondContact O-N 2.89Å; T453-Y456 VanDerWaalsContact OG1-CB 3.32Å; T453-Y456 WeakPolarHBondContact OG1-CB 3.34Å; T453-Y456 PolarHBondContact OG1-N 2.92Å; T453-Y456 VanDerWaalsContact OG1-N 3.16Å; Y456-A458 PolarHBondContact O-N 2.95Å; Y456-A459 PolarHBondContact O-N 3.27Å; Y456-V460 HydrophobicContact CD1-CG2 4.28Å; Y456-V460 HydrophobicContact CE1-CG2 3.92Å; Y456-V460 WeakPolarHBondContact O-CG2 3.34Å; Y456-V460 PolarHBondContact O-N 2.86Å
457	F	93.9	Very high	92.3	Very high	78 Å²	78	60.5 Å²	60.5	34%	0.342	31%	0.305	S	S	.	.	H	α-helix	trans	-65.6	-37.9	177.9	-73	-64.3	0	0	0	112.7	T453 A454 V460 W461	T453-F457 WeakPolarHBondContact O-CD2 3.33Å; T453-F457 PolarHBondContact O-N 3.3Å; T453-F457 VanDerWaalsContact O-N 3.13Å; A454-F457 PolarHBondContact O-N 2.68Å; F457-V460 PolarHBondContact O-N 2.81Å; F457-W461 HydrophobicContact CB-CZ2 4.46Å; F457-W461 VanDerWaalsContact O-CG 3.23Å; F457-W461 PolarHBondContact O-N 3.33Å
458	A	94.9	Very high	92.3	Very high	19 Å²	19	58.7 Å²	58.7	16%	0.157	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-46.2	173.9	0	0	0	0	0	111.6	S368 A454 E455 Y456 V460 W461 A462	S368-A458 VanDerWaalsContact CB-C 3.48Å; S368-A458 WeakPolarHBondContact CB-O 3.44Å; A454-A458 WeakPolarHBondContact O-CB 3.48Å; A454-A458 PolarHBondContact O-N 3.05Å; E455-A458 PolarHBondContact O-N 3.2Å; Y456-A458 PolarHBondContact O-N 2.95Å; A458-V460 PolarHBondContact O-N 3.49Å; A458-W461 PolarHBondContact O-N 2.86Å; A458-A462 PolarHBondContact O-N 3.4Å
459	A	94.1	Very high	92.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-41.4	176.7	0	0	0	0	0	112.2	S368 I445 C446 E455 Y456 W461 A462 L463	S368-A459 VanDerWaalsContact OG-CA 3.31Å; S368-A459 WeakPolarHBondContact OG-CA 3.45Å; S368-A459 PolarHBondContact OG-N 3.31Å; I445-A459 HydrophobicContact CG2-CB 4.22Å; C446-A459 VanDerWaalsContact SG-CB 3.56Å; E455-A459 WeakPolarHBondContact O-CB 3.5Å; E455-A459 PolarHBondContact O-N 3.41Å; Y456-A459 PolarHBondContact O-N 3.27Å; A459-W461 VanDerWaalsContact C-N 3.35Å; A459-W461 PolarHBondContact O-N 2.93Å; A459-A462 PolarHBondContact O-N 3.35Å; A459-L463 VanDerWaalsContact O-CB 3.28Å; A459-L463 WeakPolarHBondContact O-CB 3.4Å; A459-L463 PolarHBondContact O-N 2.84Å
460	V	93.4	Very high	92.4	Very high	48 Å²	48	57 Å²	57	29%	0.291	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-37.2	174.4	168.8	0	0	0	0	111.9	Y456 F457 A458 K464	Y456-V460 HydrophobicContact CD1-CG2 4.28Å; Y456-V460 HydrophobicContact CE1-CG2 3.92Å; Y456-V460 WeakPolarHBondContact O-CG2 3.34Å; Y456-V460 PolarHBondContact O-N 2.86Å; F457-V460 PolarHBondContact O-N 2.81Å; A458-V460 PolarHBondContact O-N 3.49Å; V460-K464 WeakPolarHBondContact O-CB 3.42Å; V460-K464 PolarHBondContact O-N 3.46Å
461	W	95.4	Very high	92.2	Very high	143 Å²	143	54.1 Å²	54.1	54%	0.542	28%	0.282	S	S	.	.	H	α-helix	trans	-71.9	-37.9	175.5	-64.9	-19.2	0	0	0	113	F457 A458 A459 K464 A465	F457-W461 HydrophobicContact CB-CZ2 4.46Å; F457-W461 VanDerWaalsContact O-CG 3.23Å; F457-W461 PolarHBondContact O-N 3.33Å; A458-W461 PolarHBondContact O-N 2.86Å; A459-W461 VanDerWaalsContact C-N 3.35Å; A459-W461 PolarHBondContact O-N 2.93Å; W461-K464 PolarHBondContact O-N 3.19Å; W461-A465 PolarHBondContact O-N 3.13Å
462	A	96.3	Very high	92.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-43.7	171.5	0	0	0	0	0	111.8	V371 Q372 L442 A458 A459 K464 A465 M466	V371-A462 HydrophobicContact CB-CB 4.31Å; Q372-A462 HydrophobicContact CB-CB 4.26Å; L442-A462 HydrophobicContact CD1-CB 4.25Å; L442-A462 HydrophobicContact CD2-CB 4.06Å; A458-A462 PolarHBondContact O-N 3.4Å; A459-A462 PolarHBondContact O-N 3.35Å; A462-K464 VanDerWaalsContact C-N 3.32Å; A462-K464 PolarHBondContact O-N 2.78Å; A462-A465 PolarHBondContact O-N 3.36Å; A462-M466 PolarHBondContact O-N 2.8Å
463	L	94.3	Very high	92.6	Very high	32 Å²	32	45.9 Å²	45.9	17%	0.168	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-44.4	174.5	174.4	58.9	0	0	0	111.3	P439 L442 D443 A459 M466 S467	P439-L463 HydrophobicContact CB-CD1 3.92Å; P439-L463 WeakPolarHBondContact O-CD1 3.43Å; L442-L463 HydrophobicContact CB-CB 4.11Å; L442-L463 HydrophobicContact CB-CD1 4.18Å; D443-L463 HydrophobicContact CB-CD1 4.41Å; D443-L463 HydrophobicContact CB-CD2 4.2Å; A459-L463 VanDerWaalsContact O-CB 3.28Å; A459-L463 WeakPolarHBondContact O-CB 3.4Å; A459-L463 PolarHBondContact O-N 2.84Å; L463-M466 PolarHBondContact O-N 2.72Å; L463-S467 VanDerWaalsContact O-CB 3.29Å; L463-S467 WeakPolarHBondContact O-CB 3.41Å; L463-S467 PolarHBondContact O-N 3Å; L463-S467 PolarHBondContact O-OG 2.93Å
464	K	92.1	Very high	92.3	Very high	114 Å²	114	46.4 Å²	46.4	50%	0.496	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-43.7	175.9	-175.3	171.7	178.6	170.3	0	112.1	V460 W461 A462 S467 K468 V714	V460-K464 WeakPolarHBondContact O-CB 3.42Å; V460-K464 PolarHBondContact O-N 3.46Å; W461-K464 PolarHBondContact O-N 3.19Å; A462-K464 VanDerWaalsContact C-N 3.32Å; A462-K464 PolarHBondContact O-N 2.78Å; K464-S467 PolarHBondContact O-N 3.37Å; K464-K468 PolarHBondContact O-N 2.89Å; K464-V714 HydrophobicContact CD-CG1 4.23Å; K464-V714 VanDerWaalsContact CE-CG2 3.47Å; K464-V714 HydrophobicContact CG-CG1 3.84Å
465	A	95.5	Very high	92	Very high	21 Å²	21	45.7 Å²	45.7	17%	0.174	23%	0.228	C	C	.	.	H	α-helix	trans	-63.3	-45.6	176.9	0	0	0	0	0	112.4	Q372 A375 W461 A462 S467 K468 L469	Q372-A465 HydrophobicContact CG-CB 4.29Å; A375-A465 HydrophobicContact CB-CB 3.87Å; W461-A465 PolarHBondContact O-N 3.13Å; A462-A465 PolarHBondContact O-N 3.36Å; A465-S467 PolarHBondContact O-N 3Å; A465-K468 PolarHBondContact O-N 3.17Å; A465-L469 PolarHBondContact O-N 2.66Å; A465-L469 VanDerWaalsContact O-N 3.1Å
466	M	94.9	Very high	91.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.9	-37.1	176.1	-75.5	-57.1	-45.2	0	0	112.8	V371 A375 F379 V435 L438 P439 L442 A462 L463 L469 V470	V371-M466 HydrophobicContact CG1-CG 3.92Å; V371-M466 HydrophobicContact CG1-SD 4.31Å; A375-M466 HydrophobicContact CB-CG 4.27Å; A375-M466 HydrophobicContact CB-SD 3.64Å; F379-M466 HydrophobicContact CD2-CE 4.28Å; F379-M466 HydrophobicContact CD2-SD 3.82Å; F379-M466 HydrophobicContact CE2-CE 4.35Å; F379-M466 HydrophobicContact CE2-SD 3.78Å; V435-M466 HydrophobicContact CG2-CE 3.9Å; L438-M466 HydrophobicContact CB-CE 3.75Å; L438-M466 HydrophobicContact CB-CG 4.48Å; L438-M466 HydrophobicContact CB-SD 4.49Å; L438-M466 HydrophobicContact CD1-CE 3.76Å; L438-M466 HydrophobicContact CD1-SD 4.29Å; L438-M466 HydrophobicContact CG-CE 4.42Å; P439-M466 HydrophobicContact CG-CB 3.97Å; L442-M466 HydrophobicContact CD1-CB 4.03Å; L442-M466 HydrophobicContact CD1-CG 3.63Å; A462-M466 PolarHBondContact O-N 2.8Å; L463-M466 PolarHBondContact O-N 2.72Å; M466-L469 HydrophobicContact CE-CD2 3.82Å; M466-L469 PolarHBondContact O-N 2.68Å; M466-L469 HydrophobicContact SD-CD2 4.24Å; M466-V470 WeakPolarHBondContact O-CG2 3.31Å; M466-V470 PolarHBondContact O-N 3.22Å
467	S	89.7	Confident	91.5	Very high	48 Å²	48	42.5 Å²	42.5	34%	0.336	22%	0.221	S	C	.	.	H	α-helix	trans	-67.3	-36.2	176.8	-58.9	0	0	0	0	112.3	L463 K464 A465 V470 T471	L463-S467 VanDerWaalsContact O-CB 3.29Å; L463-S467 WeakPolarHBondContact O-CB 3.41Å; L463-S467 PolarHBondContact O-N 3Å; L463-S467 PolarHBondContact O-OG 2.93Å; K464-S467 PolarHBondContact O-N 3.37Å; A465-S467 PolarHBondContact O-N 3Å; S467-V470 PolarHBondContact O-N 3.29Å; S467-T471 PolarHBondContact O-N 2.99Å; S467-T471 VanDerWaalsContact O-N 3.14Å; S467-T471 PolarHBondContact O-OG1 3.28Å
468	K	91.3	Very high	91.1	Very high	75 Å²	75	42.8 Å²	42.8	33%	0.326	22%	0.22	S	C	.	.	H	α-helix	trans	-61.8	-49.1	171.2	-172.9	-177.8	178.1	78.5	0	111	K464 A465 V470 T471 E472 V714	K464-K468 PolarHBondContact O-N 2.89Å; A465-K468 PolarHBondContact O-N 3.17Å; K468-V470 VanDerWaalsContact C-N 3.34Å; K468-V470 PolarHBondContact O-N 3.2Å; K468-T471 CarbonylContact O-C 3.6Å; K468-T471 WeakPolarHBondContact O-CA 3.42Å; K468-T471 VanDerWaalsContact O-CB 3.29Å; K468-T471 WeakPolarHBondContact O-CB 3.42Å; K468-T471 PolarHBondContact O-N 2.91Å; K468-E472 WeakPolarHBondContact CE-OE1 3.42Å; K468-E472 IonicContact NZ-OE1 2.67Å; K468-E472 PolarHBondContact O-N 3.06Å; K468-V714 HydrophobicContact CB-CG1 4.43Å; K468-V714 HydrophobicContact CD-CG1 4.46Å; K468-V714 PolarHBondContact NZ-O 2.9Å; K468-V714 PolarHBondContact NZ-OXT 3.34Å
469	L	93.3	Very high	90.7	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-57.6	-42.5	177.3	177.1	69.2	0	0	0	112.8	F379 I383 V435 A465 M466 T471 E472 C473	F379-L469 HydrophobicContact CB-CD1 4.2Å; F379-L469 HydrophobicContact CB-CD2 3.46Å; F379-L469 VanDerWaalsContact CB-CD2 3.46Å; F379-L469 HydrophobicContact CB-CG 4.49Å; F379-L469 HydrophobicContact CD2-CD2 3.62Å; F379-L469 HydrophobicContact CG-CD2 4.03Å; I383-L469 HydrophobicContact CD1-CD1 4Å; I383-L469 HydrophobicContact CG1-CD1 3.77Å; V435-L469 HydrophobicContact CG2-CD2 3.51Å; V435-L469 HydrophobicContact CG2-CG 3.83Å; A465-L469 PolarHBondContact O-N 2.66Å; A465-L469 VanDerWaalsContact O-N 3.1Å; M466-L469 HydrophobicContact CE-CD2 3.82Å; M466-L469 PolarHBondContact O-N 2.68Å; M466-L469 HydrophobicContact SD-CD2 4.24Å; L469-T471 VanDerWaalsContact C-N 3.27Å; L469-T471 PolarHBondContact O-N 2.77Å; L469-E472 PolarHBondContact O-N 3.47Å; L469-C473 WeakPolarHBondContact O-CB 3.42Å; L469-C473 PolarHBondContact O-N 2.89Å; L469-C473 PolarHBondContact O-SG 3.24Å
470	V	89.3	Confident	90.3	Very high	29 Å²	29	49.6 Å²	49.6	18%	0.176	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-38.3	174.5	170.9	0	0	0	0	111.6	V435 T436 P439 M466 S467 K468 N474	V435-V470 HydrophobicContact CG2-CG2 4.06Å; V435-V470 WeakPolarHBondContact O-CG2 2.97Å; T436-V470 HydrophobicContact CG2-CG1 4.26Å; P439-V470 HydrophobicContact CG-CG2 4.14Å; M466-V470 WeakPolarHBondContact O-CG2 3.31Å; M466-V470 PolarHBondContact O-N 3.22Å; S467-V470 PolarHBondContact O-N 3.29Å; K468-V470 VanDerWaalsContact C-N 3.34Å; K468-V470 PolarHBondContact O-N 3.2Å; V470-N474 WeakPolarHBondContact O-CB 3.17Å; V470-N474 PolarHBondContact O-N 2.89Å; V470-N474 VanDerWaalsContact O-N 3.11Å
471	T	86.2	Confident	90	Very high	78 Å²	78	53 Å²	53	48%	0.479	26%	0.257	S	S	.	.	H	α-helix	trans	-66.6	-44.1	176.1	-54.6	0	0	0	0	111.1	S467 K468 L469 C473 N474 D475	S467-T471 PolarHBondContact O-N 2.99Å; S467-T471 VanDerWaalsContact O-N 3.14Å; S467-T471 PolarHBondContact O-OG1 3.28Å; K468-T471 CarbonylContact O-C 3.6Å; K468-T471 WeakPolarHBondContact O-CA 3.42Å; K468-T471 VanDerWaalsContact O-CB 3.29Å; K468-T471 WeakPolarHBondContact O-CB 3.42Å; K468-T471 PolarHBondContact O-N 2.91Å; L469-T471 VanDerWaalsContact C-N 3.27Å; L469-T471 PolarHBondContact O-N 2.77Å; T471-C473 PolarHBondContact O-N 3.37Å; T471-N474 WeakPolarHBondContact O-CB 3.37Å; T471-N474 PolarHBondContact O-N 3.01Å; T471-D475 PolarHBondContact O-N 3.2Å
472	E	89.8	Confident	89.7	Confident	73 Å²	73	50.6 Å²	50.6	34%	0.341	25%	0.247	S	C	.	.	H	α-helix	trans	-65.7	-36.8	177.1	-69.4	179.2	175.3	0	0	112.9	I383 K468 L469 D475 G476	I383-E472 HydrophobicContact CD1-CB 3.84Å; I383-E472 WeakPolarHBondContact CD1-OE2 3.43Å; I383-E472 HydrophobicContact CG1-CB 4.16Å; K468-E472 WeakPolarHBondContact CE-OE1 3.42Å; K468-E472 IonicContact NZ-OE1 2.67Å; K468-E472 PolarHBondContact O-N 3.06Å; L469-E472 PolarHBondContact O-N 3.47Å; E472-D475 PolarHBondContact O-N 3.05Å; E472-G476 PolarHBondContact O-N 3.11Å
473	C	90.2	Very high	89.3	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.014	26%	0.258	C	S	.	.	H	α-helix	trans	-59.4	-45.5	169.7	-73.9	0	0	0	0	111.9	I383 C386 L469 T471 G476 A477	I383-C473 VanDerWaalsContact CA-SG 3.59Å; C386-C473 HydrophobicContact CB-CB 3.93Å; L469-C473 WeakPolarHBondContact O-CB 3.42Å; L469-C473 PolarHBondContact O-N 2.89Å; L469-C473 PolarHBondContact O-SG 3.24Å; T471-C473 PolarHBondContact O-N 3.37Å; C473-G476 PolarHBondContact O-N 2.95Å; C473-A477 PolarHBondContact O-N 3.43Å
474	N	85.9	Confident	89	Confident	45 Å²	45	53.1 Å²	53.1	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-39.6	178.7	-174.6	95.6	0	0	0	111.5	R231 V470 T471 A477 R478	R231-N474 PolarHBondContact NH1-OD1 3.36Å; R231-N474 PolarHBondContact NH2-OD1 3.09Å; V470-N474 WeakPolarHBondContact O-CB 3.17Å; V470-N474 PolarHBondContact O-N 2.89Å; V470-N474 VanDerWaalsContact O-N 3.11Å; T471-N474 WeakPolarHBondContact O-CB 3.37Å; T471-N474 PolarHBondContact O-N 3.01Å; N474-A477 PolarHBondContact O-N 3.3Å; N474-R478 PolarHBondContact ND2-NE 2.82Å; N474-R478 WeakPolarHBondContact O-CG 3.46Å; N474-R478 PolarHBondContact O-N 3.32Å
475	D	85.9	Confident	88.9	Confident	53 Å²	53	50.6 Å²	50.6	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-70.3	-33.2	173.2	-81.1	-8.2	0	0	0	113.5	T471 E472 R478 R479	T471-D475 PolarHBondContact O-N 3.2Å; E472-D475 PolarHBondContact O-N 3.05Å; D475-R478 PolarHBondContact O-N 3Å; D475-R478 IonicContact OD1-CZ 3.79Å; D475-R478 IonicContact OD1-NE 2.71Å; D475-R478 PolarHBondContact OD1-NE 2.86Å; D475-R478 IonicContact OD1-NH2 3.54Å; D475-R478 PolarHBondContact OD1-NH2 2.74Å; D475-R479 WeakPolarHBondContact O-CB 3.44Å; D475-R479 PolarHBondContact O-N 3.44Å
476	G	88.5	Confident	88.8	Confident	2 Å²	2	49.6 Å²	49.6	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-56.3	-51.8	169.4	0	0	0	0	0	111.8	S387 E472 C473 R479 M480	S387-G476 WeakPolarHBondContact OG-CA 3.46Å; S387-G476 PolarHBondContact OG-O 2.82Å; E472-G476 PolarHBondContact O-N 3.11Å; C473-G476 PolarHBondContact O-N 2.95Å; G476-R479 PolarHBondContact O-N 3.34Å; G476-M480 WeakPolarHBondContact O-CB 3.45Å; G476-M480 PolarHBondContact O-N 2.71Å
477	A	86.7	Confident	88.6	Confident	28 Å²	28	52.8 Å²	52.8	23%	0.231	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-49.9	175.5	0	0	0	0	0	112.4	C473 N474 R479 M480 E481	C473-A477 PolarHBondContact O-N 3.43Å; N474-A477 PolarHBondContact O-N 3.3Å; A477-R479 VanDerWaalsContact C-N 3.31Å; A477-R479 PolarHBondContact O-N 3.41Å; A477-M480 PolarHBondContact O-N 3.24Å; A477-M480 VanDerWaalsContact O-N 3.14Å; A477-E481 PolarHBondContact O-N 2.84Å
478	R	84.6	Confident	88.7	Confident	84 Å²	84	53.7 Å²	53.7	32%	0.317	26%	0.259	S	S	.	.	H	α-helix	trans	-58.4	-40.7	177	-70.3	-166.3	-71.9	-168.8	1.2	112.4	N474 D475 R482 E680	N474-R478 PolarHBondContact ND2-NE 2.82Å; N474-R478 WeakPolarHBondContact O-CG 3.46Å; N474-R478 PolarHBondContact O-N 3.32Å; D475-R478 PolarHBondContact O-N 3Å; D475-R478 IonicContact OD1-CZ 3.79Å; D475-R478 IonicContact OD1-NE 2.71Å; D475-R478 PolarHBondContact OD1-NE 2.86Å; D475-R478 IonicContact OD1-NH2 3.54Å; D475-R478 PolarHBondContact OD1-NH2 2.74Å; R478-R482 WeakPolarHBondContact O-CB 3.36Å; R478-R482 VanDerWaalsContact O-CD 3.31Å; R478-R482 WeakPolarHBondContact O-CD 3.35Å; R478-R482 WeakPolarHBondContact O-CG 3.15Å; R478-R482 PolarHBondContact O-N 2.77Å; R478-R482 VanDerWaalsContact O-N 3.11Å; R478-E680 IonicContact CZ-OE1 3.66Å; R478-E680 IonicContact NH1-OE1 2.76Å; R478-E680 PolarHBondContact NH1-OE1 2.84Å
479	R	86.9	Confident	88.8	Confident	120 Å²	120	50.2 Å²	50.2	45%	0.453	24%	0.244	S	C	.	.	H	α-helix	trans	-69.1	-35.4	177.7	-166.5	-175.4	-56.3	107.6	1	112	D475 G476 A477 T483	D475-R479 WeakPolarHBondContact O-CB 3.44Å; D475-R479 PolarHBondContact O-N 3.44Å; G476-R479 PolarHBondContact O-N 3.34Å; A477-R479 VanDerWaalsContact C-N 3.31Å; A477-R479 PolarHBondContact O-N 3.41Å; R479-T483 WeakPolarHBondContact O-CB 3.3Å; R479-T483 PolarHBondContact O-N 3.46Å; R479-T483 PolarHBondContact O-OG1 2.87Å
480	M	87.1	Confident	88.8	Confident	43 Å²	43	53.4 Å²	53.4	21%	0.212	26%	0.258	C	S	.	.	H	α-helix	trans	-68.3	-47.5	176.1	-171	62.2	75.9	0	0	111.7	Y164 S387 F391 G476 A477 R482 T483 E484	Y164-M480 HydrophobicContact CE1-SD 4.45Å; S387-M480 WeakPolarHBondContact O-CB 3.42Å; S387-M480 WeakPolarHBondContact O-CG 3.23Å; F391-M480 HydrophobicContact CD2-CG 4.38Å; F391-M480 HydrophobicContact CE2-CG 3.61Å; F391-M480 HydrophobicContact CE2-SD 3.9Å; G476-M480 WeakPolarHBondContact O-CB 3.45Å; G476-M480 PolarHBondContact O-N 2.71Å; A477-M480 PolarHBondContact O-N 3.24Å; A477-M480 VanDerWaalsContact O-N 3.14Å; M480-R482 PolarHBondContact O-N 2.85Å; M480-T483 WeakPolarHBondContact O-CB 3.33Å; M480-T483 PolarHBondContact O-N 2.87Å; M480-T483 VanDerWaalsContact O-N 3.09Å; M480-E484 PolarHBondContact O-N 3.01Å
481	E	85.9	Confident	88.9	Confident	120 Å²	120	58.8 Å²	58.8	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-57.8	-46.8	175.6	-179.1	179.9	-147	0	0	111.8	A477 T483 E484 Q485	A477-E481 PolarHBondContact O-N 2.84Å; E481-T483 VanDerWaalsContact C-N 3.29Å; E481-T483 PolarHBondContact O-N 3.24Å; E481-E484 PolarHBondContact O-N 3.21Å; E481-Q485 WeakPolarHBondContact O-CB 3.3Å; E481-Q485 PolarHBondContact O-N 2.79Å
482	R	88.9	Confident	89.3	Confident	92 Å²	92	57.1 Å²	57.1	35%	0.347	27%	0.266	S	S	.	.	H	α-helix	trans	-57	-41.8	173.9	-71.3	165	179.7	-158.5	3.6	111.8	R478 M480 Q485 M486 W509	R478-R482 WeakPolarHBondContact O-CB 3.36Å; R478-R482 VanDerWaalsContact O-CD 3.31Å; R478-R482 WeakPolarHBondContact O-CD 3.35Å; R478-R482 WeakPolarHBondContact O-CG 3.15Å; R478-R482 PolarHBondContact O-N 2.77Å; R478-R482 VanDerWaalsContact O-N 3.11Å; M480-R482 PolarHBondContact O-N 2.85Å; R482-Q485 PolarHBondContact O-N 3.03Å; R482-M486 WeakPolarHBondContact O-CB 3.43Å; R482-M486 PolarHBondContact O-N 3.13Å; R482-W509 HydrophobicContact CB-CB 4.22Å; R482-W509 HydrophobicContact CG-CB 3.79Å
483	T	89.3	Confident	89.5	Confident	35 Å²	35	54.6 Å²	54.6	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-67.1	-40.5	178.4	-57	0	0	0	0	112.1	R479 M480 E481 M486 Y487 V504	R479-T483 WeakPolarHBondContact O-CB 3.3Å; R479-T483 PolarHBondContact O-N 3.46Å; R479-T483 PolarHBondContact O-OG1 2.87Å; M480-T483 WeakPolarHBondContact O-CB 3.33Å; M480-T483 PolarHBondContact O-N 2.87Å; M480-T483 VanDerWaalsContact O-N 3.09Å; E481-T483 VanDerWaalsContact C-N 3.29Å; E481-T483 PolarHBondContact O-N 3.24Å; T483-M486 WeakPolarHBondContact O-CB 3.19Å; T483-M486 PolarHBondContact O-N 3.37Å; T483-Y487 PolarHBondContact O-N 2.97Å; T483-V504 HydrophobicContact CG2-CG1 4.21Å
484	E	86.9	Confident	89.7	Confident	49 Å²	49	57.4 Å²	57.4	23%	0.229	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-45.9	174.1	-179.9	-178.5	-132	0	0	111.8	F391 R394 M480 E481 M486 Y487 T488	F391-E484 VanDerWaalsContact CE1-OE1 3.29Å; F391-E484 WeakPolarHBondContact CE1-OE1 3.18Å; F391-E484 HydrophobicContact CZ-CB 4.34Å; F391-E484 HydrophobicContact CZ-CG 4.44Å; R394-E484 IonicContact CZ-OE1 3.11Å; R394-E484 IonicContact CZ-OE2 3.62Å; R394-E484 VanDerWaalsContact CZ-OE2 3.26Å; R394-E484 IonicContact NH1-OE1 2.72Å; R394-E484 PolarHBondContact NH1-OE1 3.19Å; R394-E484 IonicContact NH1-OE2 2.71Å; R394-E484 PolarHBondContact NH1-OE2 3.42Å; R394-E484 IonicContact NH2-OE2 2.99Å; R394-E484 PolarHBondContact NH2-OE2 2.8Å; M480-E484 PolarHBondContact O-N 3.01Å; E481-E484 PolarHBondContact O-N 3.21Å; E484-M486 PolarHBondContact O-N 3.31Å; E484-Y487 PolarHBondContact O-N 2.87Å; E484-T488 WeakPolarHBondContact O-CB 3.31Å; E484-T488 PolarHBondContact O-N 2.94Å; E484-T488 PolarHBondContact O-OG1 2.86Å
485	Q	90.2	Very high	89.9	Confident	62 Å²	62	56.6 Å²	56.6	29%	0.29	26%	0.264	S	S	.	.	H	α-helix	trans	-55.9	-41.1	175.1	-171.1	-168.4	80.4	0	0	110.4	E481 R482 T488 I489	E481-Q485 WeakPolarHBondContact O-CB 3.3Å; E481-Q485 PolarHBondContact O-N 2.79Å; R482-Q485 PolarHBondContact O-N 3.03Å; Q485-T488 PolarHBondContact O-N 3.31Å; Q485-I489 HydrophobicContact CG-CD1 4.11Å; Q485-I489 WeakPolarHBondContact O-CG1 3.41Å; Q485-I489 PolarHBondContact O-N 2.93Å
486	M	93.8	Very high	90	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.5	-44.1	177.4	-143.1	56.4	42.6	0	0	113.2	R482 T483 E484 T488 I489 Q490 L503 R508 F539	R482-M486 WeakPolarHBondContact O-CB 3.43Å; R482-M486 PolarHBondContact O-N 3.13Å; T483-M486 WeakPolarHBondContact O-CB 3.19Å; T483-M486 PolarHBondContact O-N 3.37Å; E484-M486 PolarHBondContact O-N 3.31Å; M486-T488 VanDerWaalsContact C-N 3.33Å; M486-I489 PolarHBondContact O-N 3.27Å; M486-Q490 WeakPolarHBondContact O-CB 3.25Å; M486-Q490 PolarHBondContact O-N 3.22Å; M486-L503 HydrophobicContact CG-CG 4.05Å; M486-L503 WeakPolarHBondContact CG-O 3.39Å; M486-L503 HydrophobicContact SD-CD1 4.38Å; M486-L503 HydrophobicContact SD-CD2 4.32Å; M486-L503 HydrophobicContact SD-CG 3.88Å; M486-R508 HydrophobicContact CE-CB 4.44Å; M486-R508 HydrophobicContact CE-CG 4.08Å; M486-R508 HydrophobicContact SD-CB 4.31Å; M486-R508 HydrophobicContact SD-CG 3.75Å; M486-F539 HydrophobicContact CE-CD1 3.84Å; M486-F539 HydrophobicContact CE-CE1 3.86Å; M486-F539 HydrophobicContact SD-CD1 3.55Å; M486-F539 VanDerWaalsContact SD-CD1 3.55Å; M486-F539 HydrophobicContact SD-CE1 3.31Å; M486-F539 WeakPolarHBondContact SD-CE1 3.47Å; M486-F539 HydrophobicContact SD-CZ 4.26Å
