A0A087X9R6_POEFO Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A087X9R6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 919 aa.

						>A0A087X9R6_POEFO|A0A087X9R6
MRRLTGKAKEETLIELQSASDSLNTDGPAVLTAFRINLHSDDSSGNGVNALCEGGPLPAHSETERLQPNRDTVFFRDGVRRIDFVLSYVDDKDERKQERRKEFEANLQKEGLELETEDKSESKDHKTYFLKIHAPWEVLATYADVLNIKVPFKDSDMQHGPDVHLDWLSCPFRLPDHIMHPQTDYFTYPFDKNKMDFFLINDKETFFPPSTRNRIVFYILARVPYYREGYKDREKTGIKRLLNNGTYTAAFPLHDCRYWKRARNAECESERFNLYKHWARFLCFYKEQPLNLIKKYYGEKIGIYFAWLGFYTEMLFFAAVMGVICFTYGALSYGNNKSSEEICDANIGGSILMCPLCDKKCPFWKLNSTCFSSWQSHLFDNEGTIFFAIFMGIWVTLFLEFWKRRQARLEYEWDLVDFEEEQQQLQIRPEFEIKCTNRRENKITKEMEPYLPVTSKCARFCFSGATVIFWISLIVACIIGVIAYRLAVYAAFASIIKDPMRKIQLVGRFITPQLATSVTASCINFVIIMILNFFYEKVAIWITDMEIPKTHLEYENRLTIKMFMFQFVNYYSSCFYVAFFKGKFVGYPGKYSYMFGNFTKLRNEECDPGGCLIELTTQLVIVMAGKQVWGNIQEALLPLMRNWWSSRKGRHNPENHYSRWEQDYVLLNFSQIGLFYEYLEMVIQFGFITLFVASFPLAPVLALFNNILEIRVDAWKFTTQFRRPVASKARNIGAWQEILNSVAILSVVTNAFIMAFTSDMIPRMVYLYAYSKDASMSGYINNSLSVYNISQIHPDNMPEENWHNSTTTCRYRDYRYPPGHERQYTHTMQFWHILAAKMAFIIIMEHVVFVVKFFVAWLIPDVPSDVKARIKRERYLIQEYLHKYEVERLKVQLSASFITEPRSETSLTPDKHEVVSECS
					

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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	30.2	Very low	29.9	Very low	237 Å²	237	162.8 Å²	162.8	100%	1.167	81%	0.81	S	S	*	*				0	144.5	0	-55.9	-178.7	-172.9	0	0	107.2
2	R	30.2	Very low	29.7	Very low	233 Å²	233	158.4 Å²	158.4	88%	0.879	80%	0.799	S	S	*	*			cis	-121.3	146.8	-4.7	-59.6	172.2	174.5	160.9	-3.7	106.7
3	R	29.9	Very low	29.4	Very low	227 Å²	227	157.5 Å²	157.5	86%	0.857	80%	0.797	S	S	*	*				61.1	126.6	62	-121.3	-178	-163.5	-171.9	5.4	110.6
4	L	32.5	Very low	29.2	Very low	141 Å²	141	156.4 Å²	156.4	74%	0.738	79%	0.792	S	S	*	*				-154	154.5	51.1	-73.7	133.5	0	0	0	116.1
5	T	32.8	Very low	28.9	Very low	137 Å²	137	157.2 Å²	157.2	84%	0.84	79%	0.791	S	S	*	*			trans	55.4	147.8	145.9	51.5	0	0	0	0	121.6
6	G	29.2	Very low	28.5	Very low	73 Å²	73	156.1 Å²	156.1	75%	0.753	79%	0.788	S	S	*	*			cis	119	137	13.1	0	0	0	0	0	109.9
7	K	28.1	Very low	28.2	Very low	203 Å²	203	157.6 Å²	157.6	88%	0.883	79%	0.791	S	S	*	*			cis	-148.2	158.5	30.3	-78	174.9	169.3	178.7	0	111.2
8	A	29.6	Very low	28	Very low	91 Å²	91	155.2 Å²	155.2	75%	0.752	79%	0.792	S	S	*	*				53.2	147	101.6	0	0	0	0	0	116.9
9	K	27.2	Very low	27.8	Very low	165 Å²	165	151.5 Å²	151.5	72%	0.717	79%	0.787	S	S	*	*			cis	-144.5	152.9	28.1	-95.2	-158.4	165	-138.9	0	112.1
10	E	28.9	Very low	27.6	Very low	121 Å²	121	149.3 Å²	149.3	57%	0.565	79%	0.785	S	S	*	*				58	152.8	88.1	-47.9	170.5	-152	0	0	115.2
11	E	30.7	Very low	27.4	Very low	163 Å²	163	149.4 Å²	149.4	76%	0.762	79%	0.786	S	S	*	*			cis	-174.8	176.5	-17.1	-106.3	162.3	-132.7	0	0	107.3
12	T	26.9	Very low	27.1	Very low	110 Å²	110	143.4 Å²	143.4	68%	0.675	77%	0.768	S	S	*	*			cis	-143.9	179.1	-2.8	27.3	0	0	0	0	107.3
13	L	26.6	Very low	26.8	Very low	147 Å²	147	139.6 Å²	139.6	77%	0.77	76%	0.764	S	S	*	*			cis	89.2	103.2	16.1	-158.3	166.1	0	0	0	117.6
14	I	26.5	Very low	26.5	Very low	142 Å²	142	135.3 Å²	135.3	73%	0.728	76%	0.758	S	S	*	*			trans	-173.2	112.9	164.8	-100.3	150.2	0	0	0	108.5
15	E	23.8	Very low	26.2	Very low	168 Å²	168	134.4 Å²	134.4	79%	0.785	76%	0.759	S	S	*	*				80.6	170.5	93.1	-71	-175.9	152.8	0	0	116.5
16	L	23.6	Very low	25.9	Very low	140 Å²	140	135.8 Å²	135.8	73%	0.733	76%	0.761	S	S	*	*				-171.6	151.9	-67.4	-127.8	161.8	0	0	0	109.7
17	Q	23.4	Very low	25.7	Very low	182 Å²	182	135.6 Å²	135.6	85%	0.85	76%	0.759	S	S	*	*			trans	63.7	158.9	169.3	-83.7	162.4	-19.9	0	0	116.5
18	S	23.3	Very low	25.6	Very low	114 Å²	114	132.7 Å²	132.7	80%	0.797	76%	0.761	S	S	*	*			cis	-162.2	172.3	-6.9	56	0	0	0	0	106.6
19	A	24.3	Very low	25.4	Very low	85 Å²	85	132.6 Å²	132.6	70%	0.702	76%	0.76	S	S	*	*			cis	-177.4	-177.5	-9	0	0	0	0	0	107.7
20	S	24.1	Very low	25.3	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	77%	0.765	S	S	*	*			trans	68.2	113.3	164.5	51.3	0	0	0	0	122.5
21	D	24.1	Very low	25.1	Very low	151 Å²	151	133 Å²	133	81%	0.807	78%	0.778	S	S	*	*			trans	56	113.1	131	-53.9	-3.6	0	0	0	123.8
22	S	23.3	Very low	24.8	Very low	112 Å²	112	132.4 Å²	132.4	78%	0.783	79%	0.785	S	S	*	*				162.2	145.7	94.9	53.1	0	0	0	0	115.7
23	L	24.7	Very low	24.6	Very low	152 Å²	152	131.6 Å²	131.6	80%	0.796	79%	0.789	S	S	*	*			trans	35.8	123.9	164.4	-83.2	82	0	0	0	123.8
24	N	23.6	Very low	24.5	Very low	138 Å²	138	134.7 Å²	134.7	74%	0.738	80%	0.797	S	S	*	*			trans	84.9	138.6	132.1	-79.7	4.2	0	0	0	124.2
25	T	25.6	Very low	24.3	Very low	122 Å²	122	138.8 Å²	138.8	75%	0.748	80%	0.803	S	S	*	*			trans	77.8	146.1	150.3	36.4	0	0	0	0	121.2
26	D	25.8	Very low	24.4	Very low	166 Å²	166	137.9 Å²	137.9	89%	0.888	80%	0.803	S	S	*	*			trans	65.3	142.4	174.3	-59.2	-15.2	0	0	0	119.5
27	G	25.2	Very low	24.4	Very low	69 Å²	69	137.2 Å²	137.2	71%	0.711	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-101	162.3	-157.6	0	0	0	0	0	115.7
28	P	27.6	Very low	24.5	Very low	141 Å²	141	135.8 Å²	135.8	92%	0.916	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-78.2	136.5	-175.5	31.6	-35	0	0	0	112.7
29	A	24.4	Very low	24.5	Very low	89 Å²	89	138.3 Å²	138.3	74%	0.736	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-102.2	143.6	170.9	0	0	0	0	0	111.5
30	V	25	Very low	24.6	Very low	135 Å²	135	139.1 Å²	139.1	82%	0.818	80%	0.796	S	S	*	*			trans	62.8	106.1	160.5	-174.6	0	0	0	0	117.8
31	L	24.8	Very low	24.6	Very low	161 Å²	161	140.8 Å²	140.8	84%	0.843	80%	0.797	S	S	*	*				-167.3	79.7	119.1	-110.7	170.5	0	0	0	113.3
32	T	24.5	Very low	24.7	Very low	150 Å²	150	141.7 Å²	141.7	92%	0.92	80%	0.802	S	S	*	*			trans	-157.7	106.8	157.3	-18.1	0	0	0	0	110.6
33	A	23.3	Very low	24.8	Very low	92 Å²	92	142.3 Å²	142.3	76%	0.76	81%	0.806	S	S	*	*			trans	-126	91.4	-176.4	0	0	0	0	0	111.6
34	F	23.4	Very low	24.9	Very low	212 Å²	212	140.8 Å²	140.8	93%	0.93	81%	0.808	S	S	*	*			trans	-164.9	80.4	145.8	-106.9	-65.9	0	0	0	109.2
35	R	22.9	Very low	24.9	Very low	228 Å²	228	137.6 Å²	137.6	86%	0.86	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-88	117.6	-178.4	-161.1	-178.7	-159.5	170.9	4.3	109.5
36	I	26.2	Very low	24.8	Very low	150 Å²	150	140.4 Å²	140.4	77%	0.769	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-86	116.9	166.4	-62	176.1	0	0	0	107	L38	I36-L38 PolarHBondContact O-N 2.96Å
37	N	22.5	Very low	24.7	Very low	126 Å²	126	135.8 Å²	135.8	67%	0.674	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.3	119.5	175.7	-71.2	-7.3	0	0	0	109.8