487	Y	90.8	Very high	89.9	Confident	66 Å²	66	67.2 Å²	67.2	26%	0.259	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-37.2	175.2	177.2	-108.9	0	0	0	112	V168 T483 E484 Q490 K491 V504	V168-Y487 HydrophobicContact CG1-CD1 4.45Å; V168-Y487 HydrophobicContact CG1-CD2 3.87Å; V168-Y487 HydrophobicContact CG1-CE1 4.01Å; V168-Y487 HydrophobicContact CG1-CE2 3.36Å; V168-Y487 HydrophobicContact CG1-CG 4.38Å; V168-Y487 VanDerWaalsContact CG1-CZ 3.41Å; V168-Y487 PolarHBondContact O-OH 3.27Å; V168-Y487 VanDerWaalsContact O-OH 3.07Å; T483-Y487 PolarHBondContact O-N 2.97Å; E484-Y487 PolarHBondContact O-N 2.87Å; Y487-Q490 PolarHBondContact O-N 2.84Å; Y487-K491 HydrophobicContact CE1-CD 4.27Å; Y487-K491 VanDerWaalsContact CE1-NZ 3.34Å; Y487-K491 PolarHBondContact O-N 3.46Å; Y487-K491 VanDerWaalsContact OH-CE 3.23Å; Y487-K491 WeakPolarHBondContact OH-CE 3.32Å; Y487-K491 PolarHBondContact OH-NZ 3.37Å; Y487-V504 HydrophobicContact CD2-CG2 4.26Å
488	T	91.3	Very high	90.1	Very high	68 Å²	68	67.4 Å²	67.4	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-49	176	-56	0	0	0	0	110.9	E484 Q485 M486 Q490 K491 Q492	E484-T488 WeakPolarHBondContact O-CB 3.31Å; E484-T488 PolarHBondContact O-N 2.94Å; E484-T488 PolarHBondContact O-OG1 2.86Å; Q485-T488 PolarHBondContact O-N 3.31Å; M486-T488 VanDerWaalsContact C-N 3.33Å; T488-Q490 VanDerWaalsContact C-N 3.34Å; T488-Q490 PolarHBondContact O-N 2.89Å; T488-K491 PolarHBondContact O-N 3.3Å; T488-Q492 WeakPolarHBondContact O-CG 3.46Å
489	I	93.3	Very high	90.3	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-63.9	-40.2	176.2	-64	160.7	0	0	0	110.5	Q485 M486 K491 Q492 M493 L503 L510 F537 F539	Q485-I489 HydrophobicContact CG-CD1 4.11Å; Q485-I489 WeakPolarHBondContact O-CG1 3.41Å; Q485-I489 PolarHBondContact O-N 2.93Å; M486-I489 PolarHBondContact O-N 3.27Å; I489-K491 PolarHBondContact O-N 2.82Å; I489-Q492 WeakPolarHBondContact O-CA 3.42Å; I489-Q492 WeakPolarHBondContact O-CB 3.44Å; I489-Q492 PolarHBondContact O-N 3.08Å; I489-M493 HydrophobicContact CG2-CE 3.61Å; I489-M493 HydrophobicContact CG2-CG 4.35Å; I489-M493 WeakPolarHBondContact O-CG 3.27Å; I489-M493 PolarHBondContact O-N 2.77Å; I489-L503 HydrophobicContact CB-CD2 3.98Å; I489-L503 HydrophobicContact CG2-CD2 3.69Å; I489-L510 HydrophobicContact CD1-CD1 4.42Å; I489-L510 HydrophobicContact CD1-CD2 4.18Å; I489-F537 HydrophobicContact CD1-CD1 4.4Å; I489-F537 HydrophobicContact CG1-CE1 4.34Å; I489-F537 HydrophobicContact CG2-CD1 3.9Å; I489-F537 HydrophobicContact CG2-CE1 3.8Å; I489-F537 HydrophobicContact CG2-CZ 4.41Å; I489-F539 HydrophobicContact CD1-CE1 4.06Å; I489-F539 HydrophobicContact CD1-CZ 4.33Å; I489-F539 HydrophobicContact CG2-CZ 4.26Å
490	Q	92.9	Very high	90.4	Very high	71 Å²	71	69.7 Å²	69.7	33%	0.332	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-33.8	179.8	-161	-175.4	-88.2	0	0	112.5	M486 Y487 T488 Q492 M493 L503 V504	M486-Q490 WeakPolarHBondContact O-CB 3.25Å; M486-Q490 PolarHBondContact O-N 3.22Å; Y487-Q490 PolarHBondContact O-N 2.84Å; T488-Q490 VanDerWaalsContact C-N 3.34Å; T488-Q490 PolarHBondContact O-N 2.89Å; Q490-Q492 VanDerWaalsContact C-N 3.26Å; Q490-Q492 PolarHBondContact O-N 3.42Å; Q490-M493 PolarHBondContact O-N 3.46Å; Q490-L503 HydrophobicContact CB-CB 4.06Å; Q490-L503 HydrophobicContact CB-CD2 4.05Å; Q490-L503 HydrophobicContact CG-CB 3.86Å; Q490-V504 HydrophobicContact CB-CG2 4.47Å; Q490-V504 VanDerWaalsContact OE1-N 3.1Å
491	K	92.3	Very high	90.4	Very high	141 Å²	141	69 Å²	69	61%	0.613	34%	0.343	S	S	*	.	H	α-helix	trans	-69.1	-20.3	174	-76.8	-175	173.3	177.6	0	114.3	Y487 T488 I489	Y487-K491 HydrophobicContact CE1-CD 4.27Å; Y487-K491 VanDerWaalsContact CE1-NZ 3.34Å; Y487-K491 PolarHBondContact O-N 3.46Å; Y487-K491 VanDerWaalsContact OH-CE 3.23Å; Y487-K491 WeakPolarHBondContact OH-CE 3.32Å; Y487-K491 PolarHBondContact OH-NZ 3.37Å; T488-K491 PolarHBondContact O-N 3.3Å; I489-K491 PolarHBondContact O-N 2.82Å
492	Q	93.8	Very high	90.6	Very high	44 Å²	44	67.7 Å²	67.7	21%	0.206	35%	0.345	C	S	.	.	H	α-helix	trans	-91.8	-6.2	179.9	-59	179.5	-33.4	0	0	112.4	T488 I489 Q490 E552 S553 F554	T488-Q492 WeakPolarHBondContact O-CG 3.46Å; I489-Q492 WeakPolarHBondContact O-CA 3.42Å; I489-Q492 WeakPolarHBondContact O-CB 3.44Å; I489-Q492 PolarHBondContact O-N 3.08Å; Q490-Q492 VanDerWaalsContact C-N 3.26Å; Q490-Q492 PolarHBondContact O-N 3.42Å; Q492-E552 WeakPolarHBondContact CA-O 3.49Å; Q492-E552 WeakPolarHBondContact CB-O 3.42Å; Q492-E552 WeakPolarHBondContact CG-O 3.44Å; Q492-S553 WeakPolarHBondContact O-CA 3.4Å; Q492-F554 HydrophobicContact CB-CD2 3.96Å; Q492-F554 HydrophobicContact CB-CE2 4.31Å; Q492-F554 PolarHBondContact O-N 2.78Å
493	M	94.1	Very high	90.6	Very high	19 Å²	19	63.3 Å²	63.3	9%	0.094	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118	-175.8	-67.7	-72.7	-174.3	0	0	112.5	I489 Q490 F495 F537 I544 T546 F554 V556	I489-M493 HydrophobicContact CG2-CE 3.61Å; I489-M493 HydrophobicContact CG2-CG 4.35Å; I489-M493 WeakPolarHBondContact O-CG 3.27Å; I489-M493 PolarHBondContact O-N 2.77Å; Q490-M493 PolarHBondContact O-N 3.46Å; M493-F495 HydrophobicContact CB-CD2 4.31Å; M493-F495 HydrophobicContact CB-CE2 3.81Å; M493-F495 HydrophobicContact CB-CZ 4.43Å; M493-F537 HydrophobicContact CE-CB 4.26Å; M493-F537 HydrophobicContact CE-CD1 4.18Å; M493-F537 HydrophobicContact CE-CD2 3.38Å; M493-F537 HydrophobicContact CE-CE1 4.33Å; M493-F537 HydrophobicContact CE-CE2 3.54Å; M493-F537 HydrophobicContact CE-CG 3.71Å; M493-F537 HydrophobicContact CE-CZ 4.03Å; M493-I544 HydrophobicContact CE-CG2 4.31Å; M493-T546 HydrophobicContact CE-CG2 4.06Å; M493-T546 HydrophobicContact SD-CG2 3.81Å; M493-F554 HydrophobicContact SD-CB 4.34Å; M493-V556 HydrophobicContact CB-CG2 4.29Å; M493-V556 HydrophobicContact SD-CG2 3.71Å
494	D	93.6	Very high	90.7	Very high	61 Å²	61	63.6 Å²	63.6	33%	0.326	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	107.2	168.1	178.6	-1.7	0	0	0	108.6	G496 K549 F554 V555 V556	D494-G496 VanDerWaalsContact C-N 3.34Å; D494-G496 PolarHBondContact OD1-N 3.27Å; D494-K549 IonicContact OD2-NZ 2.76Å; D494-F554 PolarHBondContact N-O 2.91Å; D494-V555 HydrophobicContact CB-CG2 4.35Å; D494-V555 CarbonylContact O-C 3.54Å; D494-V555 WeakPolarHBondContact O-CA 3.33Å; D494-V556 PolarHBondContact O-N 2.74Å
495	F	91.1	Very high	90.8	Very high	28 Å²	28	63 Å²	63	12%	0.123	33%	0.332	C	S	.	.			trans	-77.4	-16.9	-178.8	-76.1	-91.6	0	0	0	113.5	M493 K497 I498 F501 V556	M493-F495 HydrophobicContact CB-CD2 4.31Å; M493-F495 HydrophobicContact CB-CE2 3.81Å; M493-F495 HydrophobicContact CB-CZ 4.43Å; F495-K497 PolarHBondContact O-N 2.68Å; F495-I498 WeakPolarHBondContact O-CB 3.47Å; F495-I498 PolarHBondContact O-N 2.78Å; F495-F501 HydrophobicContact CE1-CB 3.63Å; F495-F501 VanDerWaalsContact CE1-N 3.25Å; F495-F501 HydrophobicContact CZ-CB 3.78Å; F495-V556 HydrophobicContact CD1-CB 4.06Å; F495-V556 HydrophobicContact CD1-CG1 4.15Å; F495-V556 HydrophobicContact CD1-CG2 3.84Å; F495-V556 HydrophobicContact CD2-CG2 4.45Å; F495-V556 HydrophobicContact CE1-CB 4.4Å; F495-V556 HydrophobicContact CE1-CG1 4.25Å; F495-V556 HydrophobicContact CE1-CG2 3.87Å; F495-V556 HydrophobicContact CE2-CG2 4.48Å; F495-V556 HydrophobicContact CG-CG2 4.14Å; F495-V556 HydrophobicContact CZ-CG2 4.19Å
496	G	88.6	Confident	90.3	Very high	63 Å²	63	63.6 Å²	63.6	65%	0.649	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-98.7	177.9	0	0	0	0	0	114.5	D494	D494-G496 VanDerWaalsContact C-N 3.34Å; D494-G496 PolarHBondContact OD1-N 3.27Å
497	K	86	Confident	89.9	Confident	215 Å²	215	67 Å²	67	94%	0.935	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-12.7	177.3	-63.8	-173.3	179.4	-174.8	0	113.9	F495	F495-K497 PolarHBondContact O-N 2.68Å
498	I	90.1	Very high	90	Very high	32 Å²	32	64.9 Å²	64.9	16%	0.164	36%	0.362	C	S	.	.	S	Bend	trans	-73.2	146.7	178.1	-55.4	-57.3	0	0	0	108.7	F495 P500 V556 L557 Y559	F495-I498 WeakPolarHBondContact O-CB 3.47Å; F495-I498 PolarHBondContact O-N 2.78Å; I498-P500 WeakPolarHBondContact O-CD 3.47Å; I498-V556 HydrophobicContact CG2-CG1 4.28Å; I498-L557 VanDerWaalsContact CD1-O 3.24Å; I498-L557 WeakPolarHBondContact CD1-O 3.31Å; I498-L557 WeakPolarHBondContact CG1-O 3.4Å; I498-Y559 HydrophobicContact CG2-CD1 4.07Å; I498-Y559 HydrophobicContact CG2-CE1 3.86Å
499	K	88.8	Confident	89.9	Confident	152 Å²	152	65.3 Å²	65.3	66%	0.661	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-58.6	127.1	177.5	-175.1	176.5	179.7	178.4	0	110	F501 Y559	K499-F501 PolarHBondContact O-N 3.09Å; K499-Y559 WeakPolarHBondContact O-CE1 3.39Å
500	P	89	Confident	89.9	Confident	100 Å²	100	65.5 Å²	65.5	65%	0.649	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-58.7	126.4	178.7	-27.6	36.1	0	0	0	112.4	I498	I498-P500 WeakPolarHBondContact O-CD 3.47Å
501	F	87.7	Confident	89.8	Confident	28 Å²	28	62.9 Å²	62.9	12%	0.123	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-95	129.1	178.1	-175.3	-92.3	0	0	0	110.7	F495 K499 L503 V542 I544 Y559	F495-F501 HydrophobicContact CE1-CB 3.63Å; F495-F501 VanDerWaalsContact CE1-N 3.25Å; F495-F501 HydrophobicContact CZ-CB 3.78Å; K499-F501 PolarHBondContact O-N 3.09Å; F501-L503 HydrophobicContact CD1-CB 4.47Å; F501-L503 HydrophobicContact CD1-CD1 3.93Å; F501-L503 HydrophobicContact CE1-CD1 4.06Å; F501-L503 PolarHBondContact O-N 3.11Å; F501-V542 HydrophobicContact CE1-CB 4.4Å; F501-V542 HydrophobicContact CE1-CG1 3.76Å; F501-V542 HydrophobicContact CE1-CG2 4.39Å; F501-V542 HydrophobicContact CE2-CB 4.49Å; F501-V542 HydrophobicContact CE2-CG2 4Å; F501-V542 HydrophobicContact CZ-CB 3.9Å; F501-V542 HydrophobicContact CZ-CG1 3.76Å; F501-V542 HydrophobicContact CZ-CG2 3.86Å; F501-I544 HydrophobicContact CD1-CD1 4.34Å; F501-Y559 HydrophobicContact CB-CD1 4.33Å; F501-Y559 HydrophobicContact CB-CE1 4.12Å; F501-Y559 AromaticContact CD2-CD2 3.95Å; F501-Y559 HydrophobicContact CD2-CD2 3.95Å; F501-Y559 HydrophobicContact CD2-CE1 4.47Å; F501-Y559 AromaticContact CD2-CE2 3.73Å; F501-Y559 HydrophobicContact CD2-CE2 3.73Å; F501-Y559 HydrophobicContact CD2-CG 4.45Å; F501-Y559 HydrophobicContact CE2-CD2 4.39Å; F501-Y559 HydrophobicContact CE2-CE2 4.32Å
502	P	89.6	Confident	89.9	Confident	94 Å²	94	56.4 Å²	56.4	61%	0.61	32%	0.317	S	S	*	.			trans	-75.6	85.8	-179.2	31.2	-34.6	0	0	0	110.6	R508	P502-R508 PolarHBondContact O-NH1 2.94Å
503	L	90.3	Very high	89.9	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.319	C	S	.	.			trans	-70.1	-39.3	-170.7	-160.4	70.1	0	0	0	112.8	M486 I489 Q490 F501 S505 R508 F539 I544	M486-L503 HydrophobicContact CG-CG 4.05Å; M486-L503 WeakPolarHBondContact CG-O 3.39Å; M486-L503 HydrophobicContact SD-CD1 4.38Å; M486-L503 HydrophobicContact SD-CD2 4.32Å; M486-L503 HydrophobicContact SD-CG 3.88Å; I489-L503 HydrophobicContact CB-CD2 3.98Å; I489-L503 HydrophobicContact CG2-CD2 3.69Å; Q490-L503 HydrophobicContact CB-CB 4.06Å; Q490-L503 HydrophobicContact CB-CD2 4.05Å; Q490-L503 HydrophobicContact CG-CB 3.86Å; F501-L503 HydrophobicContact CD1-CB 4.47Å; F501-L503 HydrophobicContact CD1-CD1 3.93Å; F501-L503 HydrophobicContact CE1-CD1 4.06Å; F501-L503 PolarHBondContact O-N 3.11Å; L503-S505 PolarHBondContact O-N 2.83Å; L503-R508 VanDerWaalsContact C-NH1 3.3Å; L503-R508 PolarHBondContact O-NH1 3.47Å; L503-F539 HydrophobicContact CD1-CD2 4.41Å; L503-F539 HydrophobicContact CD1-CE1 4.34Å; L503-F539 HydrophobicContact CD1-CE2 3.86Å; L503-F539 HydrophobicContact CD1-CZ 3.82Å; L503-F539 HydrophobicContact CD2-CZ 4.13Å; L503-F539 HydrophobicContact CG-CZ 4.4Å; L503-I544 HydrophobicContact CD1-CD1 3.59Å
504	V	90.1	Very high	89.9	Confident	41 Å²	41	57.4 Å²	57.4	25%	0.248	32%	0.322	C	S	.	.			trans	-69.9	104.2	177.5	179	0	0	0	0	111.5	T483 Y487 Q490	T483-V504 HydrophobicContact CG2-CG1 4.21Å; Y487-V504 HydrophobicContact CD2-CG2 4.26Å; Q490-V504 HydrophobicContact CB-CG2 4.47Å; Q490-V504 VanDerWaalsContact OE1-N 3.1Å
505	S	88.7	Confident	89.9	Confident	37 Å²	37	58 Å²	58	26%	0.259	32%	0.323	S	S	.	.			trans	-134.7	144.4	170.3	-179.2	0	0	0	0	110.5	L503 S507 R508	L503-S505 PolarHBondContact O-N 2.83Å; S505-S507 PolarHBondContact O-N 3.18Å; S505-S507 PolarHBondContact OG-N 3.32Å; S505-S507 PolarHBondContact OG-OG 3.41Å; S505-R508 PolarHBondContact O-N 3.42Å
506	A	80	Confident	89.9	Confident	73 Å²	73	56.8 Å²	56.8	60%	0.603	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.2	176.8	0	0	0	0	0	113.8
507	S	86.6	Confident	90	Very high	72 Å²	72	55.3 Å²	55.3	50%	0.503	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	2.6	177.1	63	0	0	0	0	113.8	S505 W509 N540	S505-S507 PolarHBondContact O-N 3.18Å; S505-S507 PolarHBondContact OG-N 3.32Å; S505-S507 PolarHBondContact OG-OG 3.41Å; S507-W509 WeakPolarHBondContact O-CZ3 3.49Å; S507-N540 PolarHBondContact O-ND2 3.22Å
508	R	91.6	Very high	90.1	Very high	21 Å²	21	46.8 Å²	46.8	8%	0.079	27%	0.266	C	S	.	.			trans	-107.9	137.9	-173.6	-167.8	171.5	-66.2	125.1	-0.8	112.2	M486 P502 L503 S505 F539 N540 D541	M486-R508 HydrophobicContact CE-CB 4.44Å; M486-R508 HydrophobicContact CE-CG 4.08Å; M486-R508 HydrophobicContact SD-CB 4.31Å; M486-R508 HydrophobicContact SD-CG 3.75Å; P502-R508 PolarHBondContact O-NH1 2.94Å; L503-R508 VanDerWaalsContact C-NH1 3.3Å; L503-R508 PolarHBondContact O-NH1 3.47Å; S505-R508 PolarHBondContact O-N 3.42Å; R508-F539 HydrophobicContact CG-CB 3.92Å; R508-F539 HydrophobicContact CG-CD1 4.01Å; R508-F539 HydrophobicContact CG-CG 4.18Å; R508-N540 VanDerWaalsContact CA-OD1 3.27Å; R508-N540 WeakPolarHBondContact CA-OD1 3.36Å; R508-D541 WeakPolarHBondContact CD-OD1 3.4Å; R508-D541 IonicContact CZ-OD1 3.89Å; R508-D541 IonicContact CZ-OD2 2.77Å; R508-D541 VanDerWaalsContact CZ-OD2 3.26Å; R508-D541 VanDerWaalsContact NE-CG 3.33Å; R508-D541 IonicContact NE-OD1 2.67Å; R508-D541 PolarHBondContact NE-OD1 3.05Å; R508-D541 IonicContact NE-OD2 3.15Å; R508-D541 PolarHBondContact NE-OD2 2.9Å; R508-D541 VanDerWaalsContact NE-OD2 3.08Å; R508-D541 IonicContact NH2-OD1 3.54Å; R508-D541 IonicContact NH2-OD2 2.72Å; R508-D541 PolarHBondContact NH2-OD2 3.39Å
509	W	90.6	Very high	89.4	Confident	77 Å²	77	46.8 Å²	46.8	29%	0.292	27%	0.268	S	S	.	.			trans	-142.6	155.8	169.5	64.6	94.2	0	0	0	110.5	R482 S507 F539 N540	R482-W509 HydrophobicContact CB-CB 4.22Å; R482-W509 HydrophobicContact CG-CB 3.79Å; S507-W509 WeakPolarHBondContact O-CZ3 3.49Å; W509-F539 CarbonylContact O-C 3.58Å; W509-F539 WeakPolarHBondContact O-CA 3.43Å; W509-F539 WeakPolarHBondContact O-CB 3.24Å; W509-N540 HydrophobicContact CD2-CB 3.9Å; W509-N540 HydrophobicContact CE3-CB 4.21Å; W509-N540 HydrophobicContact CH2-CB 3.95Å; W509-N540 HydrophobicContact CZ2-CB 3.6Å; W509-N540 HydrophobicContact CZ3-CB 4.24Å; W509-N540 VanDerWaalsContact CZ3-ND2 3.25Å; W509-N540 WeakPolarHBondContact CZ3-ND2 3.45Å; W509-N540 PolarHBondContact N-OD1 3.47Å; W509-N540 PolarHBondContact O-N 3.32Å; W509-N540 VanDerWaalsContact O-N 3.13Å; W509-N540 PolarHBondContact O-OD1 2.83Å
510	L	92.7	Very high	88.1	Confident	6 Å²	6	43.2 Å²	43.2	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	125	174.8	-171.2	73	0	0	0	109.2	I489 K512 R513 F537 L538 F539 P650	I489-L510 HydrophobicContact CD1-CD1 4.42Å; I489-L510 HydrophobicContact CD1-CD2 4.18Å; L510-K512 WeakPolarHBondContact CD1-O 3.49Å; L510-R513 HydrophobicContact CD1-CB 4.43Å; L510-R513 HydrophobicContact CD2-CB 4.13Å; L510-R513 HydrophobicContact CD2-CG 3.99Å; L510-F537 HydrophobicContact CD1-CB 4.19Å; L510-F537 HydrophobicContact CD1-CD1 4.18Å; L510-L538 WeakPolarHBondContact CD1-O 3.44Å; L510-F539 HydrophobicContact CB-CD1 4.2Å; L510-F539 HydrophobicContact CB-CE1 4.22Å; L510-F539 HydrophobicContact CD1-CD1 3.9Å; L510-F539 HydrophobicContact CD1-CE1 3.58Å; L510-F539 HydrophobicContact CD1-CE2 4.41Å; L510-F539 HydrophobicContact CD1-CG 4.43Å; L510-F539 HydrophobicContact CD1-CZ 3.88Å; L510-P650 HydrophobicContact CD2-CG 3.85Å; L510-P650 HydrophobicContact CG-CG 4.28Å; L510-P650 WeakPolarHBondContact O-CB 3.35Å
511	K	91.6	Very high	86.5	Confident	16 Å²	16	46.2 Å²	46.2	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-42.8	169.7	-79.2	-161.1	173	-161.8	0	112	L538 E623 E627 P650 D651	K511-L538 WeakPolarHBondContact CA-O 3.47Å; K511-L538 HydrophobicContact CB-CG 4.26Å; K511-L538 PolarHBondContact N-O 3.17Å; K511-E623 IonicContact NZ-OE2 2.8Å; K511-E623 PolarHBondContact NZ-OE2 2.85Å; K511-E627 WeakPolarHBondContact CE-OE1 3.45Å; K511-E627 IonicContact NZ-OE1 2.66Å; K511-E627 PolarHBondContact NZ-OE1 2.83Å; K511-P650 CarbonylContact O-C 3.5Å; K511-D651 PolarHBondContact O-N 3.39Å
512	K	93.1	Very high	84.7	Confident	5 Å²	5	51.1 Å²	51.1	2%	0.022	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	154.9	176.1	-167.2	171.6	171.4	68.1	0	111.3	L510 L538 D613 R616 W617 A620 D651	L510-K512 WeakPolarHBondContact CD1-O 3.49Å; K512-L538 HydrophobicContact CB-CB 4.39Å; K512-L538 HydrophobicContact CB-CD2 4.35Å; K512-L538 PolarHBondContact N-O 2.88Å; K512-L538 WeakPolarHBondContact O-CB 3.46Å; K512-L538 PolarHBondContact O-N 2.91Å; K512-D613 VanDerWaalsContact CE-OD1 3.28Å; K512-D613 WeakPolarHBondContact CE-OD1 3.46Å; K512-D613 IonicContact NZ-OD1 3.82Å; K512-D613 PolarHBondContact NZ-OD1 2.59Å; K512-R616 HydrophobicContact CD-CB 4.44Å; K512-W617 HydrophobicContact CB-CE3 4.5Å; K512-W617 HydrophobicContact CB-CH2 4.3Å; K512-W617 HydrophobicContact CB-CZ3 4.07Å; K512-W617 HydrophobicContact CD-CD2 3.66Å; K512-W617 HydrophobicContact CD-CE3 3.76Å; K512-W617 HydrophobicContact CD-CG 4.12Å; K512-W617 HydrophobicContact CD-CH2 4.25Å; K512-W617 HydrophobicContact CD-CZ2 4.17Å; K512-W617 HydrophobicContact CD-CZ3 4.05Å; K512-W617 VanDerWaalsContact CE-CD2 3.43Å; K512-W617 VanDerWaalsContact CE-NE1 3.35Å; K512-W617 HydrophobicContact CG-CD2 4.4Å; K512-W617 HydrophobicContact CG-CE3 4.24Å; K512-W617 HydrophobicContact CG-CH2 3.92Å; K512-W617 HydrophobicContact CG-CZ2 4.09Å; K512-W617 HydrophobicContact CG-CZ3 4Å; K512-A620 HydrophobicContact CB-CB 4.41Å; K512-A620 HydrophobicContact CD-CB 4.49Å; K512-D651 HydrophobicContact CB-CB 4.43Å; K512-D651 HydrophobicContact CD-CB 4.46Å; K512-D651 VanDerWaalsContact CD-OD2 3.31Å; K512-D651 WeakPolarHBondContact CD-OD2 3.49Å; K512-D651 WeakPolarHBondContact CE-OD2 3.21Å; K512-D651 HydrophobicContact CG-CB 4.44Å; K512-D651 IonicContact NZ-OD1 3.72Å; K512-D651 IonicContact NZ-OD2 3.36Å; K512-D651 PolarHBondContact NZ-OD2 2.91Å
513	R	94.4	Very high	82.6	Confident	69 Å²	69	51.2 Å²	51.2	26%	0.26	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160.4	164.6	64.9	177.3	172.2	-136.1	-17.7	110	L510 Y535 L536 F537	L510-R513 HydrophobicContact CD1-CB 4.43Å; L510-R513 HydrophobicContact CD2-CB 4.13Å; L510-R513 HydrophobicContact CD2-CG 3.99Å; R513-Y535 HydrophobicContact CB-CE1 4.01Å; R513-Y535 WeakPolarHBondContact CD-OH 3.25Å; R513-Y535 HydrophobicContact CG-CE1 4.45Å; R513-L536 WeakPolarHBondContact CA-O 3.11Å; R513-L536 WeakPolarHBondContact CB-O 3.31Å; R513-F537 HydrophobicContact CB-CD1 4.1Å
514	G	93.2	Very high	80.3	Confident	15 Å²	15	55.8 Å²	55.8	16%	0.155	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.8	174.8	176.2	0	0	0	0	0	112.8	Y535 L536	G514-Y535 CarbonylContact O-C 3.46Å; G514-Y535 WeakPolarHBondContact O-CA 3.48Å; G514-L536 PolarHBondContact N-O 3.16Å; G514-L536 PolarHBondContact O-N 2.91Å
515	E	93.3	Very high	78.2	Confident	74 Å²	74	61.1 Å²	61.1	35%	0.346	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.7	178.6	-157.7	158.7	159	0	0	109.3	S533 H534 Y535 K548	E515-S533 VanDerWaalsContact OE1-CB 3.3Å; E515-S533 WeakPolarHBondContact OE1-CB 3.48Å; E515-S533 PolarHBondContact OE1-OG 2.71Å; E515-H534 WeakPolarHBondContact CA-O 3.45Å; E515-Y535 HydrophobicContact CB-CD2 3.78Å; E515-Y535 HydrophobicContact CB-CE2 4.25Å; E515-Y535 HydrophobicContact CG-CD2 4.21Å; E515-K548 WeakPolarHBondContact OE2-CD 3.46Å; E515-K548 IonicContact OE2-NZ 2.68Å; E515-K548 PolarHBondContact OE2-NZ 2.95Å
516	L	92.6	Very high	76	Confident	2 Å²	2	71.2 Å²	71.2	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	137.9	178.6	-71.5	175.6	0	0	0	109.5	S533 H534 L536 F589 L606 A608 W617	L516-S533 CarbonylContact O-C 3.53Å; L516-S533 WeakPolarHBondContact O-CA 3.47Å; L516-H534 PolarHBondContact N-O 3.09Å; L516-H534 PolarHBondContact O-N 2.72Å; L516-L536 HydrophobicContact CD1-CD1 3.8Å; L516-L536 HydrophobicContact CD1-CG 4.44Å; L516-F589 HydrophobicContact CD1-CE1 4.12Å; L516-F589 HydrophobicContact CD1-CZ 3.74Å; L516-L606 HydrophobicContact CB-CD2 4.15Å; L516-L606 HydrophobicContact CD1-CB 4.28Å; L516-L606 HydrophobicContact CD1-CD1 3.97Å; L516-A608 HydrophobicContact CD2-CB 3.66Å; L516-W617 HydrophobicContact CD1-CD2 4.06Å; L516-W617 HydrophobicContact CD1-CG 4.18Å; L516-W617 HydrophobicContact CD1-CZ2 4.39Å
517	A	90.3	Very high	74.4	Confident	33 Å²	33	74.3 Å²	74.3	27%	0.273	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	150	175	0	0	0	0	0	110.9	L606 V607	A517-L606 CarbonylContact O-C 3.54Å; A517-L606 WeakPolarHBondContact O-CA 3.23Å; A517-V607 HydrophobicContact CB-CB 4.34Å; A517-V607 PolarHBondContact N-O 3.49Å; A517-V607 PolarHBondContact O-N 3.35Å
518	V	87.1	Confident	72.2	Confident	36 Å²	36	74.1 Å²	74.1	22%	0.218	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.9	177.3	-178.8	0	0	0	0	109.9	S520 R532 H534 S605 L606	V518-S520 PolarHBondContact O-N 2.93Å; V518-R532 HydrophobicContact CB-CB 4.32Å; V518-R532 WeakPolarHBondContact CB-O 3.44Å; V518-R532 HydrophobicContact CG2-CB 4.36Å; V518-R532 WeakPolarHBondContact CG2-O 3.49Å; V518-R532 PolarHBondContact N-O 3.38Å; V518-H534 VanDerWaalsContact CG2-ND1 3.33Å; V518-H534 WeakPolarHBondContact CG2-ND1 3.47Å; V518-S605 WeakPolarHBondContact CA-O 3.14Å; V518-L606 HydrophobicContact CG2-CD2 4.4Å
519	S	77.3	Confident	69.8	Low	32 Å²	32	82.7 Å²	82.7	22%	0.224	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-71.3	119.3	172.4	-171.2	0	0	0	0	110.1	E521 S605	S519-E521 PolarHBondContact O-N 3.3Å; S519-S605 PolarHBondContact N-O 2.91Å
520	S	61.1	Low	67.9	Low	77 Å²	77	82.7 Å²	82.7	54%	0.538	42%	0.422	S	S	.	.			trans	-93.6	53.3	-173.2	-176.2	0	0	0	0	112.9	V518	V518-S520 PolarHBondContact O-N 2.93Å
521	E	54.4	Low	66.1	Low	162 Å²	162	89.8 Å²	89.8	76%	0.757	46%	0.46	S	S	*	.	S	Bend	trans	-91.7	-23.8	176.7	-69	-179.3	126	0	0	113.6	S519	S519-E521 PolarHBondContact O-N 3.3Å
522	E	49.4	Very low	65.3	Low	131 Å²	131	94.7 Å²	94.7	61%	0.612	48%	0.478	S	S	*	.	S	Bend	trans	-114.4	12.2	-164.8	-157.5	157.2	-153.3	0	0	114.4
523	L	46.1	Very low	65.1	Low	96 Å²	96	96.4 Å²	96.4	50%	0.503	49%	0.491	S	S	.	.	S	Bend	trans	-124.3	137.7	172.7	-77.8	100.8	0	0	0	112.9
524	S	42.5	Very low	65	Low	96 Å²	96	94.6 Å²	94.6	67%	0.671	49%	0.485	S	S	*	.			trans	-55.4	151.6	-168.3	-40.1	0	0	0	0	114.8	W526 R527	S524-W526 PolarHBondContact O-N 3.35Å; S524-R527 PolarHBondContact O-N 2.79Å; S524-R527 VanDerWaalsContact O-N 3.12Å
525	I	45.8	Very low	65.1	Low	154 Å²	154	95.6 Å²	95.6	79%	0.79	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-38.3	-28.1	-172.6	-61.9	166.6	0	0	0	115.8	R527	I525-R527 VanDerWaalsContact C-N 3.34Å; I525-R527 PolarHBondContact O-N 2.67Å
526	W	42.2	Very low	65.2	Low	248 Å²	248	92 Å²	92	94%	0.939	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-81.1	6	-178	-62.7	93	0	0	0	116.1	S524	S524-W526 PolarHBondContact O-N 3.35Å
527	R	45.9	Very low	65.4	Low	139 Å²	139	92 Å²	92	53%	0.525	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-116.6	0.9	179.7	-70.5	-176.1	176.8	-179.6	1.8	115.9	S524 I525 F529	S524-R527 PolarHBondContact O-N 2.79Å; S524-R527 VanDerWaalsContact O-N 3.12Å; I525-R527 VanDerWaalsContact C-N 3.34Å; I525-R527 PolarHBondContact O-N 2.67Å; R527-F529 VanDerWaalsContact C-N 3.26Å; R527-F529 PolarHBondContact O-N 3.36Å
528	A	42	Very low	65.6	Low	68 Å²	68	90.5 Å²	90.5	56%	0.562	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-0.7	-166.3	0	0	0	0	0	117.5
529	F	40.3	Very low	66	Low	200 Å²	200	88.8 Å²	88.8	88%	0.877	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	8.1	-172.5	-65.5	-72	0	0	0	115.5	R527	R527-F529 VanDerWaalsContact C-N 3.26Å; R527-F529 PolarHBondContact O-N 3.36Å
530	T	49.8	Very low	66.7	Low	77 Å²	77	88.2 Å²	88.2	47%	0.472	44%	0.439	S	S	.	.			trans	-113.7	116.4	171	55.4	0	0	0	0	109.6	R532	T530-R532 PolarHBondContact O-N 2.99Å; T530-R532 WeakPolarHBondContact OG1-CG 3.34Å; T530-R532 PolarHBondContact OG1-NE 2.92Å
531	N	55.3	Low	68.2	Low	156 Å²	156	86.8 Å²	86.8	83%	0.834	43%	0.425	S	S	*	.			trans	-67.2	104.3	164.4	-168.6	9.8	0	0	0	107.5
532	R	76.4	Confident	70.1	Confident	118 Å²	118	79 Å²	79	45%	0.445	39%	0.389	S	S	.	.			trans	-97.3	112.8	-174.4	-68.2	-175.4	-175.1	-155.9	-0.3	109.3	V518 T530	V518-R532 HydrophobicContact CB-CB 4.32Å; V518-R532 WeakPolarHBondContact CB-O 3.44Å; V518-R532 HydrophobicContact CG2-CB 4.36Å; V518-R532 WeakPolarHBondContact CG2-O 3.49Å; V518-R532 PolarHBondContact N-O 3.38Å; T530-R532 PolarHBondContact O-N 2.99Å; T530-R532 WeakPolarHBondContact OG1-CG 3.34Å; T530-R532 PolarHBondContact OG1-NE 2.92Å
533	S	88.4	Confident	72.3	Confident	42 Å²	42	72.8 Å²	72.8	29%	0.294	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	147.1	159.2	53.7	0	0	0	0	110.9	E515 L516	E515-S533 VanDerWaalsContact OE1-CB 3.3Å; E515-S533 WeakPolarHBondContact OE1-CB 3.48Å; E515-S533 PolarHBondContact OE1-OG 2.71Å; L516-S533 CarbonylContact O-C 3.53Å; L516-S533 WeakPolarHBondContact O-CA 3.47Å
534	H	92.7	Very high	74.6	Confident	31 Å²	31	68.2 Å²	68.2	14%	0.144	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	144.1	159.4	-70.4	141	0	0	0	108.7	E515 L516 V518 L536 V545 T546 L557	E515-H534 WeakPolarHBondContact CA-O 3.45Å; L516-H534 PolarHBondContact N-O 3.09Å; L516-H534 PolarHBondContact O-N 2.72Å; V518-H534 VanDerWaalsContact CG2-ND1 3.33Å; V518-H534 WeakPolarHBondContact CG2-ND1 3.47Å; H534-L536 HydrophobicContact CB-CD2 4.35Å; H534-V545 HydrophobicContact CB-CG1 4.19Å; H534-T546 WeakPolarHBondContact CA-O 3.42Å; H534-L557 VanDerWaalsContact CD2-CD1 3.48Å; H534-L557 WeakPolarHBondContact CD2-CD1 3.46Å; H534-L557 WeakPolarHBondContact NE2-CD1 3.35Å
535	Y	94.3	Very high	77.1	Confident	35 Å²	35	63.8 Å²	63.8	14%	0.137	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.2	168.6	-163.5	-80.2	0	0	0	108	R513 G514 E515 F537 T546 K548 F554	R513-Y535 HydrophobicContact CB-CE1 4.01Å; R513-Y535 WeakPolarHBondContact CD-OH 3.25Å; R513-Y535 HydrophobicContact CG-CE1 4.45Å; G514-Y535 CarbonylContact O-C 3.46Å; G514-Y535 WeakPolarHBondContact O-CA 3.48Å; E515-Y535 HydrophobicContact CB-CD2 3.78Å; E515-Y535 HydrophobicContact CB-CE2 4.25Å; E515-Y535 HydrophobicContact CG-CD2 4.21Å; Y535-F537 AromaticContact CD1-CD2 3.96Å; Y535-F537 HydrophobicContact CD1-CD2 3.96Å; Y535-F537 AromaticContact CD1-CE2 3.44Å; Y535-F537 HydrophobicContact CD1-CE2 3.44Å; Y535-F537 VanDerWaalsContact CD1-CE2 3.44Å; Y535-F537 AromaticContact CD1-CZ 3.79Å; Y535-F537 HydrophobicContact CD1-CZ 3.79Å; Y535-F537 HydrophobicContact CE1-CD2 4.28Å; Y535-F537 HydrophobicContact CE1-CE1 4.04Å; Y535-F537 AromaticContact CE1-CE2 3.75Å; Y535-F537 HydrophobicContact CE1-CE2 3.75Å; Y535-F537 AromaticContact CE1-CZ 3.61Å; Y535-F537 HydrophobicContact CE1-CZ 3.61Å; Y535-T546 PolarHBondContact N-O 3.2Å; Y535-T546 WeakPolarHBondContact O-CA 3.2Å; Y535-T546 WeakPolarHBondContact O-CB 3.26Å; Y535-T546 PolarHBondContact O-N 2.78Å; Y535-T546 PolarHBondContact O-OG1 2.92Å; Y535-K548 HydrophobicContact CD2-CD 4.24Å; Y535-F554 AromaticContact CD1-CD1 3.82Å; Y535-F554 HydrophobicContact CD1-CD1 3.82Å; Y535-F554 AromaticContact CD1-CE1 3.43Å; Y535-F554 HydrophobicContact CD1-CE1 3.43Å; Y535-F554 VanDerWaalsContact CD1-CE1 3.43Å; Y535-F554 HydrophobicContact CD1-CZ 4.27Å; Y535-F554 HydrophobicContact CD2-CE1 4.03Å; Y535-F554 AromaticContact CE1-CE1 3.78Å; Y535-F554 HydrophobicContact CE1-CE1 3.78Å; Y535-F554 HydrophobicContact CE1-CZ 4.18Å; Y535-F554 HydrophobicContact CE2-CE1 4.36Å; Y535-F554 AromaticContact CG-CD1 3.99Å; Y535-F554 HydrophobicContact CG-CD1 3.99Å; Y535-F554 AromaticContact CG-CE1 3.56Å; Y535-F554 HydrophobicContact CG-CE1 3.56Å
536	L	95.6	Very high	79.5	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	143.2	-176.2	-62.2	-169.7	0	0	0	110.9	R513 G514 L516 H534 L543 V545 L606 W617	R513-L536 WeakPolarHBondContact CA-O 3.11Å; R513-L536 WeakPolarHBondContact CB-O 3.31Å; G514-L536 PolarHBondContact N-O 3.16Å; G514-L536 PolarHBondContact O-N 2.91Å; L516-L536 HydrophobicContact CD1-CD1 3.8Å; L516-L536 HydrophobicContact CD1-CG 4.44Å; H534-L536 HydrophobicContact CB-CD2 4.35Å; L536-L543 HydrophobicContact CB-CD1 4.29Å; L536-L543 HydrophobicContact CD1-CD1 4.36Å; L536-V545 HydrophobicContact CD2-CB 4.1Å; L536-V545 HydrophobicContact CD2-CG1 3.96Å; L536-V545 HydrophobicContact CD2-CG2 3.89Å; L536-L606 HydrophobicContact CD1-CD1 3.94Å; L536-W617 HydrophobicContact CB-CH2 3.57Å; L536-W617 HydrophobicContact CB-CZ2 4.3Å; L536-W617 HydrophobicContact CB-CZ3 3.96Å; L536-W617 HydrophobicContact CD1-CE3 4.44Å; L536-W617 HydrophobicContact CD1-CH2 4.33Å; L536-W617 HydrophobicContact CD1-CZ3 4.13Å; L536-W617 HydrophobicContact CG-CH2 4.47Å
537	F	95.9	Very high	81.8	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.5	164.8	-65	-100.4	0	0	0	108.5	I489 M493 L510 R513 Y535 F539 I544 T546 F554	I489-F537 HydrophobicContact CD1-CD1 4.4Å; I489-F537 HydrophobicContact CG1-CE1 4.34Å; I489-F537 HydrophobicContact CG2-CD1 3.9Å; I489-F537 HydrophobicContact CG2-CE1 3.8Å; I489-F537 HydrophobicContact CG2-CZ 4.41Å; M493-F537 HydrophobicContact CE-CB 4.26Å; M493-F537 HydrophobicContact CE-CD1 4.18Å; M493-F537 HydrophobicContact CE-CD2 3.38Å; M493-F537 HydrophobicContact CE-CE1 4.33Å; M493-F537 HydrophobicContact CE-CE2 3.54Å; M493-F537 HydrophobicContact CE-CG 3.71Å; M493-F537 HydrophobicContact CE-CZ 4.03Å; L510-F537 HydrophobicContact CD1-CB 4.19Å; L510-F537 HydrophobicContact CD1-CD1 4.18Å; R513-F537 HydrophobicContact CB-CD1 4.1Å; Y535-F537 AromaticContact CD1-CD2 3.96Å; Y535-F537 HydrophobicContact CD1-CD2 3.96Å; Y535-F537 AromaticContact CD1-CE2 3.44Å; Y535-F537 HydrophobicContact CD1-CE2 3.44Å; Y535-F537 VanDerWaalsContact CD1-CE2 3.44Å; Y535-F537 AromaticContact CD1-CZ 3.79Å; Y535-F537 HydrophobicContact CD1-CZ 3.79Å; Y535-F537 HydrophobicContact CE1-CD2 4.28Å; Y535-F537 HydrophobicContact CE1-CE1 4.04Å; Y535-F537 AromaticContact CE1-CE2 3.75Å; Y535-F537 HydrophobicContact CE1-CE2 3.75Å; Y535-F537 AromaticContact CE1-CZ 3.61Å; Y535-F537 HydrophobicContact CE1-CZ 3.61Å; F537-F539 HydrophobicContact CB-CD2 4.43Å; F537-F539 HydrophobicContact CB-CE2 3.51Å; F537-F539 HydrophobicContact CB-CZ 3.79Å; F537-F539 HydrophobicContact CD1-CZ 4.45Å; F537-F539 HydrophobicContact CG-CZ 4.49Å; F537-I544 HydrophobicContact CB-CB 4.47Å; F537-I544 PolarHBondContact N-O 3.15Å; F537-I544 PolarHBondContact O-N 3.25Å; F537-T546 HydrophobicContact CD2-CG2 3.92Å; F537-T546 HydrophobicContact CE2-CG2 4.06Å; F537-F554 HydrophobicContact CE2-CB 4.27Å; F537-F554 AromaticContact CE2-CD1 3.79Å; F537-F554 HydrophobicContact CE2-CD1 3.79Å; F537-F554 HydrophobicContact CE2-CD2 4.16Å; F537-F554 HydrophobicContact CE2-CE1 4.16Å; F537-F554 AromaticContact CE2-CG 3.8Å; F537-F554 HydrophobicContact CE2-CG 3.8Å; F537-F554 HydrophobicContact CZ-CD1 4.03Å; F537-F554 AromaticContact CZ-CD2 3.81Å; F537-F554 HydrophobicContact CZ-CD2 3.81Å; F537-F554 HydrophobicContact CZ-CE1 4.03Å; F537-F554 AromaticContact CZ-CE2 3.83Å; F537-F554 HydrophobicContact CZ-CE2 3.83Å; F537-F554 AromaticContact CZ-CG 3.93Å; F537-F554 HydrophobicContact CZ-CG 3.93Å; F537-F554 AromaticContact CZ-CZ 3.94Å; F537-F554 HydrophobicContact CZ-CZ 3.94Å
538	L	95.6	Very high	84	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112.1	178.8	174.2	58.4	0	0	0	108.9	L510 K511 K512 L543 L562 W617 A620 L621	L510-L538 WeakPolarHBondContact CD1-O 3.44Å; K511-L538 WeakPolarHBondContact CA-O 3.47Å; K511-L538 HydrophobicContact CB-CG 4.26Å; K511-L538 PolarHBondContact N-O 3.17Å; K512-L538 HydrophobicContact CB-CB 4.39Å; K512-L538 HydrophobicContact CB-CD2 4.35Å; K512-L538 PolarHBondContact N-O 2.88Å; K512-L538 WeakPolarHBondContact O-CB 3.46Å; K512-L538 PolarHBondContact O-N 2.91Å; L538-L543 HydrophobicContact CB-CD1 4.03Å; L538-L543 HydrophobicContact CD1-CB 4.35Å; L538-L543 HydrophobicContact CD1-CD1 4.24Å; L538-L562 HydrophobicContact CD1-CD1 3.93Å; L538-L562 HydrophobicContact CD1-CD2 3.55Å; L538-L562 HydrophobicContact CD1-CG 4.37Å; L538-W617 HydrophobicContact CB-CZ3 4.03Å; L538-W617 HydrophobicContact CD2-CE3 4.45Å; L538-W617 HydrophobicContact CD2-CZ3 4.32Å; L538-A620 HydrophobicContact CD2-CB 3.62Å; L538-L621 HydrophobicContact CD1-CD2 3.79Å; L538-L621 HydrophobicContact CD2-CD2 3.72Å; L538-L621 HydrophobicContact CD2-CG 3.88Å; L538-L621 HydrophobicContact CG-CD2 4.35Å
539	F	94.8	Very high	86.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-178.2	173.1	-55.2	-87.4	0	0	0	109.8	M486 I489 L503 R508 W509 L510 F537 D541 V542 I544 L562	M486-F539 HydrophobicContact CE-CD1 3.84Å; M486-F539 HydrophobicContact CE-CE1 3.86Å; M486-F539 HydrophobicContact SD-CD1 3.55Å; M486-F539 VanDerWaalsContact SD-CD1 3.55Å; M486-F539 HydrophobicContact SD-CE1 3.31Å; M486-F539 WeakPolarHBondContact SD-CE1 3.47Å; M486-F539 HydrophobicContact SD-CZ 4.26Å; I489-F539 HydrophobicContact CD1-CE1 4.06Å; I489-F539 HydrophobicContact CD1-CZ 4.33Å; I489-F539 HydrophobicContact CG2-CZ 4.26Å; L503-F539 HydrophobicContact CD1-CD2 4.41Å; L503-F539 HydrophobicContact CD1-CE1 4.34Å; L503-F539 HydrophobicContact CD1-CE2 3.86Å; L503-F539 HydrophobicContact CD1-CZ 3.82Å; L503-F539 HydrophobicContact CD2-CZ 4.13Å; L503-F539 HydrophobicContact CG-CZ 4.4Å; R508-F539 HydrophobicContact CG-CB 3.92Å; R508-F539 HydrophobicContact CG-CD1 4.01Å; R508-F539 HydrophobicContact CG-CG 4.18Å; W509-F539 CarbonylContact O-C 3.58Å; W509-F539 WeakPolarHBondContact O-CA 3.43Å; W509-F539 WeakPolarHBondContact O-CB 3.24Å; L510-F539 HydrophobicContact CB-CD1 4.2Å; L510-F539 HydrophobicContact CB-CE1 4.22Å; L510-F539 HydrophobicContact CD1-CD1 3.9Å; L510-F539 HydrophobicContact CD1-CE1 3.58Å; L510-F539 HydrophobicContact CD1-CE2 4.41Å; L510-F539 HydrophobicContact CD1-CG 4.43Å; L510-F539 HydrophobicContact CD1-CZ 3.88Å; F537-F539 HydrophobicContact CB-CD2 4.43Å; F537-F539 HydrophobicContact CB-CE2 3.51Å; F537-F539 HydrophobicContact CB-CZ 3.79Å; F537-F539 HydrophobicContact CD1-CZ 4.45Å; F537-F539 HydrophobicContact CG-CZ 4.49Å; F539-D541 VanDerWaalsContact C-N 3.32Å; F539-V542 HydrophobicContact CB-CG1 4.01Å; F539-V542 WeakPolarHBondContact CB-O 3.46Å; F539-V542 HydrophobicContact CD2-CG1 3.66Å; F539-V542 WeakPolarHBondContact CD2-O 3.38Å; F539-V542 HydrophobicContact CG-CG1 4.12Å; F539-V542 PolarHBondContact N-O 2.99Å; F539-I544 HydrophobicContact CD2-CD1 4.49Å; F539-I544 HydrophobicContact CD2-CG1 4.42Å; F539-I544 HydrophobicContact CE2-CD1 3.87Å; F539-I544 HydrophobicContact CE2-CG1 4.06Å; F539-L562 WeakPolarHBondContact O-CD1 3.45Å
540	N	92.1	Very high	88.5	Confident	21 Å²	21	44.5 Å²	44.5	11%	0.112	22%	0.22	C	C	.	.	S	Bend	trans	-74.6	-16.8	176.3	62.4	-64	0	0	0	114.5	S507 R508 W509	S507-N540 PolarHBondContact O-ND2 3.22Å; R508-N540 VanDerWaalsContact CA-OD1 3.27Å; R508-N540 WeakPolarHBondContact CA-OD1 3.36Å; W509-N540 HydrophobicContact CD2-CB 3.9Å; W509-N540 HydrophobicContact CE3-CB 4.21Å; W509-N540 HydrophobicContact CH2-CB 3.95Å; W509-N540 HydrophobicContact CZ2-CB 3.6Å; W509-N540 HydrophobicContact CZ3-CB 4.24Å; W509-N540 VanDerWaalsContact CZ3-ND2 3.25Å; W509-N540 WeakPolarHBondContact CZ3-ND2 3.45Å; W509-N540 PolarHBondContact N-OD1 3.47Å; W509-N540 PolarHBondContact O-N 3.32Å; W509-N540 VanDerWaalsContact O-N 3.13Å; W509-N540 PolarHBondContact O-OD1 2.83Å
541	D	92.2	Very high	90.2	Very high	46 Å²	46	48.8 Å²	48.8	25%	0.246	24%	0.235	C	C	.	.	S	Bend	trans	-127.3	-17.7	-176.8	68.2	-28.4	0	0	0	114.5	R508 F539 T561 L562	R508-D541 WeakPolarHBondContact CD-OD1 3.4Å; R508-D541 IonicContact CZ-OD1 3.89Å; R508-D541 IonicContact CZ-OD2 2.77Å; R508-D541 VanDerWaalsContact CZ-OD2 3.26Å; R508-D541 VanDerWaalsContact NE-CG 3.33Å; R508-D541 IonicContact NE-OD1 2.67Å; R508-D541 PolarHBondContact NE-OD1 3.05Å; R508-D541 IonicContact NE-OD2 3.15Å; R508-D541 PolarHBondContact NE-OD2 2.9Å; R508-D541 VanDerWaalsContact NE-OD2 3.08Å; R508-D541 IonicContact NH2-OD1 3.54Å; R508-D541 IonicContact NH2-OD2 2.72Å; R508-D541 PolarHBondContact NH2-OD2 3.39Å; F539-D541 VanDerWaalsContact C-N 3.32Å; D541-T561 VanDerWaalsContact O-CA 3.31Å; D541-T561 WeakPolarHBondContact O-CA 3.19Å; D541-L562 PolarHBondContact O-N 3.08Å
542	V	94.3	Very high	91.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.3	-177.2	70.1	0	0	0	0	111.8	F501 F539 I544 Y559 A560	F501-V542 HydrophobicContact CE1-CB 4.4Å; F501-V542 HydrophobicContact CE1-CG1 3.76Å; F501-V542 HydrophobicContact CE1-CG2 4.39Å; F501-V542 HydrophobicContact CE2-CB 4.49Å; F501-V542 HydrophobicContact CE2-CG2 4Å; F501-V542 HydrophobicContact CZ-CB 3.9Å; F501-V542 HydrophobicContact CZ-CG1 3.76Å; F501-V542 HydrophobicContact CZ-CG2 3.86Å; F539-V542 HydrophobicContact CB-CG1 4.01Å; F539-V542 WeakPolarHBondContact CB-O 3.46Å; F539-V542 HydrophobicContact CD2-CG1 3.66Å; F539-V542 WeakPolarHBondContact CD2-O 3.38Å; F539-V542 HydrophobicContact CG-CG1 4.12Å; F539-V542 PolarHBondContact N-O 2.99Å; V542-I544 HydrophobicContact CG1-CG1 4.35Å; V542-I544 HydrophobicContact CG2-CG1 4.26Å; V542-Y559 HydrophobicContact CG2-CD2 4.3Å; V542-A560 WeakPolarHBondContact CA-O 3.36Å; V542-A560 VanDerWaalsContact CG2-O 3.31Å; V542-A560 WeakPolarHBondContact CG2-O 3.29Å
543	L	95.8	Very high	92.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.1	165	175.1	62	0	0	0	108.7	L536 L538 Y559 A560 L562 V565 L591 L621	L536-L543 HydrophobicContact CB-CD1 4.29Å; L536-L543 HydrophobicContact CD1-CD1 4.36Å; L538-L543 HydrophobicContact CB-CD1 4.03Å; L538-L543 HydrophobicContact CD1-CB 4.35Å; L538-L543 HydrophobicContact CD1-CD1 4.24Å; L543-Y559 CarbonylContact O-C 3.47Å; L543-Y559 WeakPolarHBondContact O-CA 3.36Å; L543-Y559 WeakPolarHBondContact O-CB 3.43Å; L543-A560 PolarHBondContact N-O 2.97Å; L543-A560 PolarHBondContact O-N 3.41Å; L543-L562 HydrophobicContact CB-CD2 3.8Å; L543-V565 HydrophobicContact CB-CG2 4.25Å; L543-V565 HydrophobicContact CD2-CG1 4.33Å; L543-V565 HydrophobicContact CD2-CG2 4.32Å; L543-L591 HydrophobicContact CD2-CD1 3.73Å; L543-L591 HydrophobicContact CD2-CD2 3.69Å; L543-L591 HydrophobicContact CD2-CG 4.31Å; L543-L621 HydrophobicContact CD2-CD2 4.03Å
544	I	95.5	Very high	92.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.8	175.4	-52.9	-173.6	0	0	0	109.1	M493 F501 L503 F537 F539 V542 T546 V556	M493-I544 HydrophobicContact CE-CG2 4.31Å; F501-I544 HydrophobicContact CD1-CD1 4.34Å; L503-I544 HydrophobicContact CD1-CD1 3.59Å; F537-I544 HydrophobicContact CB-CB 4.47Å; F537-I544 PolarHBondContact N-O 3.15Å; F537-I544 PolarHBondContact O-N 3.25Å; F539-I544 HydrophobicContact CD2-CD1 4.49Å; F539-I544 HydrophobicContact CD2-CG1 4.42Å; F539-I544 HydrophobicContact CE2-CD1 3.87Å; F539-I544 HydrophobicContact CE2-CG1 4.06Å; V542-I544 HydrophobicContact CG1-CG1 4.35Å; V542-I544 HydrophobicContact CG2-CG1 4.26Å; I544-T546 HydrophobicContact CG2-CG2 3.81Å; I544-V556 HydrophobicContact CG2-CG1 3.9Å; I544-V556 HydrophobicContact CG2-CG2 4.21Å
545	V	94.9	Very high	92.9	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122	176.4	-174.6	0	0	0	0	108.3	H534 L536 L557 D558 M593 I604	H534-V545 HydrophobicContact CB-CG1 4.19Å; L536-V545 HydrophobicContact CD2-CB 4.1Å; L536-V545 HydrophobicContact CD2-CG1 3.96Å; L536-V545 HydrophobicContact CD2-CG2 3.89Å; V545-L557 PolarHBondContact O-N 3.41Å; V545-D558 PolarHBondContact N-O 3.5Å; V545-D558 PolarHBondContact O-N 3.4Å; V545-M593 HydrophobicContact CG2-CE 4.24Å; V545-M593 HydrophobicContact CG2-SD 4.1Å; V545-I604 HydrophobicContact CG1-CD1 4.21Å; V545-I604 HydrophobicContact CG2-CD1 4.27Å