38	L	25.9	Very low	24.7	Very low	151 Å²	151	139.5 Å²	139.5	79%	0.791	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-86.7	135.6	149.5	-79	79.5	0	0	0	107.1	I36	I36-L38 PolarHBondContact O-N 2.96Å
39	H	24.3	Very low	24.4	Very low	168 Å²	168	140.4 Å²	140.4	78%	0.778	82%	0.816	S	S	*	*			trans	-105.9	135.5	150.6	-106.3	-88.5	0	0	0	107.8	D41	H39-D41 IonicContact ND1-OD2 2.7Å
40	S	25.4	Very low	24.4	Very low	101 Å²	101	140.9 Å²	140.9	71%	0.706	82%	0.819	S	S	*	*			trans	-129.6	119.9	173.1	51.5	0	0	0	0	106.5
41	D	23.7	Very low	24.3	Very low	143 Å²	143	142.7 Å²	142.7	77%	0.765	82%	0.824	S	S	*	*			trans	-122.2	100.6	173.6	-68.9	-58	0	0	0	108.1	H39	H39-D41 IonicContact ND1-OD2 2.7Å
42	D	27	Very low	24.3	Very low	169 Å²	169	141.2 Å²	141.2	90%	0.904	83%	0.825	S	S	*	*			trans	-93.3	129.9	159.5	-82.5	-50.5	0	0	0	107.7
43	S	24.3	Very low	24.3	Very low	125 Å²	125	143.7 Å²	143.7	87%	0.874	83%	0.826	S	S	*	*			trans	-148.4	144.6	161.5	59.2	0	0	0	0	109.9
44	S	26.9	Very low	24.4	Very low	120 Å²	120	143.4 Å²	143.4	84%	0.839	83%	0.832	S	S	*	*			trans	-121.4	144	-159.5	49.3	0	0	0	0	113.8
45	G	24.6	Very low	24.3	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	82%	0.823	S	S	*	*			trans	62.4	108.5	138.3	0	0	0	0	0	119.5
46	N	23	Very low	24.6	Very low	181 Å²	181	132 Å²	132	97%	0.968	82%	0.822	S	S	*	*			trans	-149	147.7	137.2	-105.8	-36	0	0	0	108.7
47	G	23.9	Very low	24.9	Very low	70 Å²	70	133 Å²	133	72%	0.722	83%	0.828	S	S	*	*			trans	-145.8	150	-174	0	0	0	0	0	113.3
48	V	24.2	Very low	25.1	Very low	146 Å²	146	132.9 Å²	132.9	89%	0.885	83%	0.834	S	S	*	*			trans	-142.8	148.5	173.5	-176.9	0	0	0	0	108.5
49	N	22.6	Very low	25	Very low	161 Å²	161	130.3 Å²	130.3	86%	0.861	84%	0.835	S	S	*	*			trans	-72.5	151	-175.6	-44.5	-57.9	0	0	0	113.5
50	A	24.1	Very low	25.3	Very low	98 Å²	98	131.8 Å²	131.8	81%	0.81	84%	0.842	S	S	*	*			trans	-154.4	147.9	145.4	0	0	0	0	0	111.6
51	L	23.3	Very low	25.3	Very low	174 Å²	174	132.5 Å²	132.5	91%	0.911	85%	0.847	S	S	*	*			trans	-67.9	164.7	-171.8	-68.8	94.3	0	0	0	115.2
52	C	25.3	Very low	25.6	Very low	129 Å²	129	134 Å²	134	87%	0.872	85%	0.849	S	S	*	*			trans	-75	138.1	162.6	-49.7	0	0	0	0	111.6
53	E	23.8	Very low	25.8	Very low	202 Å²	202	132.1 Å²	132.1	94%	0.944	84%	0.844	S	S	*	*			trans	-139.8	150.2	153.3	-106.2	-178	-178.7	0	0	109
54	G	25.7	Very low	25.9	Very low	86 Å²	86	134.4 Å²	134.4	89%	0.887	84%	0.841	S	S	*	*			trans	-101.4	135.8	-172.6	0	0	0	0	0	113.4
55	G	21.6	Very low	26.1	Very low	71 Å²	71	140.2 Å²	140.2	73%	0.732	84%	0.844	S	S	*	*			trans	-148.1	151.6	174.2	0	0	0	0	0	111.5
56	P	27.4	Very low	26.6	Very low	129 Å²	129	143.7 Å²	143.7	84%	0.838	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-85.1	162.9	-163.3	33.4	-37.1	0	0	0	115.5
57	L	34.4	Very low	27.4	Very low	172 Å²	172	143.9 Å²	143.9	90%	0.901	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-53.7	130.4	172.6	-68.5	159.4	0	0	0	113.1
58	P	26.3	Very low	28.9	Very low	123 Å²	123	145.1 Å²	145.1	80%	0.799	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-84.4	146.8	156.1	33.4	-30.1	0	0	0	111
59	A	22.9	Very low	30.7	Very low	98 Å²	98	141.3 Å²	141.3	81%	0.81	81%	0.81	S	S	*	*			trans	-82.7	175.6	-179.9	0	0	0	0	0	113.1	S61	A59-S61 PolarHBondContact O-N 3.49Å
60	H	31.6	Very low	32.7	Very low	198 Å²	198	137 Å²	137	92%	0.917	78%	0.782	S	S	*	*			trans	-47.7	132.3	178.5	-75.3	-88.9	0	0	0	114.4
61	S	24.4	Very low	35	Very low	116 Å²	116	134.2 Å²	134.2	81%	0.811	75%	0.754	S	S	*	*			trans	-132.4	128	152.7	60.3	0	0	0	0	108.7	A59	A59-S61 PolarHBondContact O-N 3.49Å
62	E	29.8	Very low	37.9	Very low	175 Å²	175	127.4 Å²	127.4	82%	0.818	72%	0.719	S	S	*	*			trans	-78	170.9	-174.1	-60.9	-175.6	111.8	0	0	113.7
63	T	32.3	Very low	40.8	Very low	129 Å²	129	121.7 Å²	121.7	79%	0.791	68%	0.681	S	S	*	*			trans	69	62.9	161.5	50.1	0	0	0	0	119.1
64	E	25.3	Very low	43.8	Very low	174 Å²	174	113.6 Å²	113.6	81%	0.813	64%	0.642	S	S	*	*			trans	-98.3	125.1	130.5	-76.9	-152.3	130.9	0	0	110.2	L66	E64-L66 VanDerWaalsContact C-N 3.34Å; E64-L66 HydrophobicContact CB-CD1 4.37Å; E64-L66 PolarHBondContact O-N 3.26Å; E64-L66 VanDerWaalsContact O-N 3.09Å
65	R	31.6	Very low	46.9	Very low	242 Å²	242	109.8 Å²	109.8	91%	0.913	60%	0.601	S	S	*	*			trans	-82.1	78.5	173.5	-73	-176.5	177.2	173.3	-0.2	110.1	Q67	R65-Q67 PolarHBondContact O-N 2.75Å
66	L	35.1	Very low	50	Low	143 Å²	143	113.4 Å²	113.4	75%	0.749	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-54	134.5	161.9	-84.5	86.1	0	0	0	108.9	E64	E64-L66 VanDerWaalsContact C-N 3.34Å; E64-L66 HydrophobicContact CB-CD1 4.37Å; E64-L66 PolarHBondContact O-N 3.26Å; E64-L66 VanDerWaalsContact O-N 3.09Å
67	Q	40.6	Very low	52.8	Low	185 Å²	185	110.6 Å²	110.6	86%	0.864	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-61.7	124.7	170.8	-67.6	-176.3	-2	0	0	108.3	R65 N69	R65-Q67 PolarHBondContact O-N 2.75Å; Q67-N69 PolarHBondContact O-N 3.36Å; Q67-N69 VanDerWaalsContact O-N 3.12Å
68	P	54.3	Low	55	Low	97 Å²	97	104.5 Å²	104.5	63%	0.63	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-61.7	121.2	-176.3	23.4	-32.9	0	0	0	109.5	R70	P68-R70 WeakPolarHBondContact O-CG 3.13Å; P68-R70 PolarHBondContact O-N 3.39Å
69	N	62	Low	57.7	Low	65 Å²	65	102.5 Å²	102.5	35%	0.348	54%	0.535	S	S	.	.			trans	-66.7	95.9	179	177.2	12.1	0	0	0	109.4	Q67 D71 T72	Q67-N69 PolarHBondContact O-N 3.36Å; Q67-N69 VanDerWaalsContact O-N 3.12Å; N69-D71 PolarHBondContact O-N 3.38Å; N69-D71 PolarHBondContact OD1-N 3.24Å; N69-T72 HydrophobicContact CB-CG2 4.04Å; N69-T72 VanDerWaalsContact O-CG2 3.23Å; N69-T72 WeakPolarHBondContact O-CG2 3.34Å; N69-T72 PolarHBondContact O-N 3.43Å; N69-T72 PolarHBondContact O-OG1 2.86Å; N69-T72 VanDerWaalsContact O-OG1 3.1Å
70	R	66.2	Low	60.8	Low	70 Å²	70	102 Å²	102	26%	0.264	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.7	-173.7	-64.2	-171.7	164.5	-147.9	-13.3	114.3	P68 T72 E121 H656 S658 R659	P68-R70 WeakPolarHBondContact O-CG 3.13Å; P68-R70 PolarHBondContact O-N 3.39Å; R70-T72 VanDerWaalsContact C-N 3.33Å; R70-T72 PolarHBondContact O-N 3.42Å; R70-E121 IonicContact NH2-OE2 3.05Å; R70-E121 PolarHBondContact NH2-OE2 3.24Å; R70-H656 WeakPolarHBondContact CD-O 3.2Å; R70-S658 CarbonylContact O-C 3.57Å; R70-S658 WeakPolarHBondContact O-CA 3.44Å; R70-R659 PolarHBondContact O-N 3.02Å