546	T	94.6	Very high	92.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	163.3	-178.2	78.6	0	0	0	0	112.6	M493 H534 Y535 F537 I544 F554 V555 V556	M493-T546 HydrophobicContact CE-CG2 4.06Å; M493-T546 HydrophobicContact SD-CG2 3.81Å; H534-T546 WeakPolarHBondContact CA-O 3.42Å; Y535-T546 PolarHBondContact N-O 3.2Å; Y535-T546 WeakPolarHBondContact O-CA 3.2Å; Y535-T546 WeakPolarHBondContact O-CB 3.26Å; Y535-T546 PolarHBondContact O-N 2.78Å; Y535-T546 PolarHBondContact O-OG1 2.92Å; F537-T546 HydrophobicContact CD2-CG2 3.92Å; F537-T546 HydrophobicContact CE2-CG2 4.06Å; I544-T546 HydrophobicContact CG2-CG2 3.81Å; T546-F554 HydrophobicContact CG2-CB 4.23Å; T546-V555 CarbonylContact C-O 3.58Å; T546-V555 VanDerWaalsContact CA-O 3.24Å; T546-V555 WeakPolarHBondContact CA-O 3.35Å; T546-V555 WeakPolarHBondContact CB-O 3.37Å; T546-V556 HydrophobicContact CG2-CG2 4.39Å
547	K	91.8	Very high	92.7	Very high	128 Å²	128	45 Å²	45	56%	0.557	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.7	162.3	-175.5	178.5	179.1	-176.6	0	109.6	K549 V555 L557	K547-K549 PolarHBondContact O-N 2.6Å; K547-V555 PolarHBondContact N-O 2.71Å; K547-V555 PolarHBondContact O-N 2.71Å; K547-L557 HydrophobicContact CB-CD1 4.12Å; K547-L557 HydrophobicContact CB-CD2 4.41Å; K547-L557 HydrophobicContact CB-CG 4.31Å
548	K	91.1	Very high	92.6	Very high	80 Å²	80	45.5 Å²	45.5	35%	0.348	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	129.1	173.2	-167.5	174.3	179	-177.2	0	110.7	E515 Y535 S550 F554	E515-K548 WeakPolarHBondContact OE2-CD 3.46Å; E515-K548 IonicContact OE2-NZ 2.68Å; E515-K548 PolarHBondContact OE2-NZ 2.95Å; Y535-K548 HydrophobicContact CD2-CD 4.24Å; K548-S550 VanDerWaalsContact CG-O 3.24Å; K548-S550 WeakPolarHBondContact CG-O 3.47Å; K548-F554 HydrophobicContact CB-CD1 4.1Å; K548-F554 HydrophobicContact CB-CE1 4.09Å; K548-F554 HydrophobicContact CD-CE1 4.21Å; K548-F554 HydrophobicContact CG-CD1 4.19Å; K548-F554 HydrophobicContact CG-CE1 3.78Å; K548-F554 HydrophobicContact CG-CZ 4.49Å
549	K	88.9	Confident	92.5	Very high	139 Å²	139	47 Å²	47	60%	0.604	23%	0.23	S	C	*	.	S	Bend	trans	-113.9	-36	-179.6	177.9	-178.6	173.9	-171.7	0	111.1	D494 K547 S553 V555	D494-K549 IonicContact OD2-NZ 2.76Å; K547-K549 PolarHBondContact O-N 2.6Å; K549-S553 WeakPolarHBondContact CA-O 3.35Å; K549-S553 WeakPolarHBondContact CB-O 3.29Å; K549-S553 PolarHBondContact N-O 2.67Å; K549-V555 HydrophobicContact CB-CG2 4.37Å; K549-V555 HydrophobicContact CD-CG2 3.96Å
550	S	89.4	Confident	92.5	Very high	58 Å²	58	47 Å²	47	41%	0.406	23%	0.231	S	C	.	.	S	Bend	trans	-146.4	-171.7	164.3	70.3	0	0	0	0	108.9	K548 E552 S553	K548-S550 VanDerWaalsContact CG-O 3.24Å; K548-S550 WeakPolarHBondContact CG-O 3.47Å; S550-E552 PolarHBondContact O-N 2.82Å; S550-E552 PolarHBondContact OG-N 2.86Å; S550-S553 PolarHBondContact N-O 3.09Å; S550-S553 VanDerWaalsContact N-O 3.09Å; S550-S553 WeakPolarHBondContact OG-CB 3.47Å; S550-S553 PolarHBondContact OG-N 2.95Å; S550-S553 VanDerWaalsContact OG-N 3.15Å
551	E	83.8	Confident	92.6	Very high	167 Å²	167	48.6 Å²	48.6	78%	0.78	24%	0.241	S	C	*	.	S	Bend	trans	-71.3	-15.5	172.8	-60.7	-173.4	147.6	0	0	113
552	E	87.6	Confident	92.5	Very high	150 Å²	150	46.7 Å²	46.7	70%	0.701	23%	0.231	S	C	*	.	S	Bend	trans	-120.9	8	-178	-57.6	-173.7	136.4	0	0	113	Q492 S550	Q492-E552 WeakPolarHBondContact CA-O 3.49Å; Q492-E552 WeakPolarHBondContact CB-O 3.42Å; Q492-E552 WeakPolarHBondContact CG-O 3.44Å; S550-E552 PolarHBondContact O-N 2.82Å; S550-E552 PolarHBondContact OG-N 2.86Å
553	S	92.9	Very high	92.3	Very high	28 Å²	28	52 Å²	52	20%	0.196	26%	0.259	C	S	.	.			trans	-143.2	125.3	-176.9	-172	0	0	0	0	111.6	Q492 K549 S550	Q492-S553 WeakPolarHBondContact O-CA 3.4Å; K549-S553 WeakPolarHBondContact CA-O 3.35Å; K549-S553 WeakPolarHBondContact CB-O 3.29Å; K549-S553 PolarHBondContact N-O 2.67Å; S550-S553 PolarHBondContact N-O 3.09Å; S550-S553 VanDerWaalsContact N-O 3.09Å; S550-S553 WeakPolarHBondContact OG-CB 3.47Å; S550-S553 PolarHBondContact OG-N 2.95Å; S550-S553 VanDerWaalsContact OG-N 3.15Å
554	F	94.9	Very high	92.1	Very high	9 Å²	9	53.8 Å²	53.8	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.7	-178.3	-58.8	-92.1	0	0	0	108.6	Q492 M493 D494 Y535 F537 T546 K548	Q492-F554 HydrophobicContact CB-CD2 3.96Å; Q492-F554 HydrophobicContact CB-CE2 4.31Å; Q492-F554 PolarHBondContact O-N 2.78Å; M493-F554 HydrophobicContact SD-CB 4.34Å; D494-F554 PolarHBondContact N-O 2.91Å; Y535-F554 AromaticContact CD1-CD1 3.82Å; Y535-F554 HydrophobicContact CD1-CD1 3.82Å; Y535-F554 AromaticContact CD1-CE1 3.43Å; Y535-F554 HydrophobicContact CD1-CE1 3.43Å; Y535-F554 VanDerWaalsContact CD1-CE1 3.43Å; Y535-F554 HydrophobicContact CD1-CZ 4.27Å; Y535-F554 HydrophobicContact CD2-CE1 4.03Å; Y535-F554 AromaticContact CE1-CE1 3.78Å; Y535-F554 HydrophobicContact CE1-CE1 3.78Å; Y535-F554 HydrophobicContact CE1-CZ 4.18Å; Y535-F554 HydrophobicContact CE2-CE1 4.36Å; Y535-F554 AromaticContact CG-CD1 3.99Å; Y535-F554 HydrophobicContact CG-CD1 3.99Å; Y535-F554 AromaticContact CG-CE1 3.56Å; Y535-F554 HydrophobicContact CG-CE1 3.56Å; F537-F554 HydrophobicContact CE2-CB 4.27Å; F537-F554 AromaticContact CE2-CD1 3.79Å; F537-F554 HydrophobicContact CE2-CD1 3.79Å; F537-F554 HydrophobicContact CE2-CD2 4.16Å; F537-F554 HydrophobicContact CE2-CE1 4.16Å; F537-F554 AromaticContact CE2-CG 3.8Å; F537-F554 HydrophobicContact CE2-CG 3.8Å; F537-F554 HydrophobicContact CZ-CD1 4.03Å; F537-F554 AromaticContact CZ-CD2 3.81Å; F537-F554 HydrophobicContact CZ-CD2 3.81Å; F537-F554 HydrophobicContact CZ-CE1 4.03Å; F537-F554 AromaticContact CZ-CE2 3.83Å; F537-F554 HydrophobicContact CZ-CE2 3.83Å; F537-F554 AromaticContact CZ-CG 3.93Å; F537-F554 HydrophobicContact CZ-CG 3.93Å; F537-F554 AromaticContact CZ-CZ 3.94Å; F537-F554 HydrophobicContact CZ-CZ 3.94Å; T546-F554 HydrophobicContact CG2-CB 4.23Å; K548-F554 HydrophobicContact CB-CD1 4.1Å; K548-F554 HydrophobicContact CB-CE1 4.09Å; K548-F554 HydrophobicContact CD-CE1 4.21Å; K548-F554 HydrophobicContact CG-CD1 4.19Å; K548-F554 HydrophobicContact CG-CE1 3.78Å; K548-F554 HydrophobicContact CG-CZ 4.49Å
555	V	94.6	Very high	92	Very high	41 Å²	41	53.9 Å²	53.9	25%	0.248	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.2	174.2	-178.5	0	0	0	0	108	D494 T546 K547 K549 L557	D494-V555 HydrophobicContact CB-CG2 4.35Å; D494-V555 CarbonylContact O-C 3.54Å; D494-V555 WeakPolarHBondContact O-CA 3.33Å; T546-V555 CarbonylContact C-O 3.58Å; T546-V555 VanDerWaalsContact CA-O 3.24Å; T546-V555 WeakPolarHBondContact CA-O 3.35Å; T546-V555 WeakPolarHBondContact CB-O 3.37Å; K547-V555 PolarHBondContact N-O 2.71Å; K547-V555 PolarHBondContact O-N 2.71Å; K549-V555 HydrophobicContact CB-CG2 4.37Å; K549-V555 HydrophobicContact CD-CG2 3.96Å; V555-L557 PolarHBondContact O-N 2.86Å
556	V	94.6	Very high	91.7	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.024	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.7	175.8	-177	0	0	0	0	108.9	M493 D494 F495 I498 I544 T546	M493-V556 HydrophobicContact CB-CG2 4.29Å; M493-V556 HydrophobicContact SD-CG2 3.71Å; D494-V556 PolarHBondContact O-N 2.74Å; F495-V556 HydrophobicContact CD1-CB 4.06Å; F495-V556 HydrophobicContact CD1-CG1 4.15Å; F495-V556 HydrophobicContact CD1-CG2 3.84Å; F495-V556 HydrophobicContact CD2-CG2 4.45Å; F495-V556 HydrophobicContact CE1-CB 4.4Å; F495-V556 HydrophobicContact CE1-CG1 4.25Å; F495-V556 HydrophobicContact CE1-CG2 3.87Å; F495-V556 HydrophobicContact CE2-CG2 4.48Å; F495-V556 HydrophobicContact CG-CG2 4.14Å; F495-V556 HydrophobicContact CZ-CG2 4.19Å; I498-V556 HydrophobicContact CG2-CG1 4.28Å; I544-V556 HydrophobicContact CG2-CG1 3.9Å; I544-V556 HydrophobicContact CG2-CG2 4.21Å; T546-V556 HydrophobicContact CG2-CG2 4.39Å
557	L	92.3	Very high	91.5	Very high	70 Å²	70	58.4 Å²	58.4	37%	0.366	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-43.8	174.4	-61	-178.5	0	0	0	110.5	I498 H534 V545 K547 V555	I498-L557 VanDerWaalsContact CD1-O 3.24Å; I498-L557 WeakPolarHBondContact CD1-O 3.31Å; I498-L557 WeakPolarHBondContact CG1-O 3.4Å; H534-L557 VanDerWaalsContact CD2-CD1 3.48Å; H534-L557 WeakPolarHBondContact CD2-CD1 3.46Å; H534-L557 WeakPolarHBondContact NE2-CD1 3.35Å; V545-L557 PolarHBondContact O-N 3.41Å; K547-L557 HydrophobicContact CB-CD1 4.12Å; K547-L557 HydrophobicContact CB-CD2 4.41Å; K547-L557 HydrophobicContact CB-CG 4.31Å; V555-L557 PolarHBondContact O-N 2.86Å
558	D	92.9	Very high	91.1	Very high	12 Å²	12	55.6 Å²	55.6	6%	0.064	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	172.8	173	-141.3	-41.2	0	0	0	111.8	V545 M593 N596 S597	V545-D558 PolarHBondContact N-O 3.5Å; V545-D558 PolarHBondContact O-N 3.4Å; D558-M593 HydrophobicContact CB-CE 4.22Å; D558-N596 WeakPolarHBondContact OD1-CB 3.41Å; D558-N596 WeakPolarHBondContact OD2-CB 3.31Å; D558-N596 VanDerWaalsContact OD2-CG 3.31Å; D558-N596 PolarHBondContact OD2-ND2 2.78Å; D558-S597 WeakPolarHBondContact OD1-CB 3.03Å; D558-S597 PolarHBondContact OD1-N 3.49Å; D558-S597 PolarHBondContact OD1-OG 3.04Å
559	Y	94.6	Very high	90.1	Very high	31 Å²	31	56.5 Å²	56.5	12%	0.122	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	155.1	168.9	65.5	-98.9	0	0	0	111.9	I498 K499 F501 V542 L543 N596 S597	I498-Y559 HydrophobicContact CG2-CD1 4.07Å; I498-Y559 HydrophobicContact CG2-CE1 3.86Å; K499-Y559 WeakPolarHBondContact O-CE1 3.39Å; F501-Y559 HydrophobicContact CB-CD1 4.33Å; F501-Y559 HydrophobicContact CB-CE1 4.12Å; F501-Y559 AromaticContact CD2-CD2 3.95Å; F501-Y559 HydrophobicContact CD2-CD2 3.95Å; F501-Y559 HydrophobicContact CD2-CE1 4.47Å; F501-Y559 AromaticContact CD2-CE2 3.73Å; F501-Y559 HydrophobicContact CD2-CE2 3.73Å; F501-Y559 HydrophobicContact CD2-CG 4.45Å; F501-Y559 HydrophobicContact CE2-CD2 4.39Å; F501-Y559 HydrophobicContact CE2-CE2 4.32Å; V542-Y559 HydrophobicContact CG2-CD2 4.3Å; L543-Y559 CarbonylContact O-C 3.47Å; L543-Y559 WeakPolarHBondContact O-CA 3.36Å; L543-Y559 WeakPolarHBondContact O-CB 3.43Å; Y559-N596 CarbonylContact O-C 3.54Å; Y559-S597 VanDerWaalsContact CZ-CB 3.43Å; Y559-S597 PolarHBondContact O-N 2.85Å
560	A	94.4	Very high	88.9	Confident	2 Å²	2	52.1 Å²	52.1	2%	0.017	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	144.9	173.7	0	0	0	0	0	110.8	V542 L543 V565 M593 K595	V542-A560 WeakPolarHBondContact CA-O 3.36Å; V542-A560 VanDerWaalsContact CG2-O 3.31Å; V542-A560 WeakPolarHBondContact CG2-O 3.29Å; L543-A560 PolarHBondContact N-O 2.97Å; L543-A560 PolarHBondContact O-N 3.41Å; A560-V565 HydrophobicContact CB-CG2 3.95Å; A560-M593 HydrophobicContact CB-CB 4.04Å; A560-M593 HydrophobicContact CB-CG 3.93Å; A560-M593 HydrophobicContact CB-SD 3.85Å; A560-K595 WeakPolarHBondContact CB-O 3.44Å
561	T	93.3	Very high	87.2	Confident	54 Å²	54	56.5 Å²	56.5	33%	0.331	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	147.3	168.1	69.2	0	0	0	0	109.6	D541 D563 N564 V565	D541-T561 VanDerWaalsContact O-CA 3.31Å; D541-T561 WeakPolarHBondContact O-CA 3.19Å; T561-D563 PolarHBondContact O-N 3.09Å; T561-D563 VanDerWaalsContact O-N 3.17Å; T561-D563 PolarHBondContact OG1-OD2 2.89Å; T561-N564 WeakPolarHBondContact O-CA 3.38Å; T561-N564 WeakPolarHBondContact O-CB 3.35Å; T561-N564 PolarHBondContact O-N 2.88Å; T561-N564 PolarHBondContact OG1-ND2 2.71Å; T561-V565 PolarHBondContact O-N 3.41Å
562	L	91.1	Very high	85.5	Confident	6 Å²	6	51.8 Å²	51.8	3%	0.031	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-63.4	-26.4	-171	-64.4	-165.8	0	0	0	114.2	L538 F539 D541 L543 N564 V565 Q624	L538-L562 HydrophobicContact CD1-CD1 3.93Å; L538-L562 HydrophobicContact CD1-CD2 3.55Å; L538-L562 HydrophobicContact CD1-CG 4.37Å; F539-L562 WeakPolarHBondContact O-CD1 3.45Å; D541-L562 PolarHBondContact O-N 3.08Å; L543-L562 HydrophobicContact CB-CD2 3.8Å; L562-N564 PolarHBondContact O-N 3.13Å; L562-N564 VanDerWaalsContact O-N 3.16Å; L562-V565 HydrophobicContact CD2-CB 4.43Å; L562-V565 HydrophobicContact CD2-CG2 4.11Å; L562-V565 WeakPolarHBondContact O-CB 3.33Å; L562-V565 PolarHBondContact O-N 3.36Å; L562-Q624 VanDerWaalsContact C-OE1 3.3Å; L562-Q624 HydrophobicContact CB-CG 4.25Å; L562-Q624 HydrophobicContact CD1-CB 4.2Å; L562-Q624 HydrophobicContact CD1-CG 4.26Å
563	D	90.1	Very high	83.4	Confident	110 Å²	110	49.1 Å²	49.1	59%	0.588	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-59	-29	172.8	-31.5	-57.2	0	0	0	112.3	T561 Q624	T561-D563 PolarHBondContact O-N 3.09Å; T561-D563 VanDerWaalsContact O-N 3.17Å; T561-D563 PolarHBondContact OG1-OD2 2.89Å; D563-Q624 PolarHBondContact OD1-NE2 2.86Å
564	N	91.3	Very high	81.1	Confident	38 Å²	38	55 Å²	55	20%	0.203	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-93	0.8	176.5	-65	-78.5	0	0	0	112.8	T561 L562 C594 K595	T561-N564 WeakPolarHBondContact O-CA 3.38Å; T561-N564 WeakPolarHBondContact O-CB 3.35Å; T561-N564 PolarHBondContact O-N 2.88Å; T561-N564 PolarHBondContact OG1-ND2 2.71Å; L562-N564 PolarHBondContact O-N 3.13Å; L562-N564 VanDerWaalsContact O-N 3.16Å; N564-C594 HydrophobicContact CB-CB 4.44Å; N564-C594 WeakPolarHBondContact O-CB 3.49Å; N564-C594 PolarHBondContact O-N 3.36Å; N564-C594 PolarHBondContact O-SG 2.95Å; N564-K595 HydrophobicContact CB-CB 4.24Å; N564-K595 WeakPolarHBondContact OD1-CD 3.44Å
565	V	92.1	Very high	78.7	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.8	178.4	177.2	0	0	0	0	110.9	L543 A560 T561 L562 L591 L621 K625	L543-V565 HydrophobicContact CB-CG2 4.25Å; L543-V565 HydrophobicContact CD2-CG1 4.33Å; L543-V565 HydrophobicContact CD2-CG2 4.32Å; A560-V565 HydrophobicContact CB-CG2 3.95Å; T561-V565 PolarHBondContact O-N 3.41Å; L562-V565 HydrophobicContact CD2-CB 4.43Å; L562-V565 HydrophobicContact CD2-CG2 4.11Å; L562-V565 WeakPolarHBondContact O-CB 3.33Å; L562-V565 PolarHBondContact O-N 3.36Å; V565-L591 HydrophobicContact CG1-CD1 3.62Å; V565-L621 HydrophobicContact CG1-CD2 4.22Å; V565-K625 PolarHBondContact O-NZ 3.48Å
566	Q	90.5	Very high	76.2	Confident	77 Å²	77	69 Å²	69	36%	0.36	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.7	175.1	-57.4	-174.6	0.8	0	0	109.9	R592	Q566-R592 HydrophobicContact CB-CB 4.36Å; Q566-R592 PolarHBondContact N-O 2.9Å; Q566-R592 PolarHBondContact O-N 3.32Å
567	V	90.1	Very high	73.9	Confident	20 Å²	20	75.1 Å²	75.1	12%	0.121	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.1	176.2	176.9	0	0	0	0	108.2	F589 K590 I618 L621	V567-F589 HydrophobicContact CG1-CB 4.39Å; V567-F589 HydrophobicContact CG1-CD2 4.04Å; V567-K590 WeakPolarHBondContact CA-O 3.42Å; V567-I618 HydrophobicContact CG1-CG1 4.12Å; V567-I618 HydrophobicContact CG1-CG2 4.43Å; V567-L621 HydrophobicContact CG2-CB 3.57Å; V567-L621 HydrophobicContact CG2-CD1 3.7Å; V567-L621 HydrophobicContact CG2-CG 4.22Å
568	E	83.1	Confident	71.5	Confident	68 Å²	68	76.7 Å²	76.7	32%	0.318	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	139.5	172.8	-71.8	-175	154.6	0	0	110.5	K590 R592	E568-K590 HydrophobicContact CB-CB 4.08Å; E568-K590 PolarHBondContact N-O 3.49Å; E568-K590 PolarHBondContact O-N 3.29Å; E568-R592 VanDerWaalsContact CD-CZ 3.49Å; E568-R592 IonicContact OE1-CZ 2.66Å; E568-R592 IonicContact OE1-NH1 3.26Å; E568-R592 PolarHBondContact OE1-NH1 2.81Å; E568-R592 IonicContact OE1-NH2 3.22Å; E568-R592 PolarHBondContact OE1-NH2 3.04Å; E568-R592 IonicContact OE2-CZ 2.67Å; E568-R592 IonicContact OE2-NH1 3.81Å; E568-R592 IonicContact OE2-NH2 2.77Å; E568-R592 PolarHBondContact OE2-NH2 3.34Å
569	F	69.6	Low	69.2	Low	100 Å²	100	82.9 Å²	82.9	44%	0.439	45%	0.451	S	S	.	.			trans	-77.5	144.1	167.4	-61	-67.3	0	0	0	109.7	E571 I618	F569-E571 HydrophobicContact CB-CG 3.89Å; F569-I618 HydrophobicContact CE1-CD1 4.29Å; F569-I618 HydrophobicContact CE1-CG2 4.35Å
570	V	64.1	Low	66.8	Low	47 Å²	47	85 Å²	85	29%	0.285	48%	0.483	S	S	.	.			trans	-91.1	94.2	159.1	-177.6	0	0	0	0	105.9	K590	V570-K590 HydrophobicContact CG2-CD 4.16Å; V570-K590 HydrophobicContact CG2-CG 4.01Å
571	E	53	Low	64.8	Low	150 Å²	150	94.3 Å²	94.3	70%	0.701	52%	0.523	S	S	*	.			trans	-86	138.9	173.2	-67.8	-178.9	175.4	0	0	109.6	F569 A573	F569-E571 HydrophobicContact CB-CG 3.89Å; E571-A573 VanDerWaalsContact C-N 3.34Å; E571-A573 PolarHBondContact O-N 3.05Å
572	D	49.4	Very low	62.8	Low	68 Å²	68	94.1 Å²	94.1	36%	0.364	52%	0.524	S	S	.	.			trans	-74.2	79.2	-171.7	-85	-26.1	0	0	0	111.5	V575 N585 Y586	D572-V575 HydrophobicContact CB-CG2 3.69Å; D572-N585 PolarHBondContact OD1-ND2 3.07Å; D572-Y586 PolarHBondContact OD2-OH 2.85Å; D572-Y586 VanDerWaalsContact OD2-OH 3.04Å
573	A	43.4	Very low	60.9	Low	93 Å²	93	99.9 Å²	99.9	77%	0.769	56%	0.56	S	S	*	*	S	Bend	trans	-74.4	-29.6	179.5	0	0	0	0	0	114.4	E571	E571-A573 VanDerWaalsContact C-N 3.34Å; E571-A573 PolarHBondContact O-N 3.05Å
574	D	43	Very low	59.2	Low	151 Å²	151	97.3 Å²	97.3	81%	0.807	55%	0.55	S	S	*	*			trans	-127.1	32.7	-167.5	-87.8	-55	0	0	0	114.6	R576	D574-R576 PolarHBondContact O-N 3.25Å
575	V	45.1	Very low	57.8	Low	110 Å²	110	97.5 Å²	97.5	67%	0.667	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	64.1	172.3	-172.7	0	0	0	0	110.9	D572	D572-V575 HydrophobicContact CB-CG2 3.69Å
576	R	42.9	Very low	56.8	Low	235 Å²	235	102.8 Å²	102.8	89%	0.887	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.6	8.2	171.6	-77.7	-162.1	175.8	-163.7	1.2	115.4	D574	D574-R576 PolarHBondContact O-N 3.25Å
577	T	45.2	Very low	56.6	Low	132 Å²	132	101.3 Å²	101.3	81%	0.81	57%	0.566	S	S	*	*	S	Bend	trans	-155.8	75.1	169	-3.4	0	0	0	0	114.9
578	S	41.7	Very low	56.4	Low	104 Å²	104	101 Å²	101	73%	0.727	57%	0.565	S	S	*	*			trans	171.5	109.3	146.7	-83.3	0	0	0	0	112.8	G580	S578-G580 PolarHBondContact O-N 3.46Å
579	P	44.3	Very low	56.8	Low	141 Å²	141	97.8 Å²	97.8	92%	0.916	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	108.6	166.4	31.1	-30.7	0	0	0	110
580	G	44.8	Very low	57.8	Low	77 Å²	77	95.8 Å²	95.8	79%	0.794	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.4	-0.5	174.2	0	0	0	0	0	117.8	S578	S578-G580 PolarHBondContact O-N 3.46Å
581	K	53.1	Low	59.1	Low	196 Å²	196	93.6 Å²	93.6	85%	0.852	53%	0.527	S	S	*	.			trans	-134.6	165.6	173.8	-70.4	-178	175.2	177.3	0	110.8
582	S	50.7	Low	60.9	Low	50 Å²	50	89.1 Å²	89.1	35%	0.35	50%	0.504	S	S	.	.			trans	87.2	61.9	173.2	-153	0	0	0	0	118.6	S584 N585	S582-S584 VanDerWaalsContact C-N 3.3Å; S582-N585 VanDerWaalsContact OG-CB 3.28Å; S582-N585 WeakPolarHBondContact OG-CB 3.3Å; S582-N585 PolarHBondContact OG-N 2.88Å; S582-N585 PolarHBondContact OG-ND2 3.04Å; S582-N585 VanDerWaalsContact OG-ND2 3.15Å; S582-N585 PolarHBondContact OG-OD1 2.77Å
583	T	50.6	Low	62.9	Low	128 Å²	128	86 Å²	86	79%	0.785	49%	0.487	S	S	*	.	S	Bend	trans	-80.5	-16.9	138	46.5	0	0	0	0	112
584	S	55.1	Low	65.2	Low	55 Å²	55	83.4 Å²	83.4	39%	0.385	46%	0.463	S	S	.	.	S	Bend	trans	-76.9	-32	-170.2	-160.7	0	0	0	0	115	S582 Y586 L587 S588	S582-S584 VanDerWaalsContact C-N 3.3Å; S584-Y586 VanDerWaalsContact C-N 3.31Å; S584-Y586 PolarHBondContact O-N 2.88Å; S584-L587 PolarHBondContact O-N 2.83Å; S584-L587 VanDerWaalsContact O-N 3.15Å; S584-S588 PolarHBondContact O-N 2.94Å
585	N	61.9	Low	67.4	Low	43 Å²	43	82.3 Å²	82.3	23%	0.23	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-62.2	-40.2	-177	-67.7	6.8	0	0	0	111.6	D572 S582 L587 S588	D572-N585 PolarHBondContact OD1-ND2 3.07Å; S582-N585 VanDerWaalsContact OG-CB 3.28Å; S582-N585 WeakPolarHBondContact OG-CB 3.3Å; S582-N585 PolarHBondContact OG-N 2.88Å; S582-N585 PolarHBondContact OG-ND2 3.04Å; S582-N585 VanDerWaalsContact OG-ND2 3.15Å; S582-N585 PolarHBondContact OG-OD1 2.77Å; N585-L587 PolarHBondContact O-N 2.83Å; N585-L587 VanDerWaalsContact O-N 3.15Å; N585-S588 PolarHBondContact O-N 2.82Å; N585-S588 VanDerWaalsContact O-N 3.08Å; N585-S588 PolarHBondContact O-OG 3.15Å
586	Y	72.3	Confident	69.6	Low	114 Å²	114	77.9 Å²	77.9	45%	0.447	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-65.4	-17.7	179.6	-64.2	-85.2	0	0	0	113.9	D572 S584 R614	D572-Y586 PolarHBondContact OD2-OH 2.85Å; D572-Y586 VanDerWaalsContact OD2-OH 3.04Å; S584-Y586 VanDerWaalsContact C-N 3.31Å; S584-Y586 PolarHBondContact O-N 2.88Å; Y586-R614 WeakPolarHBondContact O-CD 3.27Å; Y586-R614 PolarHBondContact O-NE 2.86Å