71	D	72.3	Confident	63.6	Low	41 Å²	41	94.7 Å²	94.7	22%	0.219	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	24.6	179.4	-139.1	35.2	0	0	0	113.6	N69 R257 R659 Q662	N69-D71 PolarHBondContact O-N 3.38Å; N69-D71 PolarHBondContact OD1-N 3.24Å; D71-R257 VanDerWaalsContact CG-NE 3.34Å; D71-R257 IonicContact OD1-CZ 3.41Å; D71-R257 VanDerWaalsContact OD1-CZ 3.28Å; D71-R257 IonicContact OD1-NE 3.28Å; D71-R257 PolarHBondContact OD1-NE 3.48Å; D71-R257 IonicContact OD1-NH2 3.05Å; D71-R257 PolarHBondContact OD1-NH2 2.99Å; D71-R257 IonicContact OD2-CZ 2.7Å; D71-R257 IonicContact OD2-NE 3.53Å; D71-R257 PolarHBondContact OD2-NE 3.17Å; D71-R257 IonicContact OD2-NH2 2.59Å; D71-R257 PolarHBondContact OD2-NH2 3.04Å; D71-R659 WeakPolarHBondContact OD1-CD 3.46Å; D71-Q662 PolarHBondContact OD1-NE2 3.08Å
72	T	82.8	Confident	66.8	Low	30 Å²	30	89.6 Å²	89.6	18%	0.184	44%	0.44	C	S	.	.			trans	-88.5	154.2	179.1	51.1	0	0	0	0	114.4	N69 R70 R659	N69-T72 HydrophobicContact CB-CG2 4.04Å; N69-T72 VanDerWaalsContact O-CG2 3.23Å; N69-T72 WeakPolarHBondContact O-CG2 3.34Å; N69-T72 PolarHBondContact O-N 3.43Å; N69-T72 PolarHBondContact O-OG1 2.86Å; N69-T72 VanDerWaalsContact O-OG1 3.1Å; R70-T72 VanDerWaalsContact C-N 3.33Å; R70-T72 PolarHBondContact O-N 3.42Å; T72-R659 WeakPolarHBondContact O-CB 3.26Å; T72-R659 WeakPolarHBondContact O-CG 3.23Å
73	V	85.8	Confident	69.8	Low	10 Å²	10	81.3 Å²	81.3	6%	0.061	40%	0.401	C	S	.	.	S	Bend	trans	-105.1	18.5	170.5	-63.1	0	0	0	0	112.5	I82 D255 R659	V73-I82 PolarHBondContact O-N 2.88Å; V73-D255 VanDerWaalsContact CG1-O 3.29Å; V73-D255 WeakPolarHBondContact CG1-O 3.38Å; V73-R659 HydrophobicContact CG1-CG 4.44Å
74	F	88.6	Confident	72.8	Confident	31 Å²	31	75.2 Å²	75.2	14%	0.136	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-121.4	162.8	-176.1	-62.7	-83.3	0	0	0	110.4	V79 R80 R81	F74-V79 VanDerWaalsContact CD1-O 3.25Å; F74-V79 WeakPolarHBondContact CD1-O 3.45Å; F74-R80 CarbonylContact C-O 3.56Å; F74-R80 VanDerWaalsContact CA-O 3.27Å; F74-R80 WeakPolarHBondContact CA-O 3.32Å; F74-R81 HydrophobicContact CD1-CB 4.08Å; F74-R81 HydrophobicContact CD1-CG 4.41Å; F74-R81 HydrophobicContact CE1-CB 4.04Å; F74-R81 HydrophobicContact CE1-CG 4.2Å
75	F	90.7	Very high	76.1	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.026	33%	0.325	C	S	.	.			trans	-63.4	175.9	171.6	-83.4	38.3	0	0	0	111	D77 G78 R80 I82 E115 K131 H133	F75-D77 PolarHBondContact O-N 3.05Å; F75-D77 VanDerWaalsContact O-N 3.12Å; F75-G78 PolarHBondContact O-N 3.33Å; F75-R80 HydrophobicContact CB-CB 4Å; F75-R80 HydrophobicContact CD1-CB 4.23Å; F75-R80 VanDerWaalsContact CD1-O 3.29Å; F75-R80 WeakPolarHBondContact CD1-O 3.28Å; F75-R80 HydrophobicContact CD2-CB 4.13Å; F75-R80 HydrophobicContact CG-CB 3.87Å; F75-R80 PolarHBondContact N-O 2.91Å; F75-I82 HydrophobicContact CD1-CG1 3.75Å; F75-I82 HydrophobicContact CE1-CG1 3.99Å; F75-E115 VanDerWaalsContact CB-OE2 3.27Å; F75-E115 WeakPolarHBondContact CB-OE2 3.14Å; F75-E115 HydrophobicContact CD2-CB 3.73Å; F75-E115 HydrophobicContact CD2-CG 4.36Å; F75-E115 WeakPolarHBondContact CD2-OE2 3.44Å; F75-E115 HydrophobicContact CE2-CB 3.54Å; F75-E115 HydrophobicContact CG-CB 4.42Å; F75-E115 WeakPolarHBondContact CG-OE2 3.41Å; F75-E115 HydrophobicContact CZ-CB 4.07Å; F75-K131 HydrophobicContact CD1-CB 4.46Å; F75-K131 HydrophobicContact CE1-CB 3.83Å; F75-K131 HydrophobicContact CZ-CB 4.16Å; F75-H133 HydrophobicContact CD1-CB 4.49Å; F75-H133 HydrophobicContact CE1-CB 3.67Å; F75-H133 HydrophobicContact CE2-CB 4.2Å; F75-H133 HydrophobicContact CZ-CB 3.5Å
76	R	85.8	Confident	79.1	Confident	147 Å²	147	55.4 Å²	55.4	56%	0.555	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.5	-178.7	-76.3	164.7	179.8	-131.7	-5.8	114	E115 E117 E121	R76-E115 WeakPolarHBondContact CD-OE1 3.33Å; R76-E115 VanDerWaalsContact CG-OE1 3.24Å; R76-E115 WeakPolarHBondContact CG-OE1 3.22Å; R76-E115 PolarHBondContact N-OE2 3.43Å; R76-E115 IonicContact NE-OE1 2.94Å; R76-E115 PolarHBondContact NE-OE1 2.81Å; R76-E117 IonicContact CZ-OE1 2.74Å; R76-E117 IonicContact CZ-OE2 2.62Å; R76-E117 IonicContact NE-OE1 3.88Å; R76-E117 PolarHBondContact NE-OE1 3.2Å; R76-E117 IonicContact NH2-OE1 3.65Å; R76-E117 PolarHBondContact NH2-OE1 2.96Å; R76-E117 VanDerWaalsContact NH2-OE1 3.09Å; R76-E117 IonicContact NH2-OE2 2.87Å; R76-E117 PolarHBondContact NH2-OE2 2.83Å; R76-E121 IonicContact CZ-OE1 3.56Å; R76-E121 IonicContact NH1-OE1 3.92Å; R76-E121 IonicContact NH2-OE1 2.68Å; R76-E121 PolarHBondContact NH2-OE1 3.16Å; R76-E121 IonicContact NH2-OE2 2.69Å
77	D	85.4	Confident	81.9	Confident	71 Å²	71	48.6 Å²	48.6	38%	0.38	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.3	172.3	51.5	50	0	0	0	114.8	F75 V79 R80	F75-D77 PolarHBondContact O-N 3.05Å; F75-D77 VanDerWaalsContact O-N 3.12Å; D77-V79 VanDerWaalsContact C-N 3.26Å; D77-V79 PolarHBondContact O-N 3.35Å; D77-V79 PolarHBondContact OD1-N 3.18Å; D77-R80 PolarHBondContact OD1-N 3.42Å; D77-R80 IonicContact OD2-CZ 3.92Å; D77-R80 IonicContact OD2-NE 2.82Å; D77-R80 PolarHBondContact OD2-NE 3Å; D77-R80 IonicContact OD2-NH2 2.71Å; D77-R80 PolarHBondContact OD2-NH2 3.49Å
78	G	81.6	Confident	84.3	Confident	44 Å²	44	41 Å²	41	45%	0.454	21%	0.21	S	C	.	.	S	Bend	trans	78.1	-1.6	-175.8	0	0	0	0	0	115.8	F75	F75-G78 PolarHBondContact O-N 3.33Å
79	V	83.6	Confident	85.9	Confident	81 Å²	81	38.9 Å²	38.9	49%	0.491	20%	0.195	S	C	.	.	S	Bend	trans	-103.8	-51.3	-177.3	-178.1	0	0	0	0	111.2	F74 D77 R81	F74-V79 VanDerWaalsContact CD1-O 3.25Å; F74-V79 WeakPolarHBondContact CD1-O 3.45Å; D77-V79 VanDerWaalsContact C-N 3.26Å; D77-V79 PolarHBondContact O-N 3.35Å; D77-V79 PolarHBondContact OD1-N 3.18Å; V79-R81 PolarHBondContact O-N 3.41Å
80	R	88.4	Confident	86.8	Confident	86 Å²	86	39 Å²	39	33%	0.325	20%	0.196	S	C	.	.	S	Bend	trans	-78.2	116.5	-172.5	-71.7	176.2	-68.6	172.1	0.1	111.4	F74 F75 D77 E113 H133	F74-R80 CarbonylContact C-O 3.56Å; F74-R80 VanDerWaalsContact CA-O 3.27Å; F74-R80 WeakPolarHBondContact CA-O 3.32Å; F75-R80 HydrophobicContact CB-CB 4Å; F75-R80 HydrophobicContact CD1-CB 4.23Å; F75-R80 VanDerWaalsContact CD1-O 3.29Å; F75-R80 WeakPolarHBondContact CD1-O 3.28Å; F75-R80 HydrophobicContact CD2-CB 4.13Å; F75-R80 HydrophobicContact CG-CB 3.87Å; F75-R80 PolarHBondContact N-O 2.91Å; D77-R80 PolarHBondContact OD1-N 3.42Å; D77-R80 IonicContact OD2-CZ 3.92Å; D77-R80 IonicContact OD2-NE 2.82Å; D77-R80 PolarHBondContact OD2-NE 3Å; D77-R80 IonicContact OD2-NH2 2.71Å; D77-R80 PolarHBondContact OD2-NH2 3.49Å; R80-E113 WeakPolarHBondContact CD-OE2 3.46Å; R80-E113 IonicContact CZ-OE2 2.67Å; R80-E113 IonicContact NE-OE2 3.95Å; R80-E113 IonicContact NH1-OE2 4Å; R80-E113 PolarHBondContact NH1-OE2 2.83Å; R80-H133 HydrophobicContact CB-CB 4.46Å