587	L	84.9	Confident	71.7	Confident	46 Å²	46	67.9 Å²	67.9	24%	0.241	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-103.6	-6.8	176.9	-62.9	-177.7	0	0	0	112.9	S584 N585 V607 A608 S610 R611	S584-L587 PolarHBondContact O-N 2.83Å; S584-L587 VanDerWaalsContact O-N 3.15Å; N585-L587 PolarHBondContact O-N 2.83Å; N585-L587 VanDerWaalsContact O-N 3.15Å; L587-V607 HydrophobicContact CB-CG1 3.84Å; L587-V607 WeakPolarHBondContact O-CA 3.4Å; L587-A608 PolarHBondContact O-N 2.78Å; L587-S610 VanDerWaalsContact CD2-C 3.46Å; L587-R611 HydrophobicContact CD2-CG 4.05Å
588	S	87.3	Confident	73.8	Confident	12 Å²	12	67.4 Å²	67.4	8%	0.084	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	156	-176	77.2	0	0	0	0	114.1	S584 N585 L606 R614	S584-S588 PolarHBondContact O-N 2.94Å; N585-S588 PolarHBondContact O-N 2.82Å; N585-S588 VanDerWaalsContact O-N 3.08Å; N585-S588 PolarHBondContact O-OG 3.15Å; S588-L606 CarbonylContact C-O 3.45Å; S588-L606 WeakPolarHBondContact CA-O 3.48Å; S588-L606 WeakPolarHBondContact CB-O 3.35Å; S588-R614 PolarHBondContact O-NE 3.31Å; S588-R614 PolarHBondContact O-NH2 3.11Å
589	F	90.4	Very high	76	Confident	1 Å²	1	65 Å²	65	0%	0.004	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.4	168.1	64	-85.4	0	0	0	110.1	L516 V567 L606 R614 W617 I618 L621	L516-F589 HydrophobicContact CD1-CE1 4.12Å; L516-F589 HydrophobicContact CD1-CZ 3.74Å; V567-F589 HydrophobicContact CG1-CB 4.39Å; V567-F589 HydrophobicContact CG1-CD2 4.04Å; F589-L606 HydrophobicContact CD1-CB 4.47Å; F589-L606 HydrophobicContact CE1-CB 4.1Å; F589-L606 HydrophobicContact CE2-CB 4.21Å; F589-L606 HydrophobicContact CE2-CD1 3.81Å; F589-L606 HydrophobicContact CZ-CB 3.97Å; F589-L606 HydrophobicContact CZ-CD1 3.89Å; F589-L606 PolarHBondContact N-O 3.04Å; F589-L606 PolarHBondContact O-N 3.06Å; F589-R614 HydrophobicContact CD1-CG 4.3Å; F589-W617 HydrophobicContact CE1-CB 4.12Å; F589-W617 HydrophobicContact CZ-CB 3.91Å; F589-W617 HydrophobicContact CZ-CG 4.3Å; F589-I618 HydrophobicContact CB-CD1 4.19Å; F589-I618 HydrophobicContact CB-CG1 4.35Å; F589-I618 HydrophobicContact CD1-CG1 4.47Å; F589-I618 HydrophobicContact CG-CG1 4.28Å; F589-L621 HydrophobicContact CE2-CD1 3.91Å; F589-L621 HydrophobicContact CZ-CD1 4.44Å
590	K	89.8	Confident	78.1	Confident	59 Å²	59	63.9 Å²	63.9	26%	0.257	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.5	176.9	-74.7	-176.8	178.5	-174.2	0	109.9	V567 E568 V570	V567-K590 WeakPolarHBondContact CA-O 3.42Å; E568-K590 HydrophobicContact CB-CB 4.08Å; E568-K590 PolarHBondContact N-O 3.49Å; E568-K590 PolarHBondContact O-N 3.29Å; V570-K590 HydrophobicContact CG2-CD 4.16Å; V570-K590 HydrophobicContact CG2-CG 4.01Å
591	L	91.6	Very high	80.2	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.4	171.3	177.8	72.8	0	0	0	108.5	L543 V565 Q603 I604 L606 L621	L543-L591 HydrophobicContact CD2-CD1 3.73Å; L543-L591 HydrophobicContact CD2-CD2 3.69Å; L543-L591 HydrophobicContact CD2-CG 4.31Å; V565-L591 HydrophobicContact CG1-CD1 3.62Å; L591-Q603 CarbonylContact O-C 3.56Å; L591-Q603 WeakPolarHBondContact O-CA 3.38Å; L591-I604 PolarHBondContact N-O 3.5Å; L591-I604 PolarHBondContact O-N 2.64Å; L591-L606 HydrophobicContact CB-CD1 3.91Å; L591-L606 HydrophobicContact CD2-CD1 3.96Å; L591-L621 HydrophobicContact CD1-CD1 4.31Å; L591-L621 HydrophobicContact CD1-CD2 4.48Å
592	R	91.5	Very high	81.9	Confident	57 Å²	57	60.2 Å²	60.2	22%	0.215	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126	172.1	-179.8	179.3	-68.9	141.8	10.4	110	Q566 E568 L601	Q566-R592 HydrophobicContact CB-CB 4.36Å; Q566-R592 PolarHBondContact N-O 2.9Å; Q566-R592 PolarHBondContact O-N 3.32Å; E568-R592 VanDerWaalsContact CD-CZ 3.49Å; E568-R592 IonicContact OE1-CZ 2.66Å; E568-R592 IonicContact OE1-NH1 3.26Å; E568-R592 PolarHBondContact OE1-NH1 2.81Å; E568-R592 IonicContact OE1-NH2 3.22Å; E568-R592 PolarHBondContact OE1-NH2 3.04Å; E568-R592 IonicContact OE2-CZ 2.67Å; E568-R592 IonicContact OE2-NH1 3.81Å; E568-R592 IonicContact OE2-NH2 2.77Å; E568-R592 PolarHBondContact OE2-NH2 3.34Å; R592-L601 HydrophobicContact CG-CD1 3.68Å
593	M	91.9	Very high	83.6	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	102	170.8	-62.7	-173.5	-62.8	0	0	107.5	V545 D558 A560 K595 N596 L601 E602 I604	V545-M593 HydrophobicContact CG2-CE 4.24Å; V545-M593 HydrophobicContact CG2-SD 4.1Å; D558-M593 HydrophobicContact CB-CE 4.22Å; A560-M593 HydrophobicContact CB-CB 4.04Å; A560-M593 HydrophobicContact CB-CG 3.93Å; A560-M593 HydrophobicContact CB-SD 3.85Å; M593-K595 PolarHBondContact O-N 3.49Å; M593-N596 HydrophobicContact CE-CB 4.49Å; M593-L601 WeakPolarHBondContact O-CA 3.49Å; M593-E602 HydrophobicContact CE-CB 4.07Å; M593-E602 HydrophobicContact CE-CG 4.23Å; M593-E602 WeakPolarHBondContact CE-OE2 3.49Å; M593-E602 PolarHBondContact N-O 2.94Å; M593-E602 PolarHBondContact O-N 2.87Å; M593-I604 HydrophobicContact CE-CD1 4.01Å
594	C	90.8	Very high	85.5	Confident	40 Å²	40	55.2 Å²	55.2	27%	0.27	28%	0.281	S	S	.	.	S	Bend	trans	-66.2	-28.9	-175.8	-58.2	0	0	0	0	112.5	N564	N564-C594 HydrophobicContact CB-CB 4.44Å; N564-C594 WeakPolarHBondContact O-CB 3.49Å; N564-C594 PolarHBondContact O-N 3.36Å; N564-C594 PolarHBondContact O-SG 2.95Å
595	K	90.4	Very high	87.1	Confident	127 Å²	127	53.2 Å²	53.2	55%	0.552	27%	0.267	S	S	*	.	S	Bend	trans	-143.2	106.4	169.6	-60.8	179.5	-171.9	167.4	0	107.8	A560 N564 M593 K600	A560-K595 WeakPolarHBondContact CB-O 3.44Å; N564-K595 HydrophobicContact CB-CB 4.24Å; N564-K595 WeakPolarHBondContact OD1-CD 3.44Å; M593-K595 PolarHBondContact O-N 3.49Å; K595-K600 CarbonylContact C-O 3.48Å; K595-K600 WeakPolarHBondContact CA-O 3.44Å
596	N	89.6	Confident	88.4	Confident	18 Å²	18	51.1 Å²	51.1	10%	0.096	26%	0.256	C	S	.	.			trans	-78.8	-169.3	172.5	78.5	-13.1	0	0	0	111.3	D558 Y559 M593 E598 G599 K600	D558-N596 WeakPolarHBondContact OD1-CB 3.41Å; D558-N596 WeakPolarHBondContact OD2-CB 3.31Å; D558-N596 VanDerWaalsContact OD2-CG 3.31Å; D558-N596 PolarHBondContact OD2-ND2 2.78Å; Y559-N596 CarbonylContact O-C 3.54Å; M593-N596 HydrophobicContact CE-CB 4.49Å; N596-E598 PolarHBondContact O-N 2.69Å; N596-E598 WeakPolarHBondContact OD1-CA 3.46Å; N596-E598 PolarHBondContact OD1-N 2.88Å; N596-G599 PolarHBondContact O-N 3.23Å; N596-G599 PolarHBondContact OD1-N 2.91Å; N596-G599 VanDerWaalsContact OD1-N 3.09Å; N596-K600 PolarHBondContact N-O 3.2Å; N596-K600 WeakPolarHBondContact OD1-CB 3.3Å; N596-K600 PolarHBondContact OD1-N 2.96Å; N596-K600 PolarHBondContact OD1-O 3.37Å
597	S	88.9	Confident	89.3	Confident	25 Å²	25	46.7 Å²	46.7	18%	0.175	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.8	-178.7	63.5	0	0	0	0	114.4	D558 Y559	D558-S597 WeakPolarHBondContact OD1-CB 3.03Å; D558-S597 PolarHBondContact OD1-N 3.49Å; D558-S597 PolarHBondContact OD1-OG 3.04Å; Y559-S597 VanDerWaalsContact CZ-CB 3.43Å; Y559-S597 PolarHBondContact O-N 2.85Å
598	E	88.8	Confident	89.7	Confident	122 Å²	122	44.6 Å²	44.6	57%	0.57	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	2.8	173.1	-60.3	-168	145.9	0	0	113.3	N596 K600	N596-E598 PolarHBondContact O-N 2.69Å; N596-E598 WeakPolarHBondContact OD1-CA 3.46Å; N596-E598 PolarHBondContact OD1-N 2.88Å; E598-K600 VanDerWaalsContact C-N 3.33Å; E598-K600 HydrophobicContact CB-CD 4.14Å; E598-K600 HydrophobicContact CB-CG 4.28Å; E598-K600 VanDerWaalsContact OE2-CE 3.3Å; E598-K600 WeakPolarHBondContact OE2-CE 3.48Å; E598-K600 IonicContact OE2-NZ 2.69Å; E598-K600 PolarHBondContact OE2-NZ 3.13Å
599	G	87.8	Confident	89.8	Confident	52 Å²	52	50.9 Å²	50.9	54%	0.536	26%	0.263	S	S	.	.	S	Bend	trans	76.6	13.6	-177.6	0	0	0	0	0	115.1	N596	N596-G599 PolarHBondContact O-N 3.23Å; N596-G599 PolarHBondContact OD1-N 2.91Å; N596-G599 VanDerWaalsContact OD1-N 3.09Å
600	K	88.8	Confident	89.8	Confident	119 Å²	119	52.9 Å²	52.9	52%	0.517	28%	0.277	S	S	.	.			trans	-93.7	160.5	-179.2	-62	171.3	-177.3	168.6	0	111.5	K595 N596 E598	K595-K600 CarbonylContact C-O 3.48Å; K595-K600 WeakPolarHBondContact CA-O 3.44Å; N596-K600 PolarHBondContact N-O 3.2Å; N596-K600 WeakPolarHBondContact OD1-CB 3.3Å; N596-K600 PolarHBondContact OD1-N 2.96Å; N596-K600 PolarHBondContact OD1-O 3.37Å; E598-K600 VanDerWaalsContact C-N 3.33Å; E598-K600 HydrophobicContact CB-CD 4.14Å; E598-K600 HydrophobicContact CB-CG 4.28Å; E598-K600 VanDerWaalsContact OE2-CE 3.3Å; E598-K600 WeakPolarHBondContact OE2-CE 3.48Å; E598-K600 IonicContact OE2-NZ 2.69Å; E598-K600 PolarHBondContact OE2-NZ 3.13Å
601	L	89	Confident	89.8	Confident	121 Å²	121	55.6 Å²	55.6	63%	0.634	29%	0.286	S	S	*	.			trans	-78.2	127.1	166.3	176.4	67	0	0	0	109.4	R592 M593	R592-L601 HydrophobicContact CG-CD1 3.68Å; M593-L601 WeakPolarHBondContact O-CA 3.49Å
602	E	87.1	Confident	89.8	Confident	74 Å²	74	56.1 Å²	56.1	35%	0.346	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.2	168.9	-173.6	172.8	-148.4	0	0	110.7	M593 I604	M593-E602 HydrophobicContact CE-CB 4.07Å; M593-E602 HydrophobicContact CE-CG 4.23Å; M593-E602 WeakPolarHBondContact CE-OE2 3.49Å; M593-E602 PolarHBondContact N-O 2.94Å; M593-E602 PolarHBondContact O-N 2.87Å; E602-I604 HydrophobicContact CG-CG1 4.23Å
603	Q	88	Confident	89.8	Confident	62 Å²	62	55 Å²	55	29%	0.29	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	130.3	176.5	-173.9	172.4	-83.6	0	0	109.9	L591	L591-Q603 CarbonylContact O-C 3.56Å; L591-Q603 WeakPolarHBondContact O-CA 3.38Å
604	I	88.8	Confident	89.8	Confident	11 Å²	11	57.5 Å²	57.5	6%	0.056	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	116	-177.3	-49.3	179.7	0	0	0	108.5	V545 L591 M593 E602 L606	V545-I604 HydrophobicContact CG1-CD1 4.21Å; V545-I604 HydrophobicContact CG2-CD1 4.27Å; L591-I604 PolarHBondContact N-O 3.5Å; L591-I604 PolarHBondContact O-N 2.64Å; M593-I604 HydrophobicContact CE-CD1 4.01Å; E602-I604 HydrophobicContact CG-CG1 4.23Å; I604-L606 HydrophobicContact CG2-CD2 3.69Å; I604-L606 HydrophobicContact CG2-CG 3.95Å; I604-L606 PolarHBondContact O-N 3.46Å
605	S	89.3	Confident	89.8	Confident	13 Å²	13	55.9 Å²	55.9	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	111.7	171.4	-62.2	0	0	0	0	109.3	V518 S519	V518-S605 WeakPolarHBondContact CA-O 3.14Å; S519-S605 PolarHBondContact N-O 2.91Å
606	L	90.4	Very high	89.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	151.3	-176.5	-65.4	169.7	0	0	0	110.8	L516 A517 V518 L536 S588 F589 L591 I604	L516-L606 HydrophobicContact CB-CD2 4.15Å; L516-L606 HydrophobicContact CD1-CB 4.28Å; L516-L606 HydrophobicContact CD1-CD1 3.97Å; A517-L606 CarbonylContact O-C 3.54Å; A517-L606 WeakPolarHBondContact O-CA 3.23Å; V518-L606 HydrophobicContact CG2-CD2 4.4Å; L536-L606 HydrophobicContact CD1-CD1 3.94Å; S588-L606 CarbonylContact C-O 3.45Å; S588-L606 WeakPolarHBondContact CA-O 3.48Å; S588-L606 WeakPolarHBondContact CB-O 3.35Å; F589-L606 HydrophobicContact CD1-CB 4.47Å; F589-L606 HydrophobicContact CE1-CB 4.1Å; F589-L606 HydrophobicContact CE2-CB 4.21Å; F589-L606 HydrophobicContact CE2-CD1 3.81Å; F589-L606 HydrophobicContact CZ-CB 3.97Å; F589-L606 HydrophobicContact CZ-CD1 3.89Å; F589-L606 PolarHBondContact N-O 3.04Å; F589-L606 PolarHBondContact O-N 3.06Å; L591-L606 HydrophobicContact CB-CD1 3.91Å; L591-L606 HydrophobicContact CD2-CD1 3.96Å; I604-L606 HydrophobicContact CG2-CD2 3.69Å; I604-L606 HydrophobicContact CG2-CG 3.95Å; I604-L606 PolarHBondContact O-N 3.46Å
607	V	90.9	Very high	90.1	Very high	21 Å²	21	49.8 Å²	49.8	13%	0.127	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129	177.6	-169.4	0	0	0	0	108.7	A517 L587	A517-V607 HydrophobicContact CB-CB 4.34Å; A517-V607 PolarHBondContact N-O 3.49Å; A517-V607 PolarHBondContact O-N 3.35Å; L587-V607 HydrophobicContact CB-CG1 3.84Å; L587-V607 WeakPolarHBondContact O-CA 3.4Å
608	A	91.9	Very high	90.2	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	25%	0.254	C	S	.	.			trans	-97.3	159.6	178.6	0	0	0	0	0	112.4	L516 L587 S610 D613 R614	L516-A608 HydrophobicContact CD2-CB 3.66Å; L587-A608 PolarHBondContact O-N 2.78Å; A608-S610 VanDerWaalsContact C-N 3.28Å; A608-S610 PolarHBondContact O-N 2.84Å; A608-D613 HydrophobicContact CB-CB 4.4Å; A608-R614 HydrophobicContact CB-CB 3.95Å
609	D	90.1	Very high	90.3	Very high	143 Å²	143	44.3 Å²	44.3	77%	0.765	23%	0.232	S	C	*	.	S	Bend	trans	-71.5	-19.9	-178.1	-71.4	-16.5	0	0	0	113.5
610	S	91.1	Very high	90.5	Very high	44 Å²	44	42 Å²	42	31%	0.308	21%	0.208	S	C	.	.	S	Bend	trans	-153	166.6	178.9	73.8	0	0	0	0	112.8	L587 A608 V612 D613 R614	L587-S610 VanDerWaalsContact CD2-C 3.46Å; A608-S610 VanDerWaalsContact C-N 3.28Å; A608-S610 PolarHBondContact O-N 2.84Å; S610-V612 VanDerWaalsContact C-N 3.32Å; S610-D613 PolarHBondContact O-N 3.24Å; S610-D613 PolarHBondContact OG-N 2.99Å; S610-R614 WeakPolarHBondContact O-CB 3.45Å; S610-R614 PolarHBondContact O-N 3.44Å
611	R	89.7	Confident	90.6	Very high	115 Å²	115	37 Å²	37	43%	0.434	19%	0.187	S	C	.	.	H	α-helix	trans	-61.8	-41.5	173.5	-68.4	-176.1	169.8	-151.8	-2.8	111.5	L587 R614 A615 E668	L587-R611 HydrophobicContact CD2-CG 4.05Å; R611-R614 WeakPolarHBondContact O-CB 3.46Å; R611-R614 PolarHBondContact O-N 3.05Å; R611-A615 WeakPolarHBondContact O-CB 3.43Å; R611-A615 PolarHBondContact O-N 3.12Å; R611-E668 WeakPolarHBondContact CD-OE1 3.48Å
612	V	90.9	Very high	90.4	Very high	12 Å²	12	34.8 Å²	34.8	7%	0.073	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-46	175.3	176.1	0	0	0	0	111.8	S610 A615 R616 E667 E668 W670	S610-V612 VanDerWaalsContact C-N 3.32Å; V612-A615 PolarHBondContact O-N 3.08Å; V612-R616 HydrophobicContact CG1-CG 4.4Å; V612-R616 WeakPolarHBondContact O-CB 3.24Å; V612-R616 VanDerWaalsContact O-CG 3.27Å; V612-R616 WeakPolarHBondContact O-CG 3.38Å; V612-R616 PolarHBondContact O-N 2.84Å; V612-E667 HydrophobicContact CG2-CB 4.46Å; V612-E667 HydrophobicContact CG2-CG 4.1Å; V612-E668 HydrophobicContact CG2-CB 3.93Å; V612-E668 HydrophobicContact CG2-CG 4.27Å; V612-E668 WeakPolarHBondContact CG2-OE2 3.05Å; V612-W670 HydrophobicContact CG1-CB 4.05Å; V612-W670 HydrophobicContact CG1-CD2 4.27Å; V612-W670 HydrophobicContact CG1-CG 3.76Å
613	D	91.9	Very high	89.7	Confident	34 Å²	34	33 Å²	33	18%	0.182	16%	0.164	C	C	.	.	H	α-helix	trans	-69.9	-36.9	179.2	-169.8	56.9	0	0	0	112	K512 A608 S610 A615 R616 W617	K512-D613 VanDerWaalsContact CE-OD1 3.28Å; K512-D613 WeakPolarHBondContact CE-OD1 3.46Å; K512-D613 IonicContact NZ-OD1 3.82Å; K512-D613 PolarHBondContact NZ-OD1 2.59Å; A608-D613 HydrophobicContact CB-CB 4.4Å; S610-D613 PolarHBondContact O-N 3.24Å; S610-D613 PolarHBondContact OG-N 2.99Å; D613-A615 VanDerWaalsContact C-N 3.35Å; D613-A615 PolarHBondContact O-N 2.89Å; D613-R616 PolarHBondContact O-N 3.06Å; D613-W617 PolarHBondContact O-N 3.23Å; D613-W617 PolarHBondContact OD2-NE1 3.35Å
614	R	91.9	Very high	88.5	Confident	52 Å²	52	32.2 Å²	32.2	20%	0.196	16%	0.16	C	C	.	.	H	α-helix	trans	-55.3	-48.8	168.7	177.8	-179	-175.7	-109	12.4	111.4	Y586 S588 F589 A608 S610 R611 W617 I618	Y586-R614 WeakPolarHBondContact O-CD 3.27Å; Y586-R614 PolarHBondContact O-NE 2.86Å; S588-R614 PolarHBondContact O-NE 3.31Å; S588-R614 PolarHBondContact O-NH2 3.11Å; F589-R614 HydrophobicContact CD1-CG 4.3Å; A608-R614 HydrophobicContact CB-CB 3.95Å; S610-R614 WeakPolarHBondContact O-CB 3.45Å; S610-R614 PolarHBondContact O-N 3.44Å; R611-R614 WeakPolarHBondContact O-CB 3.46Å; R611-R614 PolarHBondContact O-N 3.05Å; R614-W617 PolarHBondContact O-N 3.02Å; R614-I618 HydrophobicContact CG-CD1 3.65Å; R614-I618 HydrophobicContact CG-CG1 4.35Å; R614-I618 WeakPolarHBondContact O-CB 3.24Å; R614-I618 VanDerWaalsContact O-CG1 3.24Å; R614-I618 WeakPolarHBondContact O-CG1 3.49Å; R614-I618 PolarHBondContact O-N 3.45Å
615	A	91.1	Very high	86.8	Confident	7 Å²	7	37.7 Å²	37.7	6%	0.058	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-42.1	178.6	0	0	0	0	0	111.8	R611 V612 D613 I618 T619 E667 W683	R611-A615 WeakPolarHBondContact O-CB 3.43Å; R611-A615 PolarHBondContact O-N 3.12Å; V612-A615 PolarHBondContact O-N 3.08Å; D613-A615 VanDerWaalsContact C-N 3.35Å; D613-A615 PolarHBondContact O-N 2.89Å; A615-I618 PolarHBondContact O-N 2.86Å; A615-T619 VanDerWaalsContact O-CB 3.29Å; A615-T619 WeakPolarHBondContact O-CB 3.41Å; A615-T619 PolarHBondContact O-N 2.79Å; A615-T619 PolarHBondContact O-OG1 2.96Å; A615-E667 HydrophobicContact CB-CB 4.34Å; A615-E667 HydrophobicContact CB-CG 3.86Å; A615-W683 HydrophobicContact CB-CH2 3.73Å; A615-W683 HydrophobicContact CB-CZ2 4.07Å
616	R	92.8	Very high	85	Confident	17 Å²	17	41.7 Å²	41.7	6%	0.064	20%	0.201	C	C	.	.	H	α-helix	trans	-59.1	-47.3	174.5	-75	172.8	70.8	158.8	-8.6	112.2	K512 V612 D613 A620 D651 E652 W683	K512-R616 HydrophobicContact CD-CB 4.44Å; V612-R616 HydrophobicContact CG1-CG 4.4Å; V612-R616 WeakPolarHBondContact O-CB 3.24Å; V612-R616 VanDerWaalsContact O-CG 3.27Å; V612-R616 WeakPolarHBondContact O-CG 3.38Å; V612-R616 PolarHBondContact O-N 2.84Å; D613-R616 PolarHBondContact O-N 3.06Å; R616-A620 WeakPolarHBondContact O-CB 3.2Å; R616-A620 PolarHBondContact O-N 2.66Å; R616-D651 WeakPolarHBondContact CB-OD2 3.48Å; R616-D651 IonicContact CZ-OD1 3.42Å; R616-D651 IonicContact CZ-OD2 2.88Å; R616-D651 IonicContact NE-OD1 3.93Å; R616-D651 IonicContact NE-OD2 3.25Å; R616-D651 PolarHBondContact NE-OD2 2.93Å; R616-D651 VanDerWaalsContact NH2-CG 3.29Å; R616-D651 IonicContact NH2-OD1 3.26Å; R616-D651 PolarHBondContact NH2-OD1 3.33Å; R616-D651 IonicContact NH2-OD2 2.73Å; R616-D651 PolarHBondContact NH2-OD2 2.97Å; R616-E652 IonicContact CZ-OE1 3.42Å; R616-E652 VanDerWaalsContact CZ-OE1 3.25Å; R616-E652 IonicContact NH1-OE1 2.94Å; R616-E652 PolarHBondContact NH1-OE1 3.2Å; R616-E652 IonicContact NH2-OE1 2.75Å; R616-E652 PolarHBondContact NH2-OE1 3.23Å; R616-W683 HydrophobicContact CG-CB 4.44Å; R616-W683 HydrophobicContact CG-CD2 3.54Å; R616-W683 HydrophobicContact CG-CE3 4.17Å; R616-W683 HydrophobicContact CG-CG 3.65Å; R616-W683 HydrophobicContact CG-CZ2 4.16Å
617	W	93.1	Very high	82.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-49.6	174.2	-80.5	111.1	0	0	0	113	K512 L516 L536 L538 F589 D613 R614 T619 A620 L621	K512-W617 HydrophobicContact CB-CE3 4.5Å; K512-W617 HydrophobicContact CB-CH2 4.3Å; K512-W617 HydrophobicContact CB-CZ3 4.07Å; K512-W617 HydrophobicContact CD-CD2 3.66Å; K512-W617 HydrophobicContact CD-CE3 3.76Å; K512-W617 HydrophobicContact CD-CG 4.12Å; K512-W617 HydrophobicContact CD-CH2 4.25Å; K512-W617 HydrophobicContact CD-CZ2 4.17Å; K512-W617 HydrophobicContact CD-CZ3 4.05Å; K512-W617 VanDerWaalsContact CE-CD2 3.43Å; K512-W617 VanDerWaalsContact CE-NE1 3.35Å; K512-W617 HydrophobicContact CG-CD2 4.4Å; K512-W617 HydrophobicContact CG-CE3 4.24Å; K512-W617 HydrophobicContact CG-CH2 3.92Å; K512-W617 HydrophobicContact CG-CZ2 4.09Å; K512-W617 HydrophobicContact CG-CZ3 4Å; L516-W617 HydrophobicContact CD1-CD2 4.06Å; L516-W617 HydrophobicContact CD1-CG 4.18Å; L516-W617 HydrophobicContact CD1-CZ2 4.39Å; L536-W617 HydrophobicContact CB-CH2 3.57Å; L536-W617 HydrophobicContact CB-CZ2 4.3Å; L536-W617 HydrophobicContact CB-CZ3 3.96Å; L536-W617 HydrophobicContact CD1-CE3 4.44Å; L536-W617 HydrophobicContact CD1-CH2 4.33Å; L536-W617 HydrophobicContact CD1-CZ3 4.13Å; L536-W617 HydrophobicContact CG-CH2 4.47Å; L538-W617 HydrophobicContact CB-CZ3 4.03Å; L538-W617 HydrophobicContact CD2-CE3 4.45Å; L538-W617 HydrophobicContact CD2-CZ3 4.32Å; F589-W617 HydrophobicContact CE1-CB 4.12Å; F589-W617 HydrophobicContact CZ-CB 3.91Å; F589-W617 HydrophobicContact CZ-CG 4.3Å; D613-W617 PolarHBondContact O-N 3.23Å; D613-W617 PolarHBondContact OD2-NE1 3.35Å; R614-W617 PolarHBondContact O-N 3.02Å; W617-T619 VanDerWaalsContact C-N 3.28Å; W617-T619 PolarHBondContact O-N 2.84Å; W617-A620 PolarHBondContact O-N 2.84Å; W617-L621 VanDerWaalsContact O-CB 3.3Å; W617-L621 WeakPolarHBondContact O-CB 3.38Å; W617-L621 WeakPolarHBondContact O-CD1 3.43Å; W617-L621 VanDerWaalsContact O-CG 3.23Å; W617-L621 WeakPolarHBondContact O-CG 3.22Å; W617-L621 PolarHBondContact O-N 3.21Å
618	I	90.8	Very high	80.5	Confident	15 Å²	15	49.9 Å²	49.9	8%	0.077	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-39.5	-178.4	-69.1	174.6	0	0	0	110.9	V567 F569 F589 R614 A615 K622	V567-I618 HydrophobicContact CG1-CG1 4.12Å; V567-I618 HydrophobicContact CG1-CG2 4.43Å; F569-I618 HydrophobicContact CE1-CD1 4.29Å; F569-I618 HydrophobicContact CE1-CG2 4.35Å; F589-I618 HydrophobicContact CB-CD1 4.19Å; F589-I618 HydrophobicContact CB-CG1 4.35Å; F589-I618 HydrophobicContact CD1-CG1 4.47Å; F589-I618 HydrophobicContact CG-CG1 4.28Å; R614-I618 HydrophobicContact CG-CD1 3.65Å; R614-I618 HydrophobicContact CG-CG1 4.35Å; R614-I618 WeakPolarHBondContact O-CB 3.24Å; R614-I618 VanDerWaalsContact O-CG1 3.24Å; R614-I618 WeakPolarHBondContact O-CG1 3.49Å; R614-I618 PolarHBondContact O-N 3.45Å; A615-I618 PolarHBondContact O-N 2.86Å; I618-K622 HydrophobicContact CG2-CD 3.9Å; I618-K622 WeakPolarHBondContact O-CB 3.44Å; I618-K622 VanDerWaalsContact O-CG 3.25Å; I618-K622 WeakPolarHBondContact O-CG 3.43Å; I618-K622 PolarHBondContact O-N 3.24Å
619	T	91.3	Very high	78.1	Confident	17 Å²	17	54.3 Å²	54.3	10%	0.104	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-53.3	178.8	-58.1	0	0	0	0	110.9	A615 W617 L621 K622 E623 Q665 Y672	A615-T619 VanDerWaalsContact O-CB 3.29Å; A615-T619 WeakPolarHBondContact O-CB 3.41Å; A615-T619 PolarHBondContact O-N 2.79Å; A615-T619 PolarHBondContact O-OG1 2.96Å; W617-T619 VanDerWaalsContact C-N 3.28Å; W617-T619 PolarHBondContact O-N 2.84Å; T619-L621 PolarHBondContact O-N 2.98Å; T619-K622 PolarHBondContact O-N 2.89Å; T619-E623 HydrophobicContact CG2-CG 4.41Å; T619-E623 WeakPolarHBondContact O-CG 3.47Å; T619-E623 PolarHBondContact O-N 3.2Å; T619-Q665 PolarHBondContact OG1-OE1 2.88Å; T619-Y672 HydrophobicContact CG2-CD1 4.1Å; T619-Y672 HydrophobicContact CG2-CD2 4.08Å; T619-Y672 HydrophobicContact CG2-CE1 3.81Å; T619-Y672 HydrophobicContact CG2-CE2 3.75Å; T619-Y672 HydrophobicContact CG2-CG 4.24Å
620	A	91	Very high	76.1	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-33.3	179.7	0	0	0	0	0	113	K512 L538 R616 W617	K512-A620 HydrophobicContact CB-CB 4.41Å; K512-A620 HydrophobicContact CD-CB 4.49Å; L538-A620 HydrophobicContact CD2-CB 3.62Å; R616-A620 WeakPolarHBondContact O-CB 3.2Å; R616-A620 PolarHBondContact O-N 2.66Å; W617-A620 PolarHBondContact O-N 2.84Å
621	L	90.4	Very high	74.3	Confident	13 Å²	13	56.4 Å²	56.4	7%	0.068	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.6	175.2	-70.8	167.5	0	0	0	114.2	L538 L543 V565 V567 F589 L591 W617 T619	L538-L621 HydrophobicContact CD1-CD2 3.79Å; L538-L621 HydrophobicContact CD2-CD2 3.72Å; L538-L621 HydrophobicContact CD2-CG 3.88Å; L538-L621 HydrophobicContact CG-CD2 4.35Å; L543-L621 HydrophobicContact CD2-CD2 4.03Å; V565-L621 HydrophobicContact CG1-CD2 4.22Å; V567-L621 HydrophobicContact CG2-CB 3.57Å; V567-L621 HydrophobicContact CG2-CD1 3.7Å; V567-L621 HydrophobicContact CG2-CG 4.22Å; F589-L621 HydrophobicContact CE2-CD1 3.91Å; F589-L621 HydrophobicContact CZ-CD1 4.44Å; L591-L621 HydrophobicContact CD1-CD1 4.31Å; L591-L621 HydrophobicContact CD1-CD2 4.48Å; W617-L621 VanDerWaalsContact O-CB 3.3Å; W617-L621 WeakPolarHBondContact O-CB 3.38Å; W617-L621 WeakPolarHBondContact O-CD1 3.43Å; W617-L621 VanDerWaalsContact O-CG 3.23Å; W617-L621 WeakPolarHBondContact O-CG 3.22Å; W617-L621 PolarHBondContact O-N 3.21Å; T619-L621 PolarHBondContact O-N 2.98Å
622	K	85.3	Confident	72.8	Confident	75 Å²	75	55.4 Å²	55.4	33%	0.326	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-28.8	-179.9	-76.2	179	178.5	-178.6	0	113.9	I618 T619 Q624 K625	I618-K622 HydrophobicContact CG2-CD 3.9Å; I618-K622 WeakPolarHBondContact O-CB 3.44Å; I618-K622 VanDerWaalsContact O-CG 3.25Å; I618-K622 WeakPolarHBondContact O-CG 3.43Å; I618-K622 PolarHBondContact O-N 3.24Å; T619-K622 PolarHBondContact O-N 2.89Å; K622-Q624 PolarHBondContact O-N 3.45Å; K622-Q624 VanDerWaalsContact O-N 3.09Å; K622-K625 PolarHBondContact O-N 3.17Å; K622-K625 VanDerWaalsContact O-N 3.08Å
623	E	72.6	Confident	71.7	Confident	37 Å²	37	55.8 Å²	55.8	17%	0.173	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-46.5	-40.2	-178.1	-83.5	177.9	178.9	0	0	114.6	K511 T619 K625 Q626 E627 Y672	K511-E623 IonicContact NZ-OE2 2.8Å; K511-E623 PolarHBondContact NZ-OE2 2.85Å; T619-E623 HydrophobicContact CG2-CG 4.41Å; T619-E623 WeakPolarHBondContact O-CG 3.47Å; T619-E623 PolarHBondContact O-N 3.2Å; E623-K625 PolarHBondContact O-N 2.73Å; E623-Q626 WeakPolarHBondContact O-CA 3.4Å; E623-Q626 PolarHBondContact O-N 3.07Å; E623-E627 PolarHBondContact O-N 2.79Å; E623-Y672 WeakPolarHBondContact OE1-CE2 3.43Å; E623-Y672 PolarHBondContact OE1-OH 2.95Å
624	Q	62.3	Low	70.5	Confident	45 Å²	45	58.7 Å²	58.7	21%	0.21	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-59.2	-23.7	-175.6	-164.4	-127.9	-0.8	0	0	112.8	L562 D563 K622 Q626	L562-Q624 VanDerWaalsContact C-OE1 3.3Å; L562-Q624 HydrophobicContact CB-CG 4.25Å; L562-Q624 HydrophobicContact CD1-CB 4.2Å; L562-Q624 HydrophobicContact CD1-CG 4.26Å; D563-Q624 PolarHBondContact OD1-NE2 2.86Å; K622-Q624 PolarHBondContact O-N 3.45Å; K622-Q624 VanDerWaalsContact O-N 3.09Å; Q624-Q626 VanDerWaalsContact C-N 3.28Å; Q624-Q626 PolarHBondContact O-N 3.09Å
625	K	53.8	Low	69.7	Low	125 Å²	125	60.1 Å²	60.1	54%	0.543	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-83.6	0.3	175.6	-58.5	-172.5	-177	-179.1	0	113.8	V565 K622 E623	V565-K625 PolarHBondContact O-NZ 3.48Å; K622-K625 PolarHBondContact O-N 3.17Å; K622-K625 VanDerWaalsContact O-N 3.08Å; E623-K625 PolarHBondContact O-N 2.73Å
626	Q	50.8	Low	69.4	Low	97 Å²	97	62.4 Å²	62.4	45%	0.453	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-5.7	177.8	-63.1	-174.2	-8.1	0	0	113.3	E623 Q624 G628 V629	E623-Q626 WeakPolarHBondContact O-CA 3.4Å; E623-Q626 PolarHBondContact O-N 3.07Å; Q624-Q626 VanDerWaalsContact C-N 3.28Å; Q624-Q626 PolarHBondContact O-N 3.09Å; Q626-G628 VanDerWaalsContact C-N 3.26Å; Q626-G628 PolarHBondContact O-N 2.85Å; Q626-V629 PolarHBondContact O-N 2.82Å
627	E	44.1	Very low	69.2	Low	115 Å²	115	63.8 Å²	63.8	54%	0.537	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	81.5	174.5	-73.6	177.9	-157.8	0	0	110.7	K511 E623	K511-E627 WeakPolarHBondContact CE-OE1 3.45Å; K511-E627 IonicContact NZ-OE1 2.66Å; K511-E627 PolarHBondContact NZ-OE1 2.83Å; E623-E627 PolarHBondContact O-N 2.79Å
628	G	42.8	Very low	69.2	Low	79 Å²	79	64 Å²	64	81%	0.814	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	142.5	-16.2	-174.5	0	0	0	0	0	114.1	Q626	Q626-G628 VanDerWaalsContact C-N 3.26Å; Q626-G628 PolarHBondContact O-N 2.85Å
629	V	41.8	Very low	69.3	Low	95 Å²	95	64 Å²	64	58%	0.576	37%	0.366	S	S	*	.			trans	-97.4	117.4	175.1	-178.4	0	0	0	0	109.3	Q626 T631	Q626-V629 PolarHBondContact O-N 2.82Å; V629-T631 VanDerWaalsContact C-N 3.34Å; V629-T631 PolarHBondContact O-N 2.59Å
630	F	48	Very low	69.5	Low	192 Å²	192	64 Å²	64	84%	0.842	37%	0.365	S	S	*	.			trans	-64.6	96.1	163.6	-93.9	-92.6	0	0	0	108.9	C632	F630-C632 PolarHBondContact O-N 3.47Å
631	T	54.3	Low	69.6	Low	38 Å²	38	63.9 Å²	63.9	23%	0.233	36%	0.364	C	S	.	.			trans	-58.5	121.6	164.1	49.7	0	0	0	0	107.9	V629 T633 R681	V629-T631 VanDerWaalsContact C-N 3.34Å; V629-T631 PolarHBondContact O-N 2.59Å; T631-T633 PolarHBondContact O-N 3.41Å; T631-R681 PolarHBondContact OG1-NH2 3.3Å
632	C	58.1	Low	69.7	Low	95 Å²	95	64.7 Å²	64.7	64%	0.642	37%	0.369	S	S	*	.			trans	-59.3	115.4	177.4	-168.3	0	0	0	0	109.1	F630	F630-C632 PolarHBondContact O-N 3.47Å
633	T	66.4	Low	70	Confident	20 Å²	20	66.7 Å²	66.7	12%	0.123	38%	0.378	C	S	.	.			trans	-92.8	-11.9	-179	41.1	0	0	0	0	112.5	T631 G635 L636 I662	T631-T633 PolarHBondContact O-N 3.41Å; T633-G635 PolarHBondContact O-N 3.09Å; T633-L636 WeakPolarHBondContact O-CB 3.17Å; T633-L636 PolarHBondContact O-N 3.22Å; T633-L636 VanDerWaalsContact O-N 3.13Å; T633-I662 HydrophobicContact CG2-CD1 3.96Å; T633-I662 HydrophobicContact CG2-CG2 4.33Å
634	D	67.4	Low	70.9	Confident	95 Å²	95	68.7 Å²	68.7	51%	0.508	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	122.3	-179	-58.5	-39.7	0	0	0	109.2	M702 K706	D634-M702 WeakPolarHBondContact OD1-CE 3.38Å; D634-K706 IonicContact OD1-NZ 3.7Å; D634-K706 PolarHBondContact OD1-NZ 3.35Å; D634-K706 VanDerWaalsContact OD1-NZ 3.15Å
635	G	74.2	Confident	72.4	Confident	81 Å²	81	67.8 Å²	67.8	84%	0.835	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-3.9	-175.3	0	0	0	0	0	116.1	T633	T633-G635 PolarHBondContact O-N 3.09Å
636	L	85.4	Confident	74	Confident	56 Å²	56	67.1 Å²	67.1	29%	0.293	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-77.8	146	173	-64.1	-175.7	0	0	0	111.8	T633 Q638 I662 L664	T633-L636 WeakPolarHBondContact O-CB 3.17Å; T633-L636 PolarHBondContact O-N 3.22Å; T633-L636 VanDerWaalsContact O-N 3.13Å; L636-Q638 PolarHBondContact O-N 2.84Å; L636-I662 HydrophobicContact CB-CG2 3.59Å; L636-I662 HydrophobicContact CD1-CG2 4.11Å; L636-I662 HydrophobicContact CG-CG2 4.49Å; L636-L664 HydrophobicContact CD1-CD2 3.55Å
637	P	89.9	Confident	75.8	Confident	45 Å²	45	65.5 Å²	65.5	29%	0.292	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-68.4	132.3	-175.5	26.7	-33.5	0	0	0	111.8	Y639 V663 E691	P637-Y639 HydrophobicContact CB-CE2 4.27Å; P637-V663 HydrophobicContact CG-CB 4.34Å; P637-V663 PolarHBondContact O-N 2.87Å; P637-E691 HydrophobicContact CB-CG 4.44Å
638	Q	92.4	Very high	77.8	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.028	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	141.9	178.6	-63.2	-179	20.4	0	0	110.7	L636 V660 V661 M676 E691 I692 M698 N701	L636-Q638 PolarHBondContact O-N 2.84Å; Q638-V660 HydrophobicContact CB-CG1 4.21Å; Q638-V661 CarbonylContact C-O 3.57Å; Q638-V661 WeakPolarHBondContact CA-O 3.48Å; Q638-M676 HydrophobicContact CB-CE 4.44Å; Q638-M676 HydrophobicContact CG-CE 3.83Å; Q638-M676 VanDerWaalsContact OE1-CE 3.26Å; Q638-E691 WeakPolarHBondContact O-CA 3.45Å; Q638-I692 HydrophobicContact CB-CB 4.32Å; Q638-I692 HydrophobicContact CB-CD1 4.17Å; Q638-I692 HydrophobicContact CB-CG1 4.48Å; Q638-I692 PolarHBondContact O-N 3.4Å; Q638-M698 HydrophobicContact CB-CE 4.47Å; Q638-M698 HydrophobicContact CB-CG 4.4Å; Q638-M698 HydrophobicContact CG-CE 4.05Å; Q638-M698 HydrophobicContact CG-CG 4.31Å; Q638-M698 PolarHBondContact NE2-O 2.91Å; Q638-N701 PolarHBondContact OE1-ND2 2.8Å
639	Y	93.6	Very high	79.9	Confident	14 Å²	14	67.6 Å²	67.6	6%	0.055	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.1	-178	-86.9	-116.5	0	0	0	110.6	P637 V660 V661 V663 K666 A689 M690 E691	P637-Y639 HydrophobicContact CB-CE2 4.27Å; Y639-V660 WeakPolarHBondContact O-CA 3.23Å; Y639-V661 PolarHBondContact N-O 2.9Å; Y639-V661 PolarHBondContact O-N 3.41Å; Y639-V663 HydrophobicContact CD2-CB 4.26Å; Y639-V663 HydrophobicContact CD2-CG2 3.46Å; Y639-V663 VanDerWaalsContact CD2-CG2 3.46Å; Y639-V663 HydrophobicContact CE2-CB 4.43Å; Y639-V663 HydrophobicContact CE2-CG2 3.91Å; Y639-V663 HydrophobicContact CG-CG2 3.85Å; Y639-K666 PolarHBondContact OH-NZ 3.11Å; Y639-A689 HydrophobicContact CD1-CB 3.97Å; Y639-M690 CarbonylContact C-O 3.34Å; Y639-M690 VanDerWaalsContact CA-O 3.24Å; Y639-M690 WeakPolarHBondContact CA-O 3.44Å; Y639-E691 HydrophobicContact CD2-CB 4.17Å; Y639-E691 HydrophobicContact CD2-CG 4.01Å; Y639-E691 HydrophobicContact CE1-CB 4.15Å; Y639-E691 HydrophobicContact CE2-CB 3.72Å; Y639-E691 HydrophobicContact CE2-CG 3.49Å; Y639-E691 VanDerWaalsContact CE2-CG 3.49Å; Y639-E691 WeakPolarHBondContact CE2-OE2 3.34Å; Y639-E691 PolarHBondContact OH-OE2 2.84Å
640	E	94	Very high	81.9	Confident	18 Å²	18	65.4 Å²	65.4	8%	0.084	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.7	171.2	-174.3	-172.6	114.7	0	0	109.9	S82 S85 T642 A689 M690 I692	S82-E640 WeakPolarHBondContact CA-OE2 3.3Å; S82-E640 WeakPolarHBondContact CB-OE2 3.32Å; S82-E640 PolarHBondContact OG-OE2 3.17Å; S85-E640 PolarHBondContact OG-OE1 3.38Å; E640-T642 PolarHBondContact O-N 3.16Å; E640-A689 CarbonylContact O-C 3.52Å; E640-A689 WeakPolarHBondContact O-CA 3.33Å; E640-A689 WeakPolarHBondContact O-CB 3.26Å; E640-M690 PolarHBondContact N-O 3.45Å; E640-M690 PolarHBondContact O-N 2.86Å; E640-I692 HydrophobicContact CB-CD1 4.14Å; E640-I692 HydrophobicContact CB-CG1 4.1Å
641	V	94.5	Very high	83.9	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	110.4	-179.4	-179.2	0	0	0	0	110.4	K643 L655 R656 Q657 A658 E659 V661	V641-K643 WeakPolarHBondContact CG1-O 3.18Å; V641-L655 HydrophobicContact CG1-CB 3.97Å; V641-L655 HydrophobicContact CG2-CB 4.04Å; V641-L655 HydrophobicContact CG2-CD1 3.98Å; V641-L655 HydrophobicContact CG2-CD2 4.14Å; V641-L655 HydrophobicContact CG2-CG 4.28Å; V641-R656 VanDerWaalsContact CB-O 3.3Å; V641-R656 WeakPolarHBondContact CB-O 3.45Å; V641-R656 VanDerWaalsContact CG1-O 3.23Å; V641-R656 WeakPolarHBondContact CG1-O 3.25Å; V641-Q657 CarbonylContact O-C 3.33Å; V641-Q657 WeakPolarHBondContact O-CA 3.43Å; V641-A658 PolarHBondContact O-N 3.41Å; V641-E659 HydrophobicContact CB-CB 4.42Å; V641-E659 HydrophobicContact CG2-CB 4.09Å; V641-E659 WeakPolarHBondContact CG2-O 3.42Å; V641-E659 PolarHBondContact N-O 2.88Å; V641-V661 HydrophobicContact CG2-CG2 3.98Å
642	T	92.5	Very high	85.8	Confident	30 Å²	30	56.1 Å²	56.1	18%	0.184	32%	0.319	C	S	.	.	S	Bend	trans	-83.8	-24	178.5	63	0	0	0	0	113.5	E640 Q657 C688 M690	E640-T642 PolarHBondContact O-N 3.16Å; T642-Q657 PolarHBondContact O-NE2 2.9Å; T642-Q657 VanDerWaalsContact O-NE2 3.16Å; T642-C688 PolarHBondContact N-O 2.8Å; T642-C688 PolarHBondContact OG1-O 2.89Å; T642-M690 HydrophobicContact CG2-CB 4.25Å; T642-M690 HydrophobicContact CG2-CE 3.73Å; T642-M690 HydrophobicContact CG2-CG 3.65Å; T642-M690 HydrophobicContact CG2-SD 3.98Å
643	K	91.3	Very high	87.3	Confident	117 Å²	117	51.7 Å²	51.7	51%	0.509	29%	0.289	S	S	.	.	S	Bend	trans	-137.2	129.2	-177.2	-58.6	167.2	-162.3	151.7	0	109.6	V641 Y645 N687 C688	V641-K643 WeakPolarHBondContact CG1-O 3.18Å; K643-Y645 PolarHBondContact O-N 3.11Å; K643-N687 PolarHBondContact NZ-O 3.02Å; K643-C688 HydrophobicContact CB-CB 4.28Å; K643-C688 PolarHBondContact N-O 2.93Å
644	T	91.6	Very high	88.5	Confident	79 Å²	79	51.5 Å²	51.5	49%	0.485	29%	0.291	S	S	.	.			trans	-57	129.9	170.9	-61.5	0	0	0	0	110.7	M646 L655 Q657	T644-M646 HydrophobicContact CG2-CE 3.44Å; T644-M646 VanDerWaalsContact CG2-CE 3.44Å; T644-L655 CarbonylContact C-O 3.55Å; T644-L655 VanDerWaalsContact CA-O 3.31Å; T644-L655 WeakPolarHBondContact CA-O 3.37Å; T644-L655 WeakPolarHBondContact CG2-O 3.4Å; T644-Q657 PolarHBondContact OG1-N 3.2Å; T644-Q657 VanDerWaalsContact OG1-N 3.17Å
645	Y	92.4	Very high	89.6	Confident	27 Å²	27	47 Å²	47	11%	0.106	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-121.8	128.6	178.4	177.7	-105	0	0	0	110.3	K643 E652 L653 L655 W670 F684 P685	K643-Y645 PolarHBondContact O-N 3.11Å; Y645-E652 HydrophobicContact CE1-CB 4.45Å; Y645-E652 PolarHBondContact OH-OE2 2.66Å; Y645-E652 VanDerWaalsContact OH-OE2 3.07Å; Y645-L653 WeakPolarHBondContact CD1-O 3.36Å; Y645-L655 PolarHBondContact N-O 2.82Å; Y645-L655 PolarHBondContact O-N 3.3Å; Y645-W670 WeakPolarHBondContact OH-CH2 3.37Å; Y645-F684 HydrophobicContact CD1-CB 4.37Å; Y645-P685 HydrophobicContact CD2-CG 4.04Å; Y645-P685 HydrophobicContact CE2-CG 3.55Å; Y645-P685 VanDerWaalsContact CZ-CD 3.43Å
646	M	88.6	Confident	90.4	Very high	111 Å²	111	48.5 Å²	48.5	55%	0.547	25%	0.247	S	C	.	.			trans	-100.7	128.2	175.4	-67.8	-66.2	122.2	0	0	109.3	T644	T644-M646 HydrophobicContact CG2-CE 3.44Å; T644-M646 VanDerWaalsContact CG2-CE 3.44Å
647	P	88.9	Confident	90.6	Very high	63 Å²	63	50.8 Å²	50.8	41%	0.409	26%	0.256	S	S	.	.			trans	-73.1	142.3	-179	32.1	-32.6	0	0	0	110.1	E652	P647-E652 HydrophobicContact CB-CB 3.63Å; P647-E652 WeakPolarHBondContact CB-O 3.24Å
648	K	86.4	Confident	90.5	Very high	171 Å²	171	52.2 Å²	52.2	74%	0.743	27%	0.272	S	S	*	.	S	Bend	trans	-105.3	-35.1	-179.9	-58.9	174.6	-176.4	174.2	0	111.4	E652	K648-E652 WeakPolarHBondContact CA-OE2 3.42Å; K648-E652 WeakPolarHBondContact CB-OE2 3.49Å; K648-E652 PolarHBondContact N-OE2 2.83Å
649	D	86.2	Confident	90.4	Very high	66 Å²	66	52.8 Å²	52.8	35%	0.353	28%	0.275	S	S	.	.	S	Bend	trans	-116.8	158.4	177.6	-81.1	-58.7	0	0	0	112.3	D651 E652	D649-D651 WeakPolarHBondContact CB-OD1 3.4Å; D649-D651 PolarHBondContact O-N 3.25Å; D649-E652 HydrophobicContact CB-CG 4.3Å; D649-E652 PolarHBondContact N-OE2 2.86Å; D649-E652 VanDerWaalsContact N-OE2 3.17Å; D649-E652 WeakPolarHBondContact O-CB 3.38Å; D649-E652 PolarHBondContact O-N 3.06Å; D649-E652 VanDerWaalsContact O-N 3.09Å
650	P	84.7	Confident	90.3	Very high	50 Å²	50	53.4 Å²	53.4	33%	0.325	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-14	-169.6	-13.5	28.4	0	0	0	114.8	L510 K511 E652	L510-P650 HydrophobicContact CD2-CG 3.85Å; L510-P650 HydrophobicContact CG-CG 4.28Å; L510-P650 WeakPolarHBondContact O-CB 3.35Å; K511-P650 CarbonylContact O-C 3.5Å; P650-E652 VanDerWaalsContact C-N 3.35Å
651	D	89.7	Confident	90.2	Very high	14 Å²	14	52.5 Å²	52.5	8%	0.075	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4.6	174.5	57.1	-33.2	0	0	0	112.9	K511 K512 R616 D649 W683	K511-D651 PolarHBondContact O-N 3.39Å; K512-D651 HydrophobicContact CB-CB 4.43Å; K512-D651 HydrophobicContact CD-CB 4.46Å; K512-D651 VanDerWaalsContact CD-OD2 3.31Å; K512-D651 WeakPolarHBondContact CD-OD2 3.49Å; K512-D651 WeakPolarHBondContact CE-OD2 3.21Å; K512-D651 HydrophobicContact CG-CB 4.44Å; K512-D651 IonicContact NZ-OD1 3.72Å; K512-D651 IonicContact NZ-OD2 3.36Å; K512-D651 PolarHBondContact NZ-OD2 2.91Å; R616-D651 WeakPolarHBondContact CB-OD2 3.48Å; R616-D651 IonicContact CZ-OD1 3.42Å; R616-D651 IonicContact CZ-OD2 2.88Å; R616-D651 IonicContact NE-OD1 3.93Å; R616-D651 IonicContact NE-OD2 3.25Å; R616-D651 PolarHBondContact NE-OD2 2.93Å; R616-D651 VanDerWaalsContact NH2-CG 3.29Å; R616-D651 IonicContact NH2-OD1 3.26Å; R616-D651 PolarHBondContact NH2-OD1 3.33Å; R616-D651 IonicContact NH2-OD2 2.73Å; R616-D651 PolarHBondContact NH2-OD2 2.97Å; D649-D651 WeakPolarHBondContact CB-OD1 3.4Å; D649-D651 PolarHBondContact O-N 3.25Å; D651-W683 PolarHBondContact O-N 2.96Å
652	E	92.6	Very high	90.1	Very high	20 Å²	20	52.6 Å²	52.6	9%	0.093	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-99	136.8	-178.2	-61.1	180	166.6	0	0	113.1	R616 Y645 P647 K648 D649 P650 W670 W683	R616-E652 IonicContact CZ-OE1 3.42Å; R616-E652 VanDerWaalsContact CZ-OE1 3.25Å; R616-E652 IonicContact NH1-OE1 2.94Å; R616-E652 PolarHBondContact NH1-OE1 3.2Å; R616-E652 IonicContact NH2-OE1 2.75Å; R616-E652 PolarHBondContact NH2-OE1 3.23Å; Y645-E652 HydrophobicContact CE1-CB 4.45Å; Y645-E652 PolarHBondContact OH-OE2 2.66Å; Y645-E652 VanDerWaalsContact OH-OE2 3.07Å; P647-E652 HydrophobicContact CB-CB 3.63Å; P647-E652 WeakPolarHBondContact CB-O 3.24Å; K648-E652 WeakPolarHBondContact CA-OE2 3.42Å; K648-E652 WeakPolarHBondContact CB-OE2 3.49Å; K648-E652 PolarHBondContact N-OE2 2.83Å; D649-E652 HydrophobicContact CB-CG 4.3Å; D649-E652 PolarHBondContact N-OE2 2.86Å; D649-E652 VanDerWaalsContact N-OE2 3.17Å; D649-E652 WeakPolarHBondContact O-CB 3.38Å; D649-E652 PolarHBondContact O-N 3.06Å; D649-E652 VanDerWaalsContact O-N 3.09Å; P650-E652 VanDerWaalsContact C-N 3.35Å; E652-W670 HydrophobicContact CG-CZ3 4.22Å; E652-W670 VanDerWaalsContact OE1-CH2 3.26Å; E652-W670 WeakPolarHBondContact OE1-CH2 3.31Å; E652-W683 CarbonylContact C-O 3.56Å; E652-W683 WeakPolarHBondContact CA-O 3.4Å; E652-W683 WeakPolarHBondContact CB-O 3.24Å
653	L	90.8	Very high	90.2	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	27%	0.269	C	S	.	.			trans	-87.1	112.9	178.7	-176.5	60.7	0	0	0	109.9	Y645 L655 V661 R675 E680 W683 F684	Y645-L653 WeakPolarHBondContact CD1-O 3.36Å; L653-L655 HydrophobicContact CD2-CD2 3.89Å; L653-L655 HydrophobicContact CG-CD2 3.85Å; L653-L655 HydrophobicContact CG-CG 4.24Å; L653-V661 HydrophobicContact CD2-CG1 4.01Å; L653-R675 HydrophobicContact CD1-CB 4.21Å; L653-R675 HydrophobicContact CD2-CB 4.23Å; L653-E680 HydrophobicContact CD1-CB 4.11Å; L653-E680 WeakPolarHBondContact CD1-O 3.27Å; L653-W683 PolarHBondContact N-O 3.09Å; L653-F684 HydrophobicContact CD2-CD1 4.23Å
654	G	90.9	Very high	90.1	Very high	16 Å²	16	48.4 Å²	48.4	17%	0.165	26%	0.258	C	S	.	.			trans	-67.1	137	168.9	0	0	0	0	0	111.5	R675	G654-R675 PolarHBondContact O-NH1 2.73Å