81	R	88.8	Confident	87	Confident	45 Å²	45	38.2 Å²	38.2	17%	0.17	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-72.5	134	-177.3	-161.4	177.6	-162.9	155.7	4.1	112.2	F74 V79 D83 H133	F74-R81 HydrophobicContact CD1-CB 4.08Å; F74-R81 HydrophobicContact CD1-CG 4.41Å; F74-R81 HydrophobicContact CE1-CB 4.04Å; F74-R81 HydrophobicContact CE1-CG 4.2Å; V79-R81 PolarHBondContact O-N 3.41Å; R81-D83 PolarHBondContact O-N 3.21Å; R81-H133 PolarHBondContact N-ND1 2.87Å; R81-H133 PolarHBondContact O-ND1 2.67Å
82	I	92.3	Very high	87	Confident	9 Å²	9	46.4 Å²	46.4	5%	0.046	23%	0.23	C	C	.	.			trans	-77.6	110.9	175.9	-52.7	161.5	0	0	0	109.3	V73 F75 V85 K131 L253 W660	V73-I82 PolarHBondContact O-N 2.88Å; F75-I82 HydrophobicContact CD1-CG1 3.75Å; F75-I82 HydrophobicContact CE1-CG1 3.99Å; I82-V85 HydrophobicContact CG2-CG2 3.77Å; I82-K131 HydrophobicContact CD1-CD 3.42Å; I82-K131 VanDerWaalsContact CD1-CD 3.42Å; I82-K131 HydrophobicContact CD1-CG 3.95Å; I82-K131 HydrophobicContact CG1-CB 4.37Å; I82-K131 HydrophobicContact CG1-CD 3.81Å; I82-K131 HydrophobicContact CG1-CG 4.08Å; I82-K131 HydrophobicContact CG2-CB 4.18Å; I82-K131 HydrophobicContact CG2-CG 4.01Å; I82-L253 HydrophobicContact CB-CD1 4Å; I82-L253 HydrophobicContact CD1-CD1 3.91Å; I82-L253 HydrophobicContact CG2-CD1 3.73Å; I82-L253 HydrophobicContact CG2-CG 4.3Å; I82-W660 HydrophobicContact CD1-CE3 3.91Å; I82-W660 HydrophobicContact CD1-CZ3 3.82Å
83	D	93.1	Very high	87.1	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.011	24%	0.24	C	C	.	.			trans	-87.3	-37.4	176.7	-62.2	-53.5	0	0	0	111.5	R81 I132 H133 A134 R212 N213 V216	R81-D83 PolarHBondContact O-N 3.21Å; D83-I132 PolarHBondContact N-O 2.92Å; D83-H133 IonicContact OD2-ND1 2.68Å; D83-A134 PolarHBondContact OD2-N 3.37Å; D83-R212 WeakPolarHBondContact OD1-CB 3.41Å; D83-R212 IonicContact OD1-CZ 3.68Å; D83-R212 IonicContact OD1-NE 2.78Å; D83-R212 PolarHBondContact OD1-NE 3.49Å; D83-R212 IonicContact OD1-NH2 2.67Å; D83-R212 PolarHBondContact OD1-NH2 3.21Å; D83-R212 IonicContact OD2-CZ 2.65Å; D83-R212 IonicContact OD2-NE 2.8Å; D83-R212 IonicContact OD2-NH2 3.22Å; D83-R212 PolarHBondContact OD2-NH2 3.14Å; D83-N213 PolarHBondContact O-OD1 2.71Å; D83-V216 HydrophobicContact CB-CG2 3.95Å
84	F	94.7	Very high	87	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.6	-178.1	-126.9	-98.9	0	0	0	112.3	L86 I132 V216 F217 L220 A250 F251 P252 V725	F84-L86 HydrophobicContact CD1-CD2 4.23Å; F84-I132 HydrophobicContact CB-CB 4.12Å; F84-I132 PolarHBondContact N-O 3.43Å; F84-I132 PolarHBondContact O-N 3.47Å; F84-V216 HydrophobicContact CB-CG1 3.82Å; F84-V216 HydrophobicContact CD2-CG1 4.35Å; F84-V216 HydrophobicContact CG-CG1 4.24Å; F84-F217 HydrophobicContact CE1-CD2 4.48Å; F84-F217 HydrophobicContact CE2-CB 4.11Å; F84-F217 HydrophobicContact CE2-CD2 4.42Å; F84-F217 HydrophobicContact CZ-CB 4.32Å; F84-F217 AromaticContact CZ-CD2 3.79Å; F84-F217 HydrophobicContact CZ-CD2 3.79Å; F84-F217 HydrophobicContact CZ-CG 4.48Å; F84-L220 HydrophobicContact CB-CD1 4.45Å; F84-L220 HydrophobicContact CD1-CD1 3.64Å; F84-L220 HydrophobicContact CE1-CD1 3.97Å; F84-L220 HydrophobicContact CG-CD1 4Å; F84-A250 HydrophobicContact CE1-CB 4Å; F84-F251 VanDerWaalsContact CE1-N 3.33Å; F84-P252 HydrophobicContact CD2-CB 4.09Å; F84-P252 HydrophobicContact CE2-CB 4.02Å; F84-P252 HydrophobicContact CE2-CG 4.18Å; F84-V725 HydrophobicContact CE2-CG2 3.95Å; F84-V725 HydrophobicContact CZ-CG2 3.79Å
85	V	95.1	Very high	86.8	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.9	170.9	178.1	0	0	0	0	109.7	I82 F129 L130 K131 A250 F251 L253 W660	I82-V85 HydrophobicContact CG2-CG2 3.77Å; V85-F129 HydrophobicContact CG1-CB 4.21Å; V85-F129 HydrophobicContact CG1-CD1 4Å; V85-L130 WeakPolarHBondContact CA-O 3.3Å; V85-K131 HydrophobicContact CG2-CG 4.31Å; V85-A250 WeakPolarHBondContact O-CA 3.31Å; V85-F251 HydrophobicContact CB-CE2 4.49Å; V85-F251 HydrophobicContact CB-CZ 4.33Å; V85-F251 HydrophobicContact CG1-CE1 4.43Å; V85-F251 HydrophobicContact CG1-CZ 4.2Å; V85-F251 PolarHBondContact N-O 2.77Å; V85-F251 PolarHBondContact O-N 2.68Å; V85-L253 HydrophobicContact CG2-CD1 4.06Å; V85-L253 HydrophobicContact CG2-CD2 3.85Å; V85-L253 HydrophobicContact CG2-CG 3.92Å; V85-W660 HydrophobicContact CG1-CB 4.35Å; V85-W660 HydrophobicContact CG2-CB 4.16Å
86	L	94.6	Very high	86.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.3	162.2	-48.7	-174.2	0	0	0	108.7	F84 F103 L130 I132 L220 I238 Y247 A249 A250	F84-L86 HydrophobicContact CD1-CD2 4.23Å; L86-F103 HydrophobicContact CD1-CE1 4.18Å; L86-L130 HydrophobicContact CB-CB 4.27Å; L86-L130 HydrophobicContact CB-CD2 4.43Å; L86-L130 HydrophobicContact CD1-CD2 4.04Å; L86-L130 HydrophobicContact CG-CD2 4.38Å; L86-L130 PolarHBondContact N-O 3.08Å; L86-L130 PolarHBondContact O-N 3.49Å; L86-I132 HydrophobicContact CD1-CD1 4.18Å; L86-I132 HydrophobicContact CG-CD1 3.96Å; L86-L220 HydrophobicContact CD1-CD2 4.23Å; L86-L220 HydrophobicContact CD2-CD1 4.36Å; L86-L220 HydrophobicContact CD2-CD2 4.48Å; L86-I238 HydrophobicContact CD1-CD1 4.05Å; L86-I238 HydrophobicContact CD2-CD1 4.18Å; L86-I238 HydrophobicContact CD2-CG1 4.4Å; L86-Y247 HydrophobicContact CB-CD1 3.9Å; L86-Y247 HydrophobicContact CB-CE1 4.1Å; L86-Y247 HydrophobicContact CD1-CD1 4.31Å; L86-Y247 HydrophobicContact CD1-CD2 4.5Å; L86-Y247 HydrophobicContact CD1-CE1 4Å; L86-Y247 HydrophobicContact CD1-CE2 4.18Å; L86-A249 WeakPolarHBondContact CA-O 3.32Å; L86-A250 HydrophobicContact CD2-CB 3.38Å
87	S	92.6	Very high	86.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.8	172.2	65	0	0	0	0	110.6	Y128 Y247 T248 A249 Y664	S87-Y128 WeakPolarHBondContact CA-O 3.24Å; S87-Y247 CarbonylContact O-C 3.51Å; S87-T248 PolarHBondContact O-N 2.9Å; S87-T248 PolarHBondContact O-OG1 3.28Å; S87-T248 VanDerWaalsContact O-OG1 3.11Å; S87-T248 PolarHBondContact OG-OG1 3.27Å; S87-A249 PolarHBondContact N-O 3.01Å; S87-A249 PolarHBondContact O-N 3.37Å; S87-A249 WeakPolarHBondContact OG-CB 3.38Å; S87-A249 PolarHBondContact OG-N 3Å; S87-Y664 VanDerWaalsContact OG-CE2 3.23Å; S87-Y664 WeakPolarHBondContact OG-CE2 3.37Å