655	L	91.9	Very high	90	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-136.5	140	-173.7	-65.1	174	0	0	0	111.4	V641 T644 Y645 L653 E659 V661 R675 F684	V641-L655 HydrophobicContact CG1-CB 3.97Å; V641-L655 HydrophobicContact CG2-CB 4.04Å; V641-L655 HydrophobicContact CG2-CD1 3.98Å; V641-L655 HydrophobicContact CG2-CD2 4.14Å; V641-L655 HydrophobicContact CG2-CG 4.28Å; T644-L655 CarbonylContact C-O 3.55Å; T644-L655 VanDerWaalsContact CA-O 3.31Å; T644-L655 WeakPolarHBondContact CA-O 3.37Å; T644-L655 WeakPolarHBondContact CG2-O 3.4Å; Y645-L655 PolarHBondContact N-O 2.82Å; Y645-L655 PolarHBondContact O-N 3.3Å; L653-L655 HydrophobicContact CD2-CD2 3.89Å; L653-L655 HydrophobicContact CG-CD2 3.85Å; L653-L655 HydrophobicContact CG-CG 4.24Å; L655-E659 WeakPolarHBondContact CA-OE2 3.29Å; L655-V661 HydrophobicContact CD1-CG2 4.18Å; L655-V661 HydrophobicContact CD2-CG2 3.42Å; L655-V661 VanDerWaalsContact CD2-CG2 3.42Å; L655-V661 HydrophobicContact CG-CG2 4.46Å; L655-R675 HydrophobicContact CD2-CG 4.36Å; L655-F684 HydrophobicContact CD1-CB 3.7Å; L655-F684 HydrophobicContact CD1-CD1 4.1Å; L655-F684 HydrophobicContact CD1-CD2 3.62Å; L655-F684 HydrophobicContact CD1-CE2 4.18Å; L655-F684 HydrophobicContact CD1-CG 3.55Å
656	R	90.2	Very high	89.9	Confident	111 Å²	111	52 Å²	52	42%	0.419	27%	0.268	S	S	.	.			trans	-107.4	150.4	173.1	-53.8	176.8	173.8	-133.7	-8	110.3	E232 V641 E659	E232-R656 IonicContact OE1-CZ 3.61Å; E232-R656 IonicContact OE1-NH1 2.68Å; E232-R656 PolarHBondContact OE1-NH1 3.47Å; E232-R656 IonicContact OE1-NH2 2.7Å; E232-R656 PolarHBondContact OE1-NH2 2.89Å; V641-R656 VanDerWaalsContact CB-O 3.3Å; V641-R656 WeakPolarHBondContact CB-O 3.45Å; V641-R656 VanDerWaalsContact CG1-O 3.23Å; V641-R656 WeakPolarHBondContact CG1-O 3.25Å; R656-E659 HydrophobicContact CB-CG 3.97Å; R656-E659 WeakPolarHBondContact CB-OE1 3.48Å; R656-E659 WeakPolarHBondContact CD-OE1 3.44Å; R656-E659 VanDerWaalsContact CG-OE1 3.31Å; R656-E659 WeakPolarHBondContact CG-OE1 3.33Å; R656-E659 PolarHBondContact N-OE2 2.8Å; R656-E659 VanDerWaalsContact O-CB 3.29Å; R656-E659 WeakPolarHBondContact O-CB 3.37Å; R656-E659 WeakPolarHBondContact O-CG 3.43Å; R656-E659 PolarHBondContact O-N 3.37Å; R656-E659 VanDerWaalsContact O-N 3.11Å
657	Q	90.3	Very high	89.9	Confident	105 Å²	105	49 Å²	49	49%	0.491	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	139.6	174.4	-170.2	171.2	24	0	0	112	V641 T642 T644 E659	V641-Q657 CarbonylContact O-C 3.33Å; V641-Q657 WeakPolarHBondContact O-CA 3.43Å; T642-Q657 PolarHBondContact O-NE2 2.9Å; T642-Q657 VanDerWaalsContact O-NE2 3.16Å; T644-Q657 PolarHBondContact OG1-N 3.2Å; T644-Q657 VanDerWaalsContact OG1-N 3.17Å; Q657-E659 PolarHBondContact O-N 3.37Å
658	A	87.6	Confident	89.9	Confident	75 Å²	75	51.8 Å²	51.8	62%	0.62	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	13.5	-173.6	0	0	0	0	0	116.3	V641	V641-A658 PolarHBondContact O-N 3.41Å
659	E	89.9	Confident	90.1	Very high	18 Å²	18	50.4 Å²	50.4	8%	0.084	26%	0.257	C	S	.	.			trans	-72.1	159.6	159.2	-69	177.3	169.7	0	0	111	V641 L655 R656 Q657 R675 R677	V641-E659 HydrophobicContact CB-CB 4.42Å; V641-E659 HydrophobicContact CG2-CB 4.09Å; V641-E659 WeakPolarHBondContact CG2-O 3.42Å; V641-E659 PolarHBondContact N-O 2.88Å; L655-E659 WeakPolarHBondContact CA-OE2 3.29Å; R656-E659 HydrophobicContact CB-CG 3.97Å; R656-E659 WeakPolarHBondContact CB-OE1 3.48Å; R656-E659 WeakPolarHBondContact CD-OE1 3.44Å; R656-E659 VanDerWaalsContact CG-OE1 3.31Å; R656-E659 WeakPolarHBondContact CG-OE1 3.33Å; R656-E659 PolarHBondContact N-OE2 2.8Å; R656-E659 VanDerWaalsContact O-CB 3.29Å; R656-E659 WeakPolarHBondContact O-CB 3.37Å; R656-E659 WeakPolarHBondContact O-CG 3.43Å; R656-E659 PolarHBondContact O-N 3.37Å; R656-E659 VanDerWaalsContact O-N 3.11Å; Q657-E659 PolarHBondContact O-N 3.37Å; E659-R675 WeakPolarHBondContact OE2-CD 3.5Å; E659-R677 IonicContact OE1-CZ 2.74Å; E659-R677 IonicContact OE1-NH1 3.57Å; E659-R677 PolarHBondContact OE1-NH1 3.39Å; E659-R677 IonicContact OE1-NH2 3.99Å; E659-R677 PolarHBondContact OE1-NH2 3.03Å; E659-R677 IonicContact OE2-NH2 2.93Å
660	V	91.3	Very high	90.4	Very high	26 Å²	26	49.8 Å²	49.8	16%	0.158	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.1	175.4	-167.1	0	0	0	0	110.3	Q638 Y639 M676 I692	Q638-V660 HydrophobicContact CB-CG1 4.21Å; Y639-V660 WeakPolarHBondContact O-CA 3.23Å; V660-M676 HydrophobicContact CB-CE 4.05Å; V660-M676 HydrophobicContact CG1-CE 3.48Å; V660-M676 VanDerWaalsContact CG1-CE 3.48Å; V660-M676 PolarHBondContact O-N 3.12Å; V660-I692 HydrophobicContact CG1-CD1 3.63Å; V660-I692 HydrophobicContact CG2-CD1 4.33Å
661	V	92.7	Very high	90.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.7	-175.4	-168.6	0	0	0	0	109.4	Q638 Y639 V641 L653 L655 E674 F684	Q638-V661 CarbonylContact C-O 3.57Å; Q638-V661 WeakPolarHBondContact CA-O 3.48Å; Y639-V661 PolarHBondContact N-O 2.9Å; Y639-V661 PolarHBondContact O-N 3.41Å; V641-V661 HydrophobicContact CG2-CG2 3.98Å; L653-V661 HydrophobicContact CD2-CG1 4.01Å; L655-V661 HydrophobicContact CD1-CG2 4.18Å; L655-V661 HydrophobicContact CD2-CG2 3.42Å; L655-V661 VanDerWaalsContact CD2-CG2 3.42Å; L655-V661 HydrophobicContact CG-CG2 4.46Å; V661-E674 WeakPolarHBondContact CA-O 3.45Å; V661-E674 WeakPolarHBondContact CG1-O 3.28Å; V661-F684 HydrophobicContact CB-CE1 4.47Å; V661-F684 HydrophobicContact CB-CZ 4.25Å; V661-F684 HydrophobicContact CG1-CE1 3.7Å; V661-F684 HydrophobicContact CG1-CZ 3.93Å
662	I	92.4	Very high	91.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.2	171.3	-55.3	176.1	0	0	0	107.3	T633 L636 L664 G673 E674 M676 M702 M705	T633-I662 HydrophobicContact CG2-CD1 3.96Å; T633-I662 HydrophobicContact CG2-CG2 4.33Å; L636-I662 HydrophobicContact CB-CG2 3.59Å; L636-I662 HydrophobicContact CD1-CG2 4.11Å; L636-I662 HydrophobicContact CG-CG2 4.49Å; I662-L664 HydrophobicContact CG2-CD2 4.36Å; I662-G673 CarbonylContact O-C 3.56Å; I662-G673 WeakPolarHBondContact O-CA 3.46Å; I662-E674 PolarHBondContact N-O 2.8Å; I662-E674 PolarHBondContact O-N 2.82Å; I662-M676 HydrophobicContact CD1-CE 4.49Å; I662-M676 HydrophobicContact CD1-CG 3.98Å; I662-M676 HydrophobicContact CD1-SD 3.99Å; I662-M676 HydrophobicContact CG1-CE 4.03Å; I662-M676 HydrophobicContact CG1-CG 3.79Å; I662-M676 HydrophobicContact CG1-SD 4.06Å; I662-M702 HydrophobicContact CD1-SD 3.98Å; I662-M705 HydrophobicContact CD1-CE 4.13Å; I662-M705 HydrophobicContact CD1-SD 4.07Å
663	V	92.9	Very high	91	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.048	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	122.8	-178.5	175.3	0	0	0	0	109.9	P637 Y639 Q665 C671 F684	P637-V663 HydrophobicContact CG-CB 4.34Å; P637-V663 PolarHBondContact O-N 2.87Å; Y639-V663 HydrophobicContact CD2-CB 4.26Å; Y639-V663 HydrophobicContact CD2-CG2 3.46Å; Y639-V663 VanDerWaalsContact CD2-CG2 3.46Å; Y639-V663 HydrophobicContact CE2-CB 4.43Å; Y639-V663 HydrophobicContact CE2-CG2 3.91Å; Y639-V663 HydrophobicContact CG-CG2 3.85Å; V663-Q665 WeakPolarHBondContact CG1-O 3.42Å; V663-C671 HydrophobicContact CG1-CB 4.14Å; V663-C671 HydrophobicContact CG2-CB 4.18Å; V663-F684 HydrophobicContact CG2-CZ 3.95Å
664	L	90.1	Very high	91.1	Very high	51 Å²	51	46.8 Å²	46.8	27%	0.267	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-32.4	-177.4	-56.1	179.4	0	0	0	111.9	L636 I662 Y672 E674	L636-L664 HydrophobicContact CD1-CD2 3.55Å; I662-L664 HydrophobicContact CG2-CD2 4.36Å; L664-Y672 HydrophobicContact CB-CD1 3.9Å; L664-Y672 HydrophobicContact CB-CE1 4.22Å; L664-Y672 HydrophobicContact CD1-CD1 4.23Å; L664-Y672 HydrophobicContact CD1-CE1 3.77Å; L664-Y672 PolarHBondContact N-O 2.84Å; L664-E674 HydrophobicContact CD1-CB 4.37Å
665	Q	90	Very high	91	Very high	65 Å²	65	47 Å²	47	30%	0.304	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	151.6	174.3	173.1	179.4	-3	0	0	109.9	T619 V663 E667 C671 Y672 W683	T619-Q665 PolarHBondContact OG1-OE1 2.88Å; V663-Q665 WeakPolarHBondContact CG1-O 3.42Å; Q665-E667 PolarHBondContact NE2-OE2 2.95Å; Q665-C671 WeakPolarHBondContact O-CA 3.49Å; Q665-Y672 PolarHBondContact N-O 2.86Å; Q665-Y672 VanDerWaalsContact N-O 3.11Å; Q665-Y672 PolarHBondContact O-N 3.27Å; Q665-W683 HydrophobicContact CG-CH2 4.28Å
666	K	89.6	Confident	90.7	Very high	116 Å²	116	47.5 Å²	47.5	50%	0.504	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	130	174.9	-170.7	170.1	-174.1	172.6	0	109.5	Y639	Y639-K666 PolarHBondContact OH-NZ 3.11Å
667	E	89.7	Confident	90.2	Very high	50 Å²	50	47.2 Å²	47.2	23%	0.234	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	111.4	-175.7	-166.4	77.7	-132.2	0	0	108.5	V612 A615 Q665 E669 W670 W683	V612-E667 HydrophobicContact CG2-CB 4.46Å; V612-E667 HydrophobicContact CG2-CG 4.1Å; A615-E667 HydrophobicContact CB-CB 4.34Å; A615-E667 HydrophobicContact CB-CG 3.86Å; Q665-E667 PolarHBondContact NE2-OE2 2.95Å; E667-E669 PolarHBondContact O-N 2.82Å; E667-W670 PolarHBondContact N-O 2.83Å; E667-W670 PolarHBondContact O-N 2.82Å; E667-W683 HydrophobicContact CB-CH2 4.2Å; E667-W683 HydrophobicContact CB-CZ3 4.01Å
668	E	87.4	Confident	89.5	Confident	120 Å²	120	45.2 Å²	45.2	56%	0.561	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	-120.2	-176.3	-57.3	178.7	168.2	0	0	112.5	R611 V612 W670	R611-E668 WeakPolarHBondContact CD-OE1 3.48Å; V612-E668 HydrophobicContact CG2-CB 3.93Å; V612-E668 HydrophobicContact CG2-CG 4.27Å; V612-E668 WeakPolarHBondContact CG2-OE2 3.05Å; E668-W670 VanDerWaalsContact C-N 3.31Å
669	E	90.6	Very high	89.2	Confident	142 Å²	142	42.8 Å²	42.8	66%	0.664	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	10.5	177.3	-62	-161.3	140.2	0	0	114.1	E667 P685 A686	E667-E669 PolarHBondContact O-N 2.82Å; E669-P685 CarbonylContact O-C 3.48Å; E669-A686 WeakPolarHBondContact O-CB 3.47Å; E669-A686 PolarHBondContact O-N 3.43Å
670	W	94.1	Very high	89	Confident	54 Å²	54	45.3 Å²	45.3	21%	0.205	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.2	-175.5	-71.9	75.4	0	0	0	112.7	V612 Y645 E652 E667 E668 W683 F684 P685	V612-W670 HydrophobicContact CG1-CB 4.05Å; V612-W670 HydrophobicContact CG1-CD2 4.27Å; V612-W670 HydrophobicContact CG1-CG 3.76Å; Y645-W670 WeakPolarHBondContact OH-CH2 3.37Å; E652-W670 HydrophobicContact CG-CZ3 4.22Å; E652-W670 VanDerWaalsContact OE1-CH2 3.26Å; E652-W670 WeakPolarHBondContact OE1-CH2 3.31Å; E667-W670 PolarHBondContact N-O 2.83Å; E667-W670 PolarHBondContact O-N 2.82Å; E668-W670 VanDerWaalsContact C-N 3.31Å; W670-W683 HydrophobicContact CB-CE3 4.05Å; W670-W683 HydrophobicContact CB-CZ3 4.3Å; W670-W683 HydrophobicContact CE3-CB 4.08Å; W670-W683 HydrophobicContact CZ3-CB 4.32Å; W670-F684 VanDerWaalsContact CE3-C 3.42Å; W670-P685 HydrophobicContact CE3-CG 4.4Å; W670-P685 HydrophobicContact CH2-CG 4.03Å; W670-P685 HydrophobicContact CZ2-CG 4.18Å; W670-P685 HydrophobicContact CZ3-CG 4.14Å
671	C	93.9	Very high	88.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.2	171	-66.6	0	0	0	0	109.4	V663 Q665 W683 F684	V663-C671 HydrophobicContact CG1-CB 4.14Å; V663-C671 HydrophobicContact CG2-CB 4.18Å; Q665-C671 WeakPolarHBondContact O-CA 3.49Å; C671-W683 CarbonylContact O-C 3.59Å; C671-W683 WeakPolarHBondContact O-CA 3.35Å; C671-F684 HydrophobicContact CB-CD1 4.22Å; C671-F684 HydrophobicContact CB-CD2 4.24Å; C671-F684 HydrophobicContact CB-CE1 3.69Å; C671-F684 HydrophobicContact CB-CE2 3.74Å; C671-F684 HydrophobicContact CB-CG 4.48Å; C671-F684 HydrophobicContact CB-CZ 3.45Å; C671-F684 VanDerWaalsContact CB-CZ 3.45Å; C671-F684 PolarHBondContact N-O 2.74Å; C671-F684 WeakPolarHBondContact O-CD1 3.4Å; C671-F684 PolarHBondContact O-N 2.75Å
672	Y	93.4	Very high	88.9	Confident	12 Å²	12	47.6 Å²	47.6	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130	163	174.5	-102.9	0	0	0	107.9	T619 E623 L664 Q665 R681 G682 W683	T619-Y672 HydrophobicContact CG2-CD1 4.1Å; T619-Y672 HydrophobicContact CG2-CD2 4.08Å; T619-Y672 HydrophobicContact CG2-CE1 3.81Å; T619-Y672 HydrophobicContact CG2-CE2 3.75Å; T619-Y672 HydrophobicContact CG2-CG 4.24Å; E623-Y672 WeakPolarHBondContact OE1-CE2 3.43Å; E623-Y672 PolarHBondContact OE1-OH 2.95Å; L664-Y672 HydrophobicContact CB-CD1 3.9Å; L664-Y672 HydrophobicContact CB-CE1 4.22Å; L664-Y672 HydrophobicContact CD1-CD1 4.23Å; L664-Y672 HydrophobicContact CD1-CE1 3.77Å; L664-Y672 PolarHBondContact N-O 2.84Å; Q665-Y672 PolarHBondContact N-O 2.86Å; Q665-Y672 VanDerWaalsContact N-O 3.11Å; Q665-Y672 PolarHBondContact O-N 3.27Å; Y672-R681 HydrophobicContact CE2-CB 4.39Å; Y672-G682 WeakPolarHBondContact CA-O 3.48Å; Y672-W683 AromaticContact CD2-CD1 3.59Å; Y672-W683 HydrophobicContact CD2-CD2 4.15Å; Y672-W683 AromaticContact CD2-CE2 3.82Å; Y672-W683 HydrophobicContact CD2-CG 4.03Å; Y672-W683 HydrophobicContact CD2-CZ2 4.49Å; Y672-W683 AromaticContact CD2-NE1 3.41Å; Y672-W683 HydrophobicContact CG-CD2 4.37Å; Y672-W683 HydrophobicContact CG-CZ2 4.3Å
673	G	92.3	Very high	89	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	174.6	-172.9	0	0	0	0	0	114.5	I662 R681 G682	I662-G673 CarbonylContact O-C 3.56Å; I662-G673 WeakPolarHBondContact O-CA 3.46Å; G673-R681 VanDerWaalsContact O-CA 3.26Å; G673-R681 WeakPolarHBondContact O-CA 3.43Å; G673-G682 PolarHBondContact N-O 2.85Å; G673-G682 VanDerWaalsContact N-O 3.08Å; G673-G682 PolarHBondContact O-N 2.94Å; G673-G682 VanDerWaalsContact O-N 3.12Å
674	E	91.1	Very high	89.1	Confident	11 Å²	11	47.3 Å²	47.3	5%	0.051	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.8	179.3	-172.1	176	129.2	0	0	110.5	V661 I662 L664 M676 R681 R709	V661-E674 WeakPolarHBondContact CA-O 3.45Å; V661-E674 WeakPolarHBondContact CG1-O 3.28Å; I662-E674 PolarHBondContact N-O 2.8Å; I662-E674 PolarHBondContact O-N 2.82Å; L664-E674 HydrophobicContact CD1-CB 4.37Å; E674-M676 PolarHBondContact O-N 3.06Å; E674-R681 HydrophobicContact CB-CG 3.92Å; E674-R681 HydrophobicContact CG-CG 3.9Å; E674-R681 IonicContact OE2-CZ 3.99Å; E674-R681 IonicContact OE2-NE 3.69Å; E674-R681 PolarHBondContact OE2-NE 3.21Å; E674-R681 IonicContact OE2-NH2 3.94Å; E674-R681 PolarHBondContact OE2-NH2 2.79Å; E674-R709 IonicContact OE1-CZ 3.12Å; E674-R709 IonicContact OE1-NH1 3.86Å; E674-R709 PolarHBondContact OE1-NH1 2.76Å; E674-R709 IonicContact OE1-NH2 2.82Å; E674-R709 PolarHBondContact OE1-NH2 3.26Å
675	R	89.3	Confident	89.3	Confident	21 Å²	21	45.7 Å²	45.7	8%	0.079	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122.6	179.9	-168.1	170.5	65.6	-147.2	3.1	110.1	L653 G654 L655 E659 R677 D678 G679 E680	L653-R675 HydrophobicContact CD1-CB 4.21Å; L653-R675 HydrophobicContact CD2-CB 4.23Å; G654-R675 PolarHBondContact O-NH1 2.73Å; L655-R675 HydrophobicContact CD2-CG 4.36Å; E659-R675 WeakPolarHBondContact OE2-CD 3.5Å; R675-R677 VanDerWaalsContact NE-NH2 3.12Å; R675-R677 PolarHBondContact O-N 2.83Å; R675-D678 IonicContact CZ-OD1 3.71Å; R675-D678 IonicContact CZ-OD2 2.71Å; R675-D678 IonicContact NE-OD1 2.79Å; R675-D678 PolarHBondContact NE-OD1 2.81Å; R675-D678 IonicContact NE-OD2 3.63Å; R675-D678 PolarHBondContact NE-OD2 2.87Å; R675-D678 VanDerWaalsContact NE-OD2 3.09Å; R675-D678 IonicContact NH2-OD1 2.64Å; R675-D678 PolarHBondContact NH2-OD1 3.25Å; R675-D678 VanDerWaalsContact NH2-OD1 3.11Å; R675-D678 IonicContact NH2-OD2 2.74Å; R675-D678 PolarHBondContact NH2-OD2 3.29Å; R675-D678 PolarHBondContact O-N 2.88Å; R675-G679 WeakPolarHBondContact O-CA 3.46Å; R675-G679 PolarHBondContact O-N 3.48Å; R675-E680 IonicContact CZ-OE2 3.18Å; R675-E680 PolarHBondContact N-O 2.82Å; R675-E680 IonicContact NH1-OE2 2.78Å; R675-E680 IonicContact NH2-OE1 2.71Å; R675-E680 IonicContact NH2-OE2 2.71Å; R675-E680 PolarHBondContact NH2-OE2 3.42Å
676	M	85.9	Confident	89.4	Confident	12 Å²	12	43.5 Å²	43.5	6%	0.059	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-35.8	-166.8	-74.4	-143.7	-124.7	0	0	114.7	Q638 V660 I662 E674 D678 N701 M702 M705 R709	Q638-M676 HydrophobicContact CB-CE 4.44Å; Q638-M676 HydrophobicContact CG-CE 3.83Å; Q638-M676 VanDerWaalsContact OE1-CE 3.26Å; V660-M676 HydrophobicContact CB-CE 4.05Å; V660-M676 HydrophobicContact CG1-CE 3.48Å; V660-M676 VanDerWaalsContact CG1-CE 3.48Å; V660-M676 PolarHBondContact O-N 3.12Å; I662-M676 HydrophobicContact CD1-CE 4.49Å; I662-M676 HydrophobicContact CD1-CG 3.98Å; I662-M676 HydrophobicContact CD1-SD 3.99Å; I662-M676 HydrophobicContact CG1-CE 4.03Å; I662-M676 HydrophobicContact CG1-CG 3.79Å; I662-M676 HydrophobicContact CG1-SD 4.06Å; E674-M676 PolarHBondContact O-N 3.06Å; M676-D678 VanDerWaalsContact C-N 3.32Å; M676-D678 PolarHBondContact O-N 3.1Å; M676-N701 HydrophobicContact CE-CB 3.68Å; M676-N701 HydrophobicContact SD-CB 4.36Å; M676-M702 HydrophobicContact SD-SD 4.18Å; M676-M705 HydrophobicContact CB-CB 4.31Å; M676-M705 HydrophobicContact CB-CG 4.22Å; M676-M705 HydrophobicContact CB-SD 3.79Å; M676-M705 HydrophobicContact CG-SD 3.64Å; M676-M705 WeakPolarHBondContact O-CG 3.31Å; M676-M705 HydrophobicContact SD-CB 3.92Å; M676-M705 HydrophobicContact SD-CG 4.35Å; M676-M705 HydrophobicContact SD-SD 3.65Å; M676-M705 VanDerWaalsContact SD-SD 3.65Å; M676-R709 PolarHBondContact O-NE 3.16Å; M676-R709 PolarHBondContact O-NH2 3.41Å
677	R	78.9	Confident	89.5	Confident	104 Å²	104	42.6 Å²	42.6	39%	0.392	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-45.7	-177.7	173	179	57.5	-126.6	-10.5	113.3	E659 R675	E659-R677 IonicContact OE1-CZ 2.74Å; E659-R677 IonicContact OE1-NH1 3.57Å; E659-R677 PolarHBondContact OE1-NH1 3.39Å; E659-R677 IonicContact OE1-NH2 3.99Å; E659-R677 PolarHBondContact OE1-NH2 3.03Å; E659-R677 IonicContact OE2-NH2 2.93Å; R675-R677 VanDerWaalsContact NE-NH2 3.12Å; R675-R677 PolarHBondContact O-N 2.83Å
678	D	76.4	Confident	89.6	Confident	63 Å²	63	40.4 Å²	40.4	34%	0.337	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-8.5	-160.9	41	38.1	0	0	0	113.4	R675 M676 E680	R675-D678 IonicContact CZ-OD1 3.71Å; R675-D678 IonicContact CZ-OD2 2.71Å; R675-D678 IonicContact NE-OD1 2.79Å; R675-D678 PolarHBondContact NE-OD1 2.81Å; R675-D678 IonicContact NE-OD2 3.63Å; R675-D678 PolarHBondContact NE-OD2 2.87Å; R675-D678 VanDerWaalsContact NE-OD2 3.09Å; R675-D678 IonicContact NH2-OD1 2.64Å; R675-D678 PolarHBondContact NH2-OD1 3.25Å; R675-D678 VanDerWaalsContact NH2-OD1 3.11Å; R675-D678 IonicContact NH2-OD2 2.74Å; R675-D678 PolarHBondContact NH2-OD2 3.29Å; R675-D678 PolarHBondContact O-N 2.88Å; M676-D678 VanDerWaalsContact C-N 3.32Å; M676-D678 PolarHBondContact O-N 3.1Å; D678-E680 VanDerWaalsContact C-N 3.26Å; D678-E680 PolarHBondContact O-N 2.97Å; D678-E680 PolarHBondContact OD1-N 2.84Å
679	G	82	Confident	89.8	Confident	24 Å²	24	35.1 Å²	35.1	25%	0.247	17%	0.172	C	C	.	.			trans	76.6	8.7	177.9	0	0	0	0	0	114.4	R675 R681	R675-G679 WeakPolarHBondContact O-CA 3.46Å; R675-G679 PolarHBondContact O-N 3.48Å; G679-R681 PolarHBondContact O-N 3.36Å
680	E	84.4	Confident	89.9	Confident	71 Å²	71	31.9 Å²	31.9	33%	0.332	16%	0.157	S	C	.	.			trans	-65	130.9	173.7	-70.4	-175.3	-174.3	0	0	109.9	R478 L653 R675 D678	R478-E680 IonicContact CZ-OE1 3.66Å; R478-E680 IonicContact NH1-OE1 2.76Å; R478-E680 PolarHBondContact NH1-OE1 2.84Å; L653-E680 HydrophobicContact CD1-CB 4.11Å; L653-E680 WeakPolarHBondContact CD1-O 3.27Å; R675-E680 IonicContact CZ-OE2 3.18Å; R675-E680 PolarHBondContact N-O 2.82Å; R675-E680 IonicContact NH1-OE2 2.78Å; R675-E680 IonicContact NH2-OE1 2.71Å; R675-E680 IonicContact NH2-OE2 2.71Å; R675-E680 PolarHBondContact NH2-OE2 3.42Å; D678-E680 VanDerWaalsContact C-N 3.26Å; D678-E680 PolarHBondContact O-N 2.97Å; D678-E680 PolarHBondContact OD1-N 2.84Å
681	R	90.5	Very high	89.8	Confident	73 Å²	73	33.7 Å²	33.7	28%	0.275	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	151.6	179.5	-67.8	-177.2	177.2	-169.9	-4.3	111.2	T631 Y672 G673 E674 G679	T631-R681 PolarHBondContact OG1-NH2 3.3Å; Y672-R681 HydrophobicContact CE2-CB 4.39Å; G673-R681 VanDerWaalsContact O-CA 3.26Å; G673-R681 WeakPolarHBondContact O-CA 3.43Å; E674-R681 HydrophobicContact CB-CG 3.92Å; E674-R681 HydrophobicContact CG-CG 3.9Å; E674-R681 IonicContact OE2-CZ 3.99Å; E674-R681 IonicContact OE2-NE 3.69Å; E674-R681 PolarHBondContact OE2-NE 3.21Å; E674-R681 IonicContact OE2-NH2 3.94Å; E674-R681 PolarHBondContact OE2-NH2 2.79Å; G679-R681 PolarHBondContact O-N 3.36Å
682	G	92	Very high	89.7	Confident	2 Å²	2	34.2 Å²	34.2	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.7	-177.5	172.8	0	0	0	0	0	113.7	Y672 G673	Y672-G682 WeakPolarHBondContact CA-O 3.48Å; G673-G682 PolarHBondContact N-O 2.85Å; G673-G682 VanDerWaalsContact N-O 3.08Å; G673-G682 PolarHBondContact O-N 2.94Å; G673-G682 VanDerWaalsContact O-N 3.12Å
683	W	94.4	Very high	89.5	Confident	3 Å²	3	37.3 Å²	37.3	1%	0.011	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.1	-177	-70.2	86.7	0	0	0	112.9	A615 R616 D651 E652 L653 Q665 E667 W670 C671 Y672	A615-W683 HydrophobicContact CB-CH2 3.73Å; A615-W683 HydrophobicContact CB-CZ2 4.07Å; R616-W683 HydrophobicContact CG-CB 4.44Å; R616-W683 HydrophobicContact CG-CD2 3.54Å; R616-W683 HydrophobicContact CG-CE3 4.17Å; R616-W683 HydrophobicContact CG-CG 3.65Å; R616-W683 HydrophobicContact CG-CZ2 4.16Å; D651-W683 PolarHBondContact O-N 2.96Å; E652-W683 CarbonylContact C-O 3.56Å; E652-W683 WeakPolarHBondContact CA-O 3.4Å; E652-W683 WeakPolarHBondContact CB-O 3.24Å; L653-W683 PolarHBondContact N-O 3.09Å; Q665-W683 HydrophobicContact CG-CH2 4.28Å; E667-W683 HydrophobicContact CB-CH2 4.2Å; E667-W683 HydrophobicContact CB-CZ3 4.01Å; W670-W683 HydrophobicContact CB-CE3 4.05Å; W670-W683 HydrophobicContact CB-CZ3 4.3Å; W670-W683 HydrophobicContact CE3-CB 4.08Å; W670-W683 HydrophobicContact CZ3-CB 4.32Å; C671-W683 CarbonylContact O-C 3.59Å; C671-W683 WeakPolarHBondContact O-CA 3.35Å; Y672-W683 AromaticContact CD2-CD1 3.59Å; Y672-W683 HydrophobicContact CD2-CD2 4.15Å; Y672-W683 AromaticContact CD2-CE2 3.82Å; Y672-W683 HydrophobicContact CD2-CG 4.03Å; Y672-W683 HydrophobicContact CD2-CZ2 4.49Å; Y672-W683 AromaticContact CD2-NE1 3.41Å; Y672-W683 HydrophobicContact CG-CD2 4.37Å; Y672-W683 HydrophobicContact CG-CZ2 4.3Å
684	F	94.6	Very high	89.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	151.8	176.4	63.1	-84.1	0	0	0	111.7	Y645 L653 L655 V661 V663 W670 C671 A686 A689	Y645-F684 HydrophobicContact CD1-CB 4.37Å; L653-F684 HydrophobicContact CD2-CD1 4.23Å; L655-F684 HydrophobicContact CD1-CB 3.7Å; L655-F684 HydrophobicContact CD1-CD1 4.1Å; L655-F684 HydrophobicContact CD1-CD2 3.62Å; L655-F684 HydrophobicContact CD1-CE2 4.18Å; L655-F684 HydrophobicContact CD1-CG 3.55Å; V661-F684 HydrophobicContact CB-CE1 4.47Å; V661-F684 HydrophobicContact CB-CZ 4.25Å; V661-F684 HydrophobicContact CG1-CE1 3.7Å; V661-F684 HydrophobicContact CG1-CZ 3.93Å; V663-F684 HydrophobicContact CG2-CZ 3.95Å; W670-F684 VanDerWaalsContact CE3-C 3.42Å; C671-F684 HydrophobicContact CB-CD1 4.22Å; C671-F684 HydrophobicContact CB-CD2 4.24Å; C671-F684 HydrophobicContact CB-CE1 3.69Å; C671-F684 HydrophobicContact CB-CE2 3.74Å; C671-F684 HydrophobicContact CB-CG 4.48Å; C671-F684 HydrophobicContact CB-CZ 3.45Å; C671-F684 VanDerWaalsContact CB-CZ 3.45Å; C671-F684 PolarHBondContact N-O 2.74Å; C671-F684 WeakPolarHBondContact O-CD1 3.4Å; C671-F684 PolarHBondContact O-N 2.75Å; F684-A686 PolarHBondContact O-N 2.94Å; F684-A689 HydrophobicContact CE2-CB 4.23Å
685	P	94.3	Very high	89	Confident	16 Å²	16	42.8 Å²	42.8	10%	0.104	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	128.8	175.5	-21.2	33.4	0	0	0	111.3	Y645 E669 W670 N687 C688	Y645-P685 HydrophobicContact CD2-CG 4.04Å; Y645-P685 HydrophobicContact CE2-CG 3.55Å; Y645-P685 VanDerWaalsContact CZ-CD 3.43Å; E669-P685 CarbonylContact O-C 3.48Å; W670-P685 HydrophobicContact CE3-CG 4.4Å; W670-P685 HydrophobicContact CH2-CG 4.03Å; W670-P685 HydrophobicContact CZ2-CG 4.18Å; W670-P685 HydrophobicContact CZ3-CG 4.14Å; P685-N687 PolarHBondContact O-N 2.89Å; P685-C688 PolarHBondContact O-N 2.9Å; P685-C688 VanDerWaalsContact O-N 3.1Å; P685-C688 PolarHBondContact O-SG 3.32Å
686	A	92.1	Very high	88.8	Confident	20 Å²	20	46.9 Å²	46.9	17%	0.165	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-57.5	-26.3	179.1	0	0	0	0	0	112.6	E669 F684 C688 A689	E669-A686 WeakPolarHBondContact O-CB 3.47Å; E669-A686 PolarHBondContact O-N 3.43Å; F684-A686 PolarHBondContact O-N 2.94Å; A686-C688 PolarHBondContact O-N 2.91Å; A686-A689 PolarHBondContact O-N 3.27Å; A686-A689 VanDerWaalsContact O-O 3.1Å
687	N	92.6	Very high	88.6	Confident	96 Å²	96	47.2 Å²	47.2	51%	0.513	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-73.2	-3	179.5	71.7	34	0	0	0	115.5	K643 P685	K643-N687 PolarHBondContact NZ-O 3.02Å; P685-N687 PolarHBondContact O-N 2.89Å
688	C	91.5	Very high	88.9	Confident	4 Å²	4	44.3 Å²	44.3	3%	0.027	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-93.4	-10.4	174.3	79	0	0	0	0	113.9	T642 K643 P685 A686	T642-C688 PolarHBondContact N-O 2.8Å; T642-C688 PolarHBondContact OG1-O 2.89Å; K643-C688 HydrophobicContact CB-CB 4.28Å; K643-C688 PolarHBondContact N-O 2.93Å; P685-C688 PolarHBondContact O-N 2.9Å; P685-C688 VanDerWaalsContact O-N 3.1Å; P685-C688 PolarHBondContact O-SG 3.32Å; A686-C688 PolarHBondContact O-N 2.91Å
689	A	92.6	Very high	89.3	Confident	9 Å²	9	45.6 Å²	45.6	7%	0.074	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	165.8	-176.8	0	0	0	0	0	112.3	Y639 E640 F684 A686	Y639-A689 HydrophobicContact CD1-CB 3.97Å; E640-A689 CarbonylContact O-C 3.52Å; E640-A689 WeakPolarHBondContact O-CA 3.33Å; E640-A689 WeakPolarHBondContact O-CB 3.26Å; F684-A689 HydrophobicContact CE2-CB 4.23Å; A686-A689 PolarHBondContact O-N 3.27Å; A686-A689 VanDerWaalsContact O-O 3.1Å
690	M	91.8	Very high	89.3	Confident	74 Å²	74	48 Å²	48	37%	0.365	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.3	174.7	-65	-172.2	-41.7	0	0	110.3	I80 Y639 E640 T642	I80-M690 HydrophobicContact CD1-CE 3.98Å; I80-M690 HydrophobicContact CD1-SD 4.3Å; I80-M690 HydrophobicContact CG2-CE 4.24Å; Y639-M690 CarbonylContact C-O 3.34Å; Y639-M690 VanDerWaalsContact CA-O 3.24Å; Y639-M690 WeakPolarHBondContact CA-O 3.44Å; E640-M690 PolarHBondContact N-O 3.45Å; E640-M690 PolarHBondContact O-N 2.86Å; T642-M690 HydrophobicContact CG2-CB 4.25Å; T642-M690 HydrophobicContact CG2-CE 3.73Å; T642-M690 HydrophobicContact CG2-CG 3.65Å; T642-M690 HydrophobicContact CG2-SD 3.98Å
691	E	92.5	Very high	89.3	Confident	93 Å²	93	46 Å²	46	44%	0.435	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	133.1	-179.5	-161.1	161.1	148.9	0	0	111.3	P637 Q638 Y639 T693	P637-E691 HydrophobicContact CB-CG 4.44Å; Q638-E691 WeakPolarHBondContact O-CA 3.45Å; Y639-E691 HydrophobicContact CD2-CB 4.17Å; Y639-E691 HydrophobicContact CD2-CG 4.01Å; Y639-E691 HydrophobicContact CE1-CB 4.15Å; Y639-E691 HydrophobicContact CE2-CB 3.72Å; Y639-E691 HydrophobicContact CE2-CG 3.49Å; Y639-E691 VanDerWaalsContact CE2-CG 3.49Å; Y639-E691 WeakPolarHBondContact CE2-OE2 3.34Å; Y639-E691 PolarHBondContact OH-OE2 2.84Å; E691-T693 PolarHBondContact O-N 2.55Å
692	I	90.6	Very high	88.9	Confident	10 Å²	10	43 Å²	43	5%	0.051	25%	0.247	C	C	.	.			trans	-84.3	111.3	177.1	-58.3	179.6	0	0	0	107.8	Q638 E640 V660 A697 M698	Q638-I692 HydrophobicContact CB-CB 4.32Å; Q638-I692 HydrophobicContact CB-CD1 4.17Å; Q638-I692 HydrophobicContact CB-CG1 4.48Å; Q638-I692 PolarHBondContact O-N 3.4Å; E640-I692 HydrophobicContact CB-CD1 4.14Å; E640-I692 HydrophobicContact CB-CG1 4.1Å; V660-I692 HydrophobicContact CG1-CD1 3.63Å; V660-I692 HydrophobicContact CG2-CD1 4.33Å; I692-A697 HydrophobicContact CG2-CB 3.96Å; I692-M698 HydrophobicContact CB-CG 4.41Å; I692-M698 HydrophobicContact CG2-CG 4Å
693	T	89.8	Confident	88.3	Confident	78 Å²	78	47 Å²	47	48%	0.479	27%	0.266	S	S	.	.			trans	-94.2	-5.4	-175.3	58.5	0	0	0	0	114.5	I80 E691 P695	I80-T693 PolarHBondContact N-OG1 3.49Å; E691-T693 PolarHBondContact O-N 2.55Å; T693-P695 WeakPolarHBondContact O-CD 3.17Å
694	D	88	Confident	87.5	Confident	30 Å²	30	55 Å²	55	16%	0.16	30%	0.296	C	S	.	.			trans	-92.4	116.1	178.1	167.4	34.4	0	0	0	111.3	L81 T696 A697 M698	L81-D694 HydrophobicContact CD2-CB 3.78Å; D694-T696 PolarHBondContact O-N 2.88Å; D694-T696 VanDerWaalsContact OD1-CB 3.24Å; D694-T696 WeakPolarHBondContact OD1-CB 3.48Å; D694-T696 PolarHBondContact OD1-N 3Å; D694-T696 PolarHBondContact OD1-OG1 3.01Å; D694-T696 WeakPolarHBondContact OD2-CB 3.45Å; D694-A697 HydrophobicContact CB-CB 4.15Å; D694-A697 PolarHBondContact O-N 3.41Å; D694-A697 VanDerWaalsContact OD2-CB 3.27Å; D694-A697 WeakPolarHBondContact OD2-CB 3.4Å; D694-A697 PolarHBondContact OD2-N 3.39Å; D694-M698 WeakPolarHBondContact O-CG 3.36Å; D694-M698 PolarHBondContact O-N 3.04Å
695	P	84.8	Confident	86.7	Confident	96 Å²	96	55.4 Å²	55.4	62%	0.623	30%	0.298	S	S	*	.	H	α-helix	trans	-58.5	-28.8	175.9	-24	35	0	0	0	113.7	T693 M698 E699	T693-P695 WeakPolarHBondContact O-CD 3.17Å; P695-M698 PolarHBondContact O-N 2.92Å; P695-E699 PolarHBondContact O-N 2.92Å
696	T	84.7	Confident	85.8	Confident	106 Å²	106	59.2 Å²	59.2	65%	0.65	31%	0.313	S	S	*	.	H	α-helix	trans	-69.5	-48.2	-178.6	-30.8	0	0	0	0	110.9	D694 M698 E699 S700	D694-T696 PolarHBondContact O-N 2.88Å; D694-T696 VanDerWaalsContact OD1-CB 3.24Å; D694-T696 WeakPolarHBondContact OD1-CB 3.48Å; D694-T696 PolarHBondContact OD1-N 3Å; D694-T696 PolarHBondContact OD1-OG1 3.01Å; D694-T696 WeakPolarHBondContact OD2-CB 3.45Å; T696-M698 VanDerWaalsContact C-N 3.32Å; T696-E699 PolarHBondContact O-N 3.43Å; T696-S700 VanDerWaalsContact O-CB 3.29Å; T696-S700 WeakPolarHBondContact O-CB 3.41Å; T696-S700 PolarHBondContact O-N 3.37Å
697	A	82.3	Confident	84.9	Confident	19 Å²	19	65.6 Å²	65.6	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-41.2	169.9	0	0	0	0	0	111.7	I692 D694 S700 N701	I692-A697 HydrophobicContact CG2-CB 3.96Å; D694-A697 HydrophobicContact CB-CB 4.15Å; D694-A697 PolarHBondContact O-N 3.41Å; D694-A697 VanDerWaalsContact OD2-CB 3.27Å; D694-A697 WeakPolarHBondContact OD2-CB 3.4Å; D694-A697 PolarHBondContact OD2-N 3.39Å; A697-S700 PolarHBondContact O-N 2.66Å; A697-N701 WeakPolarHBondContact O-CB 3.45Å; A697-N701 PolarHBondContact O-N 2.79Å; A697-N701 PolarHBondContact O-ND2 3.18Å
698	M	85.3	Confident	83.6	Confident	44 Å²	44	63.6 Å²	63.6	22%	0.217	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-46.9	178.2	-71.3	177.5	75	0	0	112.7	Q638 I692 D694 P695 T696 N701 M702	Q638-M698 HydrophobicContact CB-CE 4.47Å; Q638-M698 HydrophobicContact CB-CG 4.4Å; Q638-M698 HydrophobicContact CG-CE 4.05Å; Q638-M698 HydrophobicContact CG-CG 4.31Å; Q638-M698 PolarHBondContact NE2-O 2.91Å; I692-M698 HydrophobicContact CB-CG 4.41Å; I692-M698 HydrophobicContact CG2-CG 4Å; D694-M698 WeakPolarHBondContact O-CG 3.36Å; D694-M698 PolarHBondContact O-N 3.04Å; P695-M698 PolarHBondContact O-N 2.92Å; T696-M698 VanDerWaalsContact C-N 3.32Å; M698-N701 PolarHBondContact O-N 3.24Å; M698-M702 WeakPolarHBondContact O-CG 3.41Å; M698-M702 PolarHBondContact O-N 2.85Å
699	E	84.2	Confident	82.4	Confident	90 Å²	90	65.9 Å²	65.9	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-69	-41.4	177.4	175.4	52.8	-156.7	0	0	111.7	P695 T696 N701 M702 Q703	P695-E699 PolarHBondContact O-N 2.92Å; T696-E699 PolarHBondContact O-N 3.43Å; E699-N701 VanDerWaalsContact C-N 3.3Å; E699-N701 PolarHBondContact O-N 3.4Å; E699-M702 PolarHBondContact O-N 2.64Å; E699-M702 VanDerWaalsContact O-N 3.09Å; E699-Q703 WeakPolarHBondContact O-CG 3.4Å; E699-Q703 PolarHBondContact O-N 3.04Å; E699-Q703 VanDerWaalsContact OE1-CG 3.25Å; E699-Q703 WeakPolarHBondContact OE1-CG 3.24Å; E699-Q703 PolarHBondContact OE1-NE2 2.77Å
700	S	83.2	Confident	80.8	Confident	75 Å²	75	73.5 Å²	73.5	52%	0.524	36%	0.361	S	S	.	.	H	α-helix	trans	-57.8	-42.2	174.4	-174.3	0	0	0	0	112.1	T696 A697 Q703 R704	T696-S700 VanDerWaalsContact O-CB 3.29Å; T696-S700 WeakPolarHBondContact O-CB 3.41Å; T696-S700 PolarHBondContact O-N 3.37Å; A697-S700 PolarHBondContact O-N 2.66Å; S700-Q703 PolarHBondContact O-N 3.12Å; S700-R704 WeakPolarHBondContact O-CB 3.16Å; S700-R704 PolarHBondContact O-N 2.76Å
701	N	84.4	Confident	79	Confident	29 Å²	29	75.8 Å²	75.8	16%	0.155	37%	0.371	C	S	.	.	H	α-helix	trans	-63.4	-42.9	173.3	-72.2	-26.1	0	0	0	112.2	Q638 M676 A697 M698 E699 Q703 R704 M705	Q638-N701 PolarHBondContact OE1-ND2 2.8Å; M676-N701 HydrophobicContact CE-CB 3.68Å; M676-N701 HydrophobicContact SD-CB 4.36Å; A697-N701 WeakPolarHBondContact O-CB 3.45Å; A697-N701 PolarHBondContact O-N 2.79Å; A697-N701 PolarHBondContact O-ND2 3.18Å; M698-N701 PolarHBondContact O-N 3.24Å; E699-N701 VanDerWaalsContact C-N 3.3Å; E699-N701 PolarHBondContact O-N 3.4Å; N701-Q703 PolarHBondContact O-N 3.37Å; N701-R704 PolarHBondContact O-N 3.25Å; N701-M705 WeakPolarHBondContact O-CB 3.46Å; N701-M705 PolarHBondContact O-N 3.34Å
702	M	81.6	Confident	76.7	Confident	8 Å²	8	75.8 Å²	75.8	4%	0.039	38%	0.378	C	S	.	.	H	α-helix	trans	-63.7	-40	176.5	-72.2	-59	-64.4	0	0	112	D634 I662 M676 M698 E699 M705 K706	D634-M702 WeakPolarHBondContact OD1-CE 3.38Å; I662-M702 HydrophobicContact CD1-SD 3.98Å; M676-M702 HydrophobicContact SD-SD 4.18Å; M698-M702 WeakPolarHBondContact O-CG 3.41Å; M698-M702 PolarHBondContact O-N 2.85Å; E699-M702 PolarHBondContact O-N 2.64Å; E699-M702 VanDerWaalsContact O-N 3.09Å; M702-M705 HydrophobicContact CE-CE 3.84Å; M702-M705 PolarHBondContact O-N 2.82Å; M702-M705 HydrophobicContact SD-CE 4.26Å; M702-K706 VanDerWaalsContact O-CB 3.32Å; M702-K706 WeakPolarHBondContact O-CB 3.48Å; M702-K706 WeakPolarHBondContact O-CD 3.2Å; M702-K706 WeakPolarHBondContact O-CG 3.39Å; M702-K706 PolarHBondContact O-N 2.99Å
703	Q	80.4	Confident	74	Confident	87 Å²	87	81.9 Å²	81.9	41%	0.407	41%	0.41	S	S	.	.	H	α-helix	trans	-65.3	-42	173.7	-67.9	-176.6	20.7	0	0	111.7	E699 S700 N701 K706 R707	E699-Q703 WeakPolarHBondContact O-CG 3.4Å; E699-Q703 PolarHBondContact O-N 3.04Å; E699-Q703 VanDerWaalsContact OE1-CG 3.25Å; E699-Q703 WeakPolarHBondContact OE1-CG 3.24Å; E699-Q703 PolarHBondContact OE1-NE2 2.77Å; S700-Q703 PolarHBondContact O-N 3.12Å; N701-Q703 PolarHBondContact O-N 3.37Å; Q703-K706 PolarHBondContact O-N 3.15Å; Q703-R707 WeakPolarHBondContact O-CG 3.4Å; Q703-R707 PolarHBondContact O-N 3.15Å
704	R	77.6	Confident	71.4	Confident	170 Å²	170	82 Å²	82	64%	0.642	41%	0.411	S	S	*	.	H	α-helix	trans	-61.4	-42.8	174.5	-170.4	179.2	-177.4	-171.4	1.8	111.5	S700 N701 R707 L708	S700-R704 WeakPolarHBondContact O-CB 3.16Å; S700-R704 PolarHBondContact O-N 2.76Å; N701-R704 PolarHBondContact O-N 3.25Å; R704-R707 PolarHBondContact O-N 3.06Å; R704-L708 HydrophobicContact CG-CD1 4.14Å; R704-L708 WeakPolarHBondContact O-CB 3.22Å; R704-L708 WeakPolarHBondContact O-CG 3.39Å; R704-L708 PolarHBondContact O-N 3.29Å
705	M	77.8	Confident	70.6	Confident	10 Å²	10	84.6 Å²	84.6	5%	0.049	42%	0.423	C	S	.	.	H	α-helix	trans	-61.7	-45.6	173	-178.6	172.4	99.1	0	0	111.9	I662 M676 N701 M702 R707 L708 R709	I662-M705 HydrophobicContact CD1-CE 4.13Å; I662-M705 HydrophobicContact CD1-SD 4.07Å; M676-M705 HydrophobicContact CB-CB 4.31Å; M676-M705 HydrophobicContact CB-CG 4.22Å; M676-M705 HydrophobicContact CB-SD 3.79Å; M676-M705 HydrophobicContact CG-SD 3.64Å; M676-M705 WeakPolarHBondContact O-CG 3.31Å; M676-M705 HydrophobicContact SD-CB 3.92Å; M676-M705 HydrophobicContact SD-CG 4.35Å; M676-M705 HydrophobicContact SD-SD 3.65Å; M676-M705 VanDerWaalsContact SD-SD 3.65Å; N701-M705 WeakPolarHBondContact O-CB 3.46Å; N701-M705 PolarHBondContact O-N 3.34Å; M702-M705 HydrophobicContact CE-CE 3.84Å; M702-M705 PolarHBondContact O-N 2.82Å; M702-M705 HydrophobicContact SD-CE 4.26Å; M705-R707 PolarHBondContact O-N 3.04Å; M705-L708 PolarHBondContact O-N 3.08Å; M705-R709 HydrophobicContact CG-CG 4.27Å; M705-R709 WeakPolarHBondContact O-CB 3.49Å; M705-R709 WeakPolarHBondContact O-CG 3.3Å; M705-R709 PolarHBondContact O-N 3.18Å; M705-R709 VanDerWaalsContact SD-CZ 3.51Å; M705-R709 PolarHBondContact SD-NH2 2.85Å
706	K	75.4	Confident	69.8	Low	96 Å²	96	84 Å²	84	42%	0.417	41%	0.413	S	S	.	.	H	α-helix	trans	-65.2	-22.7	178.7	-72.5	165.3	-176.5	170.4	0	112.6	D634 M702 Q703 K710	D634-K706 IonicContact OD1-NZ 3.7Å; D634-K706 PolarHBondContact OD1-NZ 3.35Å; D634-K706 VanDerWaalsContact OD1-NZ 3.15Å; M702-K706 VanDerWaalsContact O-CB 3.32Å; M702-K706 WeakPolarHBondContact O-CB 3.48Å; M702-K706 WeakPolarHBondContact O-CD 3.2Å; M702-K706 WeakPolarHBondContact O-CG 3.39Å; M702-K706 PolarHBondContact O-N 2.99Å; Q703-K706 PolarHBondContact O-N 3.15Å; K706-K710 WeakPolarHBondContact O-CG 3.06Å
707	R	71.8	Confident	69	Low	153 Å²	153	82.8 Å²	82.8	58%	0.577	40%	0.399	S	S	*	.	H	α-helix	trans	-80.3	-56.1	168.2	-68.7	179.2	-154	-167.7	6.7	112.1	Q703 R704 M705 R709 K710 E711	Q703-R707 WeakPolarHBondContact O-CG 3.4Å; Q703-R707 PolarHBondContact O-N 3.15Å; R704-R707 PolarHBondContact O-N 3.06Å; M705-R707 PolarHBondContact O-N 3.04Å; R707-R709 VanDerWaalsContact C-N 3.26Å; R707-R709 PolarHBondContact O-N 3.37Å; R707-R709 VanDerWaalsContact O-N 3.17Å; R707-K710 WeakPolarHBondContact O-CA 3.37Å; R707-K710 WeakPolarHBondContact O-CB 3.5Å; R707-K710 PolarHBondContact O-N 3.15Å; R707-E711 PolarHBondContact O-N 3.13Å
708	L	65.8	Low	68.2	Low	54 Å²	54	86.5 Å²	86.5	28%	0.283	41%	0.414	S	S	.	.	H	α-helix	trans	-53.2	-41.6	-179.7	-73	171.9	0	0	0	112.3	R704 M705 K710 E711 T712	R704-L708 HydrophobicContact CG-CD1 4.14Å; R704-L708 WeakPolarHBondContact O-CB 3.22Å; R704-L708 WeakPolarHBondContact O-CG 3.39Å; R704-L708 PolarHBondContact O-N 3.29Å; M705-L708 PolarHBondContact O-N 3.08Å; L708-K710 VanDerWaalsContact C-N 3.28Å; L708-K710 PolarHBondContact O-N 3.38Å; L708-E711 PolarHBondContact O-N 2.88Å; L708-T712 WeakPolarHBondContact O-CG2 3.38Å; L708-T712 PolarHBondContact O-N 3.37Å; L708-T712 PolarHBondContact O-OG1 2.81Å
709	R	65.4	Low	67.1	Low	52 Å²	52	89.2 Å²	89.2	20%	0.196	43%	0.426	C	S	.	.	H	α-helix	trans	-72.6	-13.3	177.4	-67.1	-175.3	-174.2	-162.3	2	114.7	E674 M676 M705 R707 N713	E674-R709 IonicContact OE1-CZ 3.12Å; E674-R709 IonicContact OE1-NH1 3.86Å; E674-R709 PolarHBondContact OE1-NH1 2.76Å; E674-R709 IonicContact OE1-NH2 2.82Å; E674-R709 PolarHBondContact OE1-NH2 3.26Å; M676-R709 PolarHBondContact O-NE 3.16Å; M676-R709 PolarHBondContact O-NH2 3.41Å; M705-R709 HydrophobicContact CG-CG 4.27Å; M705-R709 WeakPolarHBondContact O-CB 3.49Å; M705-R709 WeakPolarHBondContact O-CG 3.3Å; M705-R709 PolarHBondContact O-N 3.18Å; M705-R709 VanDerWaalsContact SD-CZ 3.51Å; M705-R709 PolarHBondContact SD-NH2 2.85Å; R707-R709 VanDerWaalsContact C-N 3.26Å; R707-R709 PolarHBondContact O-N 3.37Å; R707-R709 VanDerWaalsContact O-N 3.17Å; R709-N713 PolarHBondContact O-ND2 3.48Å
710	K	60.3	Low	66	Low	170 Å²	170	89.1 Å²	89.1	74%	0.739	43%	0.426	S	S	*	.	H	α-helix	trans	-88.5	-32.1	167.6	-70.3	178.2	179	-173.8	0	111.5	K706 R707 L708	K706-K710 WeakPolarHBondContact O-CG 3.06Å; R707-K710 WeakPolarHBondContact O-CA 3.37Å; R707-K710 WeakPolarHBondContact O-CB 3.5Å; R707-K710 PolarHBondContact O-N 3.15Å; L708-K710 VanDerWaalsContact C-N 3.28Å; L708-K710 PolarHBondContact O-N 3.38Å
711	E	52.8	Low	64.8	Low	122 Å²	122	90.1 Å²	90.1	57%	0.57	42%	0.419	S	S	*	.	H	α-helix	trans	-76.4	-29.2	178.4	-69.7	151.1	-161.2	0	0	112.7	R707 L708 V714	R707-E711 PolarHBondContact O-N 3.13Å; L708-E711 PolarHBondContact O-N 2.88Å; E711-V714 VanDerWaalsContact O-CG2 3.23Å; E711-V714 WeakPolarHBondContact O-CG2 3.28Å
712	T	45.8	Very low	63.3	Low	93 Å²	93	94.8 Å²	94.8	57%	0.571	44%	0.44	S	S	*	.	S	Bend	trans	-93.5	-10.1	178	57.1	0	0	0	0	115.2	L708 V714	L708-T712 WeakPolarHBondContact O-CG2 3.38Å; L708-T712 PolarHBondContact O-N 3.37Å; L708-T712 PolarHBondContact O-OG1 2.81Å; T712-V714 VanDerWaalsContact C-N 3.34Å; T712-V714 PolarHBondContact O-N 3.04Å; T712-V714 VanDerWaalsContact O-N 3.15Å
713	N	33.5	Very low	61.7	Low	137 Å²	137	102.1 Å²	102.1	73%	0.733	47%	0.473	S	S	*	.			trans	-84.5	76.8	169.8	-90.1	-63.5	0	0	0	110	R709	R709-N713 PolarHBondContact O-ND2 3.48Å
714	V	34.5	Very low	60	Low	81 Å²	81	103.5 Å²	103.5	49%	0.491	48%	0.479	S	S	.	.			trans	-137.5	0	-171.1	169.2	0	0	0	0	112.6	K464 K468 E711 T712	K464-V714 HydrophobicContact CD-CG1 4.23Å; K464-V714 VanDerWaalsContact CE-CG2 3.47Å; K464-V714 HydrophobicContact CG-CG1 3.84Å; K468-V714 HydrophobicContact CB-CG1 4.43Å; K468-V714 HydrophobicContact CD-CG1 4.46Å; K468-V714 PolarHBondContact NZ-O 2.9Å; K468-V714 PolarHBondContact NZ-OXT 3.34Å; E711-V714 VanDerWaalsContact O-CG2 3.23Å; E711-V714 WeakPolarHBondContact O-CG2 3.28Å; T712-V714 VanDerWaalsContact C-N 3.34Å; T712-V714 PolarHBondContact O-N 3.04Å; T712-V714 VanDerWaalsContact O-N 3.15Å

Retrieved 714 of 714 residues in 807.8 ms (Link to these results)

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