88	Y	91.8	Very high	86.8	Confident	26 Å²	26	60.6 Å²	60.6	10%	0.102	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	161.8	170	63	-92.4	0	0	0	111.6	T127 Y128 Y247	Y88-T127 WeakPolarHBondContact O-CA 3.32Å; Y88-Y128 AromaticContact CD2-CD2 3.93Å; Y88-Y128 HydrophobicContact CD2-CD2 3.93Å; Y88-Y128 HydrophobicContact CD2-CG 4.26Å; Y88-Y128 HydrophobicContact CE1-CG 4.43Å; Y88-Y128 HydrophobicContact CE2-CD1 4.39Å; Y88-Y128 AromaticContact CE2-CD2 3.33Å; Y88-Y128 HydrophobicContact CE2-CD2 3.33Å; Y88-Y128 HydrophobicContact CE2-CE2 4.1Å; Y88-Y128 AromaticContact CE2-CG 3.5Å; Y88-Y128 HydrophobicContact CE2-CG 3.5Å; Y88-Y128 AromaticContact CZ-CD2 3.95Å; Y88-Y128 AromaticContact CZ-CG 3.6Å; Y88-Y128 PolarHBondContact N-O 3.02Å; Y88-Y128 VanDerWaalsContact N-O 3.15Å; Y88-Y128 PolarHBondContact O-N 3.28Å; Y88-Y247 AromaticContact CD1-CD1 3.87Å; Y88-Y247 HydrophobicContact CD1-CD1 3.87Å; Y88-Y247 AromaticContact CD1-CE1 3.71Å; Y88-Y247 HydrophobicContact CD1-CE1 3.71Å; Y88-Y247 HydrophobicContact CE1-CE1 4.4Å; Y88-Y247 HydrophobicContact CG-CD1 4.33Å; Y88-Y247 HydrophobicContact CG-CE1 4.47Å
89	V	87.8	Confident	87.1	Confident	53 Å²	53	62.2 Å²	62.2	32%	0.321	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	151.2	167.5	176.9	0	0	0	0	108	D91 R100 T248	V89-D91 PolarHBondContact O-N 2.88Å; V89-R100 PolarHBondContact O-NH1 2.86Å; V89-R100 VanDerWaalsContact O-NH1 3.1Å; V89-T248 HydrophobicContact CG2-CG2 4.18Å
90	D	80.6	Confident	87.5	Confident	68 Å²	68	58.7 Å²	58.7	36%	0.364	26%	0.263	S	S	.	.			trans	-70	116.4	175.8	-145.2	-9.3	0	0	0	110	Q97 K119 Y128	D90-Q97 PolarHBondContact OD1-NE2 3.25Å; D90-K119 IonicContact OD2-NZ 3.07Å; D90-K119 PolarHBondContact OD2-NZ 3.31Å; D90-Y128 HydrophobicContact CB-CE2 4.17Å
91	D	71.6	Confident	87.6	Confident	52 Å²	52	61.6 Å²	61.6	28%	0.278	28%	0.278	S	S	.	.			trans	-105	141.8	-178.1	-93.6	-35.5	0	0	0	109.2	V89 D93 K96 Q97	V89-D91 PolarHBondContact O-N 2.88Å; D91-D93 PolarHBondContact O-N 2.91Å; D91-K96 HydrophobicContact CB-CD 4.04Å; D91-K96 WeakPolarHBondContact OD2-CD 3.28Å; D91-K96 WeakPolarHBondContact OD2-CE 3.44Å; D91-K96 IonicContact OD2-NZ 3.07Å; D91-K96 PolarHBondContact OD2-NZ 2.88Å; D91-Q97 PolarHBondContact O-NE2 2.87Å
92	K	72.5	Confident	87.7	Confident	214 Å²	214	61.2 Å²	61.2	93%	0.93	28%	0.278	S	S	*	.	S	Bend	trans	-70.8	-3.4	173.8	-64.4	-172.2	176.6	-172.9	0	114	E94	K92-E94 PolarHBondContact O-N 2.61Å
93	D	83.1	Confident	87.7	Confident	72 Å²	72	60.8 Å²	60.8	39%	0.385	28%	0.276	S	S	.	.			trans	-87.1	101	177.1	-178	3.4	0	0	0	109.9	D91 R95 K96 Q97	D91-D93 PolarHBondContact O-N 2.91Å; D93-R95 PolarHBondContact O-N 2.9Å; D93-R95 VanDerWaalsContact O-N 3.11Å; D93-R95 VanDerWaalsContact OD1-CB 3.26Å; D93-R95 WeakPolarHBondContact OD1-CB 3.49Å; D93-R95 PolarHBondContact OD1-N 2.93Å; D93-K96 HydrophobicContact CB-CB 4.4Å; D93-K96 HydrophobicContact CB-CD 4.29Å; D93-K96 HydrophobicContact CB-CG 4.17Å; D93-K96 WeakPolarHBondContact O-CB 3.48Å; D93-K96 PolarHBondContact O-N 3.41Å; D93-Q97 PolarHBondContact O-N 3.35Å
94	E	85.2	Confident	87.7	Confident	155 Å²	155	62.1 Å²	62.1	72%	0.724	28%	0.282	S	S	*	.	H	α-helix	trans	-51.5	-32.9	176.3	-62.3	179.7	162.5	0	0	112.2	K92 K96 Q97 E98	K92-E94 PolarHBondContact O-N 2.61Å; E94-K96 VanDerWaalsContact C-N 3.29Å; E94-K96 PolarHBondContact O-N 3.28Å; E94-Q97 PolarHBondContact O-N 3.08Å; E94-E98 WeakPolarHBondContact O-CB 3.49Å; E94-E98 PolarHBondContact O-N 3.5Å
95	R	84.6	Confident	87.6	Confident	171 Å²	171	64.6 Å²	64.6	65%	0.645	30%	0.302	S	S	*	.	H	α-helix	trans	-69.4	-26	179.1	-59	173.4	167.5	-178.9	-3.8	112.6	D93 R99	D93-R95 PolarHBondContact O-N 2.9Å; D93-R95 VanDerWaalsContact O-N 3.11Å; D93-R95 VanDerWaalsContact OD1-CB 3.26Å; D93-R95 WeakPolarHBondContact OD1-CB 3.49Å; D93-R95 PolarHBondContact OD1-N 2.93Å; R95-R99 VanDerWaalsContact O-CD 3.25Å; R95-R99 WeakPolarHBondContact O-CD 3.27Å; R95-R99 WeakPolarHBondContact O-CG 3.26Å; R95-R99 PolarHBondContact O-N 2.96Å; R95-R99 PolarHBondContact O-NE 3.4Å
96	K	86.3	Confident	87.5	Confident	40 Å²	40	65.4 Å²	65.4	17%	0.174	31%	0.306	C	S	.	.	H	α-helix	trans	-76.3	-42.4	170	-72.4	-175.8	-178.6	-169	0	110.9	D91 D93 E94 R99 R100 G245 T246	D91-K96 HydrophobicContact CB-CD 4.04Å; D91-K96 WeakPolarHBondContact OD2-CD 3.28Å; D91-K96 WeakPolarHBondContact OD2-CE 3.44Å; D91-K96 IonicContact OD2-NZ 3.07Å; D91-K96 PolarHBondContact OD2-NZ 2.88Å; D93-K96 HydrophobicContact CB-CB 4.4Å; D93-K96 HydrophobicContact CB-CD 4.29Å; D93-K96 HydrophobicContact CB-CG 4.17Å; D93-K96 WeakPolarHBondContact O-CB 3.48Å; D93-K96 PolarHBondContact O-N 3.41Å; E94-K96 VanDerWaalsContact C-N 3.29Å; E94-K96 PolarHBondContact O-N 3.28Å; K96-R99 PolarHBondContact O-N 3.45Å; K96-R100 PolarHBondContact O-N 2.99Å; K96-G245 PolarHBondContact NZ-O 3.44Å; K96-T246 HydrophobicContact CB-CG2 4.26Å
97	Q	87.4	Confident	87.5	Confident	64 Å²	64	65.4 Å²	65.4	30%	0.299	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-43.6	177.7	-64.5	-171.7	-15.3	0	0	111.5	D90 D91 D93 E94 R100 K101	D90-Q97 PolarHBondContact OD1-NE2 3.25Å; D91-Q97 PolarHBondContact O-NE2 2.87Å; D93-Q97 PolarHBondContact O-N 3.35Å; E94-Q97 PolarHBondContact O-N 3.08Å; Q97-R100 PolarHBondContact O-N 2.81Å; Q97-K101 WeakPolarHBondContact O-CG 3.08Å; Q97-K101 PolarHBondContact O-N 3.18Å; Q97-K101 VanDerWaalsContact O-N 3.09Å
98	E	87.9	Confident	87.5	Confident	90 Å²	90	70.9 Å²	70.9	42%	0.421	33%	0.332	S	S	.	.	H	α-helix	trans	-58.7	-48.9	174.6	-176.7	179.2	-138.5	0	0	111.5	E94 R100 K101 E102 R227	E94-E98 WeakPolarHBondContact O-CB 3.49Å; E94-E98 PolarHBondContact O-N 3.5Å; E98-R100 VanDerWaalsContact C-N 3.31Å; E98-R100 PolarHBondContact O-N 3.38Å; E98-K101 PolarHBondContact O-N 2.95Å; E98-E102 WeakPolarHBondContact O-CB 3.46Å; E98-E102 PolarHBondContact O-N 2.93Å; E98-R227 IonicContact OE1-CZ 3.39Å; E98-R227 IonicContact OE1-NH2 2.73Å; E98-R227 PolarHBondContact OE1-NH2 2.92Å
99	R	88	Confident	87.6	Confident	78 Å²	78	75.3 Å²	75.3	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-62.2	-33	177.9	-70.9	168.5	-168.4	-179.9	3.1	113.6	R95 K96 F103 Y225 L241	R95-R99 VanDerWaalsContact O-CD 3.25Å; R95-R99 WeakPolarHBondContact O-CD 3.27Å; R95-R99 WeakPolarHBondContact O-CG 3.26Å; R95-R99 PolarHBondContact O-N 2.96Å; R95-R99 PolarHBondContact O-NE 3.4Å; K96-R99 PolarHBondContact O-N 3.45Å; R99-F103 VanDerWaalsContact O-CB 3.29Å; R99-F103 WeakPolarHBondContact O-CB 3.37Å; R99-F103 PolarHBondContact O-N 2.65Å; R99-F103 VanDerWaalsContact O-N 3.1Å; R99-Y225 HydrophobicContact CB-CD2 4.28Å; R99-Y225 HydrophobicContact CG-CD2 4.03Å; R99-Y225 HydrophobicContact CG-CE2 4.45Å; R99-L241 HydrophobicContact CB-CD2 4.44Å
100	R	90.2	Very high	87.7	Confident	8 Å²	8	76.9 Å²	76.9	3%	0.03	36%	0.356	C	S	.	.	H	α-helix	trans	-66.1	-52	172.7	-73.3	-164.7	-66.6	-121.5	10.5	110.9	V89 K96 Q97 E98 E102 F103 E104 T246 Y247	V89-R100 PolarHBondContact O-NH1 2.86Å; V89-R100 VanDerWaalsContact O-NH1 3.1Å; K96-R100 PolarHBondContact O-N 2.99Å; Q97-R100 PolarHBondContact O-N 2.81Å; E98-R100 VanDerWaalsContact C-N 3.31Å; E98-R100 PolarHBondContact O-N 3.38Å; R100-E102 VanDerWaalsContact C-N 3.3Å; R100-E102 PolarHBondContact O-N 3.05Å; R100-F103 PolarHBondContact O-N 2.94Å; R100-F103 VanDerWaalsContact O-N 3.11Å; R100-E104 WeakPolarHBondContact O-CB 3.42Å; R100-E104 WeakPolarHBondContact O-CG 3.1Å; R100-E104 PolarHBondContact O-N 3.23Å; R100-T246 HydrophobicContact CG-CG2 3.54Å; R100-T246 PolarHBondContact NH1-O 2.79Å; R100-Y247 HydrophobicContact CG-CE1 4.17Å; R100-Y247 HydrophobicContact CG-CE2 4.22Å
101	K	90.6	Very high	88.2	Confident	146 Å²	146	75 Å²	75	64%	0.635	35%	0.353	S	S	*	.	H	α-helix	trans	-57.5	-42.1	178.8	-69.7	177.1	179.1	-179.4	0	112.3	Q97 E98 A105	Q97-K101 WeakPolarHBondContact O-CG 3.08Å; Q97-K101 PolarHBondContact O-N 3.18Å; Q97-K101 VanDerWaalsContact O-N 3.09Å; E98-K101 PolarHBondContact O-N 2.95Å; K101-A105 VanDerWaalsContact O-CB 3.27Å; K101-A105 WeakPolarHBondContact O-CB 3.42Å; K101-A105 PolarHBondContact O-N 2.94Å
102	E	90.9	Very high	89.4	Confident	38 Å²	38	72.7 Å²	72.7	18%	0.178	34%	0.34	C	S	.	.	H	α-helix	trans	-63.4	-44.3	176.1	-162.4	71.2	-146.1	0	0	112	E98 R100 N106 R227	E98-E102 WeakPolarHBondContact O-CB 3.46Å; E98-E102 PolarHBondContact O-N 2.93Å; R100-E102 VanDerWaalsContact C-N 3.3Å; R100-E102 PolarHBondContact O-N 3.05Å; E102-N106 WeakPolarHBondContact O-CB 3.08Å; E102-N106 VanDerWaalsContact O-CG 3.27Å; E102-N106 PolarHBondContact O-N 3.04Å; E102-N106 PolarHBondContact O-ND2 3.15Å; E102-R227 VanDerWaalsContact OE1-CA 3.25Å; E102-R227 WeakPolarHBondContact OE1-CA 3.25Å; E102-R227 VanDerWaalsContact OE1-CG 3.28Å; E102-R227 WeakPolarHBondContact OE1-CG 3.42Å; E102-R227 PolarHBondContact OE1-N 3.22Å; E102-R227 WeakPolarHBondContact OE2-CG 3.29Å; E102-R227 IonicContact OE2-NE 2.68Å; E102-R227 PolarHBondContact OE2-NE 2.78Å
103	F	92.3	Very high	90.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.6	-42.8	177.9	-172.5	-111.7	0	0	0	112	L86 R99 R100 N106 L107 L220 V223 I238 L241 Y247	L86-F103 HydrophobicContact CD1-CE1 4.18Å; R99-F103 VanDerWaalsContact O-CB 3.29Å; R99-F103 WeakPolarHBondContact O-CB 3.37Å; R99-F103 PolarHBondContact O-N 2.65Å; R99-F103 VanDerWaalsContact O-N 3.1Å; R100-F103 PolarHBondContact O-N 2.94Å; R100-F103 VanDerWaalsContact O-N 3.11Å; F103-N106 PolarHBondContact O-N 2.88Å; F103-L107 HydrophobicContact CD1-CD1 3.85Å; F103-L107 HydrophobicContact CD1-CG 4.42Å; F103-L107 HydrophobicContact CE1-CD1 3.66Å; F103-L107 HydrophobicContact CE1-CG 4.26Å; F103-L107 HydrophobicContact CZ-CD1 4.3Å; F103-L107 HydrophobicContact CZ-CD2 4.37Å; F103-L107 HydrophobicContact CZ-CG 4.49Å; F103-L107 WeakPolarHBondContact O-CG 3.33Å; F103-L107 PolarHBondContact O-N 2.88Å; F103-L220 HydrophobicContact CE1-CD2 3.95Å; F103-L220 HydrophobicContact CZ-CD2 3.94Å; F103-V223 HydrophobicContact CD2-CB 4.49Å; F103-V223 HydrophobicContact CD2-CG1 3.79Å; F103-V223 HydrophobicContact CE2-CB 3.86Å; F103-V223 HydrophobicContact CE2-CG1 3.65Å; F103-I238 HydrophobicContact CE1-CD1 3.94Å; F103-I238 HydrophobicContact CZ-CB 4.18Å; F103-I238 HydrophobicContact CZ-CD1 4.27Å; F103-L241 HydrophobicContact CB-CD1 4.08Å; F103-L241 HydrophobicContact CD1-CD1 3.82Å; F103-L241 HydrophobicContact CD2-CD1 3.73Å; F103-L241 HydrophobicContact CE1-CD1 4.12Å; F103-L241 HydrophobicContact CE2-CD1 4.04Å; F103-L241 HydrophobicContact CG-CD1 3.61Å; F103-L241 HydrophobicContact CZ-CD1 4.23Å; F103-Y247 AromaticContact CD1-CE2 3.85Å; F103-Y247 HydrophobicContact CD1-CE2 3.85Å; F103-Y247 HydrophobicContact CE1-CE2 4.25Å
104	E	93.8	Very high	91	Very high	30 Å²	30	63.6 Å²	63.6	14%	0.14	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-41.2	178.6	-74.8	154.9	-167.7	0	0	111.8	R100 L107 Q108 L114 L130 Y247	R100-E104 WeakPolarHBondContact O-CB 3.42Å; R100-E104 WeakPolarHBondContact O-CG 3.1Å; R100-E104 PolarHBondContact O-N 3.23Å; E104-L107 PolarHBondContact O-N 3.26Å; E104-Q108 PolarHBondContact O-N 3.32Å; E104-Q108 VanDerWaalsContact O-N 3.09Å; E104-L114 HydrophobicContact CB-CD1 4.11Å; E104-L114 HydrophobicContact CG-CD1 4.39Å; E104-L130 HydrophobicContact CG-CD2 3.93Å; E104-Y247 WeakPolarHBondContact CG-OH 3.19Å; E104-Y247 PolarHBondContact OE1-OH 2.91Å
105	A	93.1	Very high	91.4	Very high	51 Å²	51	57.4 Å²	57.4	42%	0.421	27%	0.271	S	S	.	.	H	α-helix	trans	-63.7	-40.7	171.8	0	0	0	0	0	112.2	K101 Q108 K109	K101-A105 VanDerWaalsContact O-CB 3.27Å; K101-A105 WeakPolarHBondContact O-CB 3.42Å; K101-A105 PolarHBondContact O-N 2.94Å; A105-Q108 PolarHBondContact O-N 3.4Å; A105-K109 WeakPolarHBondContact O-CB 3.28Å; A105-K109 PolarHBondContact O-N 2.83Å
106	N	92.4	Very high	91.7	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-35.1	175.4	-73.8	-25.8	0	0	0	112.4	E102 F103 K109 E110 V223 P224	E102-N106 WeakPolarHBondContact O-CB 3.08Å; E102-N106 VanDerWaalsContact O-CG 3.27Å; E102-N106 PolarHBondContact O-N 3.04Å; E102-N106 PolarHBondContact O-ND2 3.15Å; F103-N106 PolarHBondContact O-N 2.88Å; N106-K109 WeakPolarHBondContact O-CB 3.37Å; N106-K109 PolarHBondContact O-N 3.41Å; N106-E110 WeakPolarHBondContact O-CG 3.44Å; N106-E110 PolarHBondContact O-N 2.99Å; N106-V223 HydrophobicContact CB-CG1 3.82Å; N106-P224 PolarHBondContact ND2-O 3.39Å
107	L	93.8	Very high	91.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.7	-42	172.5	-71	170.5	0	0	0	111.8	F103 E104 K109 E110 G111 L112 L114 I132 I219 L220 V223	F103-L107 HydrophobicContact CD1-CD1 3.85Å; F103-L107 HydrophobicContact CD1-CG 4.42Å; F103-L107 HydrophobicContact CE1-CD1 3.66Å; F103-L107 HydrophobicContact CE1-CG 4.26Å; F103-L107 HydrophobicContact CZ-CD1 4.3Å; F103-L107 HydrophobicContact CZ-CD2 4.37Å; F103-L107 HydrophobicContact CZ-CG 4.49Å; F103-L107 WeakPolarHBondContact O-CG 3.33Å; F103-L107 PolarHBondContact O-N 2.88Å; E104-L107 PolarHBondContact O-N 3.26Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 3.11Å; L107-E110 PolarHBondContact O-N 3.14Å; L107-G111 PolarHBondContact O-N 3.12Å; L107-L112 HydrophobicContact CD2-CD1 3.79Å; L107-L112 WeakPolarHBondContact O-CB 3.15Å; L107-L112 PolarHBondContact O-N 3.13Å; L107-L114 HydrophobicContact CB-CD1 4.37Å; L107-I132 HydrophobicContact CD1-CD1 4.43Å; L107-I219 HydrophobicContact CD2-CG2 4.45Å; L107-L220 HydrophobicContact CD1-CD2 3.93Å; L107-L220 HydrophobicContact CD2-CD2 3.78Å; L107-V223 HydrophobicContact CD2-CB 4.33Å; L107-V223 HydrophobicContact CD2-CG1 4.22Å; L107-V223 HydrophobicContact CD2-CG2 4.1Å; L107-V223 HydrophobicContact CG-CG1 4.44Å
108	Q	94.3	Very high	91.6	Very high	115 Å²	115	52.8 Å²	52.8	54%	0.537	27%	0.266	S	S	.	.	H	α-helix	trans	-64.6	-35.2	173.6	-70.6	175.6	-21.8	0	0	112.1	E104 A105 G111 L114	E104-Q108 PolarHBondContact O-N 3.32Å; E104-Q108 VanDerWaalsContact O-N 3.09Å; A105-Q108 PolarHBondContact O-N 3.4Å; Q108-G111 WeakPolarHBondContact O-CA 3.44Å; Q108-G111 PolarHBondContact O-N 3.18Å; Q108-L114 HydrophobicContact CG-CD1 3.73Å; Q108-L114 HydrophobicContact CG-CG 4.01Å
109	K	92.3	Very high	91.2	Very high	119 Å²	119	52 Å²	52	52%	0.517	26%	0.261	S	S	.	.	H	α-helix	trans	-68.6	-32	176.7	-169.6	177.3	177.1	-174.4	0	113.4	A105 N106 L107 G111 E228	A105-K109 WeakPolarHBondContact O-CB 3.28Å; A105-K109 PolarHBondContact O-N 2.83Å; N106-K109 WeakPolarHBondContact O-CB 3.37Å; N106-K109 PolarHBondContact O-N 3.41Å; L107-K109 VanDerWaalsContact C-N 3.31Å; L107-K109 PolarHBondContact O-N 3.11Å; K109-G111 PolarHBondContact O-N 3.01Å; K109-E228 IonicContact NZ-OE1 3.28Å; K109-E228 PolarHBondContact NZ-OE1 3.49Å; K109-E228 IonicContact NZ-OE2 3.41Å; K109-E228 PolarHBondContact NZ-OE2 3.44Å
110	E	90.2	Very high	90.5	Very high	86 Å²	86	52 Å²	52	40%	0.402	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	5.3	168.5	-56.4	-75.7	135.8	0	0	112.6	N106 L107 Y142 V223	N106-E110 WeakPolarHBondContact O-CG 3.44Å; N106-E110 PolarHBondContact O-N 2.99Å; L107-E110 PolarHBondContact O-N 3.14Å; E110-Y142 PolarHBondContact OE2-OH 3.32Å; E110-V223 HydrophobicContact CG-CG2 3.91Å
111	G	92.7	Very high	89.8	Confident	30 Å²	30	54.8 Å²	54.8	31%	0.309	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	10.5	174.6	0	0	0	0	0	116	L107 Q108 K109 P135 V138	L107-G111 PolarHBondContact O-N 3.12Å; Q108-G111 WeakPolarHBondContact O-CA 3.44Å; Q108-G111 PolarHBondContact O-N 3.18Å; K109-G111 PolarHBondContact O-N 3.01Å; G111-P135 WeakPolarHBondContact O-CD 3.41Å; G111-P135 WeakPolarHBondContact O-CG 3.29Å; G111-V138 WeakPolarHBondContact O-CG2 3.5Å
112	L	95.3	Very high	89	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	26%	0.258	C	S	.	.			trans	-79.8	136.2	175.5	-68.8	174.8	0	0	0	111.8	L107 I132 A134 V138 V216 I219	L107-L112 HydrophobicContact CD2-CD1 3.79Å; L107-L112 WeakPolarHBondContact O-CB 3.15Å; L107-L112 PolarHBondContact O-N 3.13Å; L112-I132 HydrophobicContact CB-CG2 4.31Å; L112-I132 HydrophobicContact CD1-CG2 4.23Å; L112-I132 HydrophobicContact CD2-CG2 4.4Å; L112-A134 HydrophobicContact CD2-CB 3.8Å; L112-V138 HydrophobicContact CD2-CG1 4.1Å; L112-V216 HydrophobicContact CD2-CG2 4.41Å; L112-I219 HydrophobicContact CD1-CB 4.28Å; L112-I219 HydrophobicContact CD1-CD1 4.15Å; L112-I219 HydrophobicContact CD1-CG2 3.76Å; L112-I219 HydrophobicContact CD2-CD1 4.02Å; L112-I219 HydrophobicContact CG-CD1 4.3Å
113	E	95	Very high	87.9	Confident	61 Å²	61	48.5 Å²	48.5	29%	0.285	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.9	179.8	-66.8	-177.4	-135.4	0	0	110.8	R80 I132 H133	R80-E113 WeakPolarHBondContact CD-OE2 3.46Å; R80-E113 IonicContact CZ-OE2 2.67Å; R80-E113 IonicContact NE-OE2 3.95Å; R80-E113 IonicContact NH1-OE2 4Å; R80-E113 PolarHBondContact NH1-OE2 2.83Å; E113-I132 WeakPolarHBondContact O-CA 3.47Å; E113-H133 HydrophobicContact CB-CB 4.24Å; E113-H133 PolarHBondContact N-O 2.83Å; E113-H133 PolarHBondContact O-N 2.65Å
114	L	94.9	Very high	86.9	Confident	33 Å²	33	51.9 Å²	51.9	17%	0.173	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.7	-171	-60.2	-173.7	0	0	0	111.3	E104 L107 Q108 L130 K131 I132	E104-L114 HydrophobicContact CB-CD1 4.11Å; E104-L114 HydrophobicContact CG-CD1 4.39Å; L107-L114 HydrophobicContact CB-CD1 4.37Å; Q108-L114 HydrophobicContact CG-CD1 3.73Å; Q108-L114 HydrophobicContact CG-CG 4.01Å; L114-L130 HydrophobicContact CB-CD1 4.06Å; L114-L130 HydrophobicContact CD1-CD1 4.34Å; L114-L130 HydrophobicContact CD1-CD2 4.46Å; L114-L130 HydrophobicContact CD2-CD1 4.46Å; L114-L130 HydrophobicContact CD2-CD2 4.22Å; L114-L130 HydrophobicContact CD2-CG 4.36Å; L114-K131 WeakPolarHBondContact CA-O 3.35Å; L114-I132 HydrophobicContact CD2-CB 4.33Å; L114-I132 HydrophobicContact CD2-CD1 4.2Å; L114-I132 HydrophobicContact CD2-CG1 3.75Å; L114-I132 HydrophobicContact CD2-CG2 4.2Å
115	E	94.3	Very high	86	Confident	26 Å²	26	55.2 Å²	55.2	12%	0.121	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	117.9	171.7	-164	-163.7	105	0	0	110.4	F75 R76 K131	F75-E115 VanDerWaalsContact CB-OE2 3.27Å; F75-E115 WeakPolarHBondContact CB-OE2 3.14Å; F75-E115 HydrophobicContact CD2-CB 3.73Å; F75-E115 HydrophobicContact CD2-CG 4.36Å; F75-E115 WeakPolarHBondContact CD2-OE2 3.44Å; F75-E115 HydrophobicContact CE2-CB 3.54Å; F75-E115 HydrophobicContact CG-CB 4.42Å; F75-E115 WeakPolarHBondContact CG-OE2 3.41Å; F75-E115 HydrophobicContact CZ-CB 4.07Å; R76-E115 WeakPolarHBondContact CD-OE1 3.33Å; R76-E115 VanDerWaalsContact CG-OE1 3.24Å; R76-E115 WeakPolarHBondContact CG-OE1 3.22Å; R76-E115 PolarHBondContact N-OE2 3.43Å; R76-E115 IonicContact NE-OE1 2.94Å; R76-E115 PolarHBondContact NE-OE1 2.81Å; E115-K131 HydrophobicContact CB-CB 4.35Å; E115-K131 PolarHBondContact N-O 3.29Å; E115-K131 PolarHBondContact O-N 3.37Å; E115-K131 VanDerWaalsContact OE1-CE 3.28Å; E115-K131 WeakPolarHBondContact OE1-CE 3.2Å; E115-K131 IonicContact OE1-NZ 2.71Å; E115-K131 PolarHBondContact OE1-NZ 3.42Å
116	T	90.7	Very high	85.5	Confident	84 Å²	84	59.4 Å²	59.4	52%	0.515	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	120.4	179.9	48.4	0	0	0	0	112.1	L130	T116-L130 HydrophobicContact CG2-CD1 3.49Å; T116-L130 VanDerWaalsContact CG2-CD1 3.49Å
117	E	86.9	Confident	85.2	Confident	11 Å²	11	58.8 Å²	58.8	5%	0.051	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	126.8	163.6	-70	-70.6	153.9	0	0	110.4	R76 F129 K131 W660	R76-E117 IonicContact CZ-OE1 2.74Å; R76-E117 IonicContact CZ-OE2 2.62Å; R76-E117 IonicContact NE-OE1 3.88Å; R76-E117 PolarHBondContact NE-OE1 3.2Å; R76-E117 IonicContact NH2-OE1 3.65Å; R76-E117 PolarHBondContact NH2-OE1 2.96Å; R76-E117 VanDerWaalsContact NH2-OE1 3.09Å; R76-E117 IonicContact NH2-OE2 2.87Å; R76-E117 PolarHBondContact NH2-OE2 2.83Å; E117-F129 HydrophobicContact CB-CB 4.15Å; E117-F129 WeakPolarHBondContact CB-O 3.45Å; E117-F129 PolarHBondContact N-O 3.04Å; E117-F129 PolarHBondContact O-N 2.91Å; E117-K131 VanDerWaalsContact CG-CE 3.43Å; E117-K131 WeakPolarHBondContact OE1-CE 3.44Å; E117-K131 IonicContact OE1-NZ 3.17Å; E117-K131 PolarHBondContact OE1-NZ 2.96Å; E117-W660 HydrophobicContact CG-CZ2 3.73Å
118	D	84.2	Confident	85	Confident	82 Å²	82	60.4 Å²	60.4	44%	0.439	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-76.6	151.8	-172.6	-138.1	-26.9	0	0	0	112	S120 E121 Y128	D118-S120 PolarHBondContact O-N 3.17Å; D118-E121 PolarHBondContact O-N 2.9Å; D118-Y128 WeakPolarHBondContact OD1-CE1 3.5Å
119	K	79.8	Confident	85	Confident	73 Å²	73	55.1 Å²	55.1	32%	0.317	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.7	-178.1	62.6	179	166.3	-126.6	0	113.4	D90 H125 Y128	D90-K119 IonicContact OD2-NZ 3.07Å; D90-K119 PolarHBondContact OD2-NZ 3.31Å; K119-H125 CarbonylContact O-C 3.57Å; K119-H125 VanDerWaalsContact O-CA 3.23Å; K119-H125 WeakPolarHBondContact O-CA 3.42Å; K119-Y128 HydrophobicContact CB-CD1 4.47Å; K119-Y128 HydrophobicContact CB-CD2 4.15Å; K119-Y128 HydrophobicContact CB-CE1 4.16Å; K119-Y128 HydrophobicContact CB-CE2 3.82Å; K119-Y128 HydrophobicContact CB-CG 4.47Å; K119-Y128 HydrophobicContact CD-CE2 3.78Å; K119-Y128 WeakPolarHBondContact CD-OH 3.42Å; K119-Y128 VanDerWaalsContact CE-OH 3.25Å; K119-Y128 WeakPolarHBondContact CE-OH 3.11Å; K119-Y128 HydrophobicContact CG-CE1 4.24Å; K119-Y128 HydrophobicContact CG-CE2 4.02Å; K119-Y128 PolarHBondContact NZ-OH 2.84Å
120	S	73.6	Confident	85	Confident	78 Å²	78	49.5 Å²	49.5	55%	0.545	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-36.7	175	47.9	0	0	0	0	112.9	D118 H125	D118-S120 PolarHBondContact O-N 3.17Å; S120-H125 PolarHBondContact O-CE1 3.19Å; S120-H125 PolarHBondContact O-ND1 2.89Å
121	E	74.2	Confident	85.2	Confident	68 Å²	68	45.5 Å²	45.5	32%	0.318	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-19	-179	-60.2	-152.4	-131.9	0	0	113	R70 R76 D118	R70-E121 IonicContact NH2-OE2 3.05Å; R70-E121 PolarHBondContact NH2-OE2 3.24Å; R76-E121 IonicContact CZ-OE1 3.56Å; R76-E121 IonicContact NH1-OE1 3.92Å; R76-E121 IonicContact NH2-OE1 2.68Å; R76-E121 PolarHBondContact NH2-OE1 3.16Å; R76-E121 IonicContact NH2-OE2 2.69Å; D118-E121 PolarHBondContact O-N 2.9Å
122	S	74.1	Confident	85.4	Confident	6 Å²	6	44 Å²	44	4%	0.042	22%	0.222	C	C	.	.	S	Bend	trans	-72.3	135.5	174.3	179	0	0	0	0	113.1	D124 H125 T127 E661	S122-D124 VanDerWaalsContact C-N 3.25Å; S122-D124 PolarHBondContact O-N 3.34Å; S122-D124 VanDerWaalsContact O-N 3.16Å; S122-H125 WeakPolarHBondContact O-CA 3.22Å; S122-H125 PolarHBondContact O-N 3.16Å; S122-H125 PolarHBondContact O-ND1 3.34Å; S122-T127 WeakPolarHBondContact CB-O 3.4Å; S122-T127 PolarHBondContact OG-O 3.34Å; S122-E661 WeakPolarHBondContact CA-OE1 3.49Å
123	K	68.7	Low	85.4	Confident	46 Å²	46	44.9 Å²	44.9	20%	0.2	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-39.7	172.8	-174.9	-164.8	-172	-178.3	0	115.1	H125 G649 Y657 E661	K123-H125 VanDerWaalsContact C-N 3.3Å; K123-G649 WeakPolarHBondContact CE-O 2.98Å; K123-Y657 HydrophobicContact CD-CD1 4.27Å; K123-Y657 HydrophobicContact CD-CE1 3.58Å; K123-Y657 HydrophobicContact CG-CE1 4.06Å; K123-E661 VanDerWaalsContact CB-OE1 3.28Å; K123-E661 WeakPolarHBondContact CB-OE1 3.26Å; K123-E661 PolarHBondContact N-OE1 3.22Å
124	D	70	Confident	85.4	Confident	70 Å²	70	42 Å²	42	37%	0.374	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2	-177.2	-71.3	-14.5	0	0	0	112.6	S122 K126	S122-D124 VanDerWaalsContact C-N 3.25Å; S122-D124 PolarHBondContact O-N 3.34Å; S122-D124 VanDerWaalsContact O-N 3.16Å; D124-K126 WeakPolarHBondContact O-CD 3.36Å; D124-K126 VanDerWaalsContact O-CG 3.3Å; D124-K126 WeakPolarHBondContact O-CG 3.3Å; D124-K126 PolarHBondContact O-N 2.9Å; D124-K126 VanDerWaalsContact O-N 3.11Å
125	H	75.5	Confident	85.4	Confident	101 Å²	101	41.7 Å²	41.7	47%	0.468	21%	0.212	S	C	.	.	S	Bend	trans	51.5	24.4	-173.9	-62.3	-48.9	0	0	0	115.5	K119 S120 S122 K123	K119-H125 CarbonylContact O-C 3.57Å; K119-H125 VanDerWaalsContact O-CA 3.23Å; K119-H125 WeakPolarHBondContact O-CA 3.42Å; S120-H125 PolarHBondContact O-CE1 3.19Å; S120-H125 PolarHBondContact O-ND1 2.89Å; S122-H125 WeakPolarHBondContact O-CA 3.22Å; S122-H125 PolarHBondContact O-N 3.16Å; S122-H125 PolarHBondContact O-ND1 3.34Å; K123-H125 VanDerWaalsContact C-N 3.3Å
126	K	82.4	Confident	85.3	Confident	139 Å²	139	42.6 Å²	42.6	60%	0.604	22%	0.215	S	C	*	.	S	Bend	trans	-142.9	-25.2	-168.6	-72.3	166	-171.3	167.6	0	114.9	D124	D124-K126 WeakPolarHBondContact O-CD 3.36Å; D124-K126 VanDerWaalsContact O-CG 3.3Å; D124-K126 WeakPolarHBondContact O-CG 3.3Å; D124-K126 PolarHBondContact O-N 2.9Å; D124-K126 VanDerWaalsContact O-N 3.11Å
127	T	86.3	Confident	85.4	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.1	-175	-53.8	0	0	0	0	109.1	Y88 S122 F129 Y664	Y88-T127 WeakPolarHBondContact O-CA 3.32Å; S122-T127 WeakPolarHBondContact CB-O 3.4Å; S122-T127 PolarHBondContact OG-O 3.34Å; T127-F129 HydrophobicContact CG2-CE1 4Å; T127-F129 HydrophobicContact CG2-CE2 4.04Å; T127-F129 HydrophobicContact CG2-CZ 3.75Å; T127-Y664 HydrophobicContact CG2-CE1 4.34Å
128	Y	90.8	Very high	85.7	Confident	33 Å²	33	44.1 Å²	44.1	13%	0.129	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	145.3	167.9	-71.5	-92.2	0	0	0	109.4	S87 Y88 D90 D118 K119	S87-Y128 WeakPolarHBondContact CA-O 3.24Å; Y88-Y128 AromaticContact CD2-CD2 3.93Å; Y88-Y128 HydrophobicContact CD2-CD2 3.93Å; Y88-Y128 HydrophobicContact CD2-CG 4.26Å; Y88-Y128 HydrophobicContact CE1-CG 4.43Å; Y88-Y128 HydrophobicContact CE2-CD1 4.39Å; Y88-Y128 AromaticContact CE2-CD2 3.33Å; Y88-Y128 HydrophobicContact CE2-CD2 3.33Å; Y88-Y128 HydrophobicContact CE2-CE2 4.1Å; Y88-Y128 AromaticContact CE2-CG 3.5Å; Y88-Y128 HydrophobicContact CE2-CG 3.5Å; Y88-Y128 AromaticContact CZ-CD2 3.95Å; Y88-Y128 AromaticContact CZ-CG 3.6Å; Y88-Y128 PolarHBondContact N-O 3.02Å; Y88-Y128 VanDerWaalsContact N-O 3.15Å; Y88-Y128 PolarHBondContact O-N 3.28Å; D90-Y128 HydrophobicContact CB-CE2 4.17Å; D118-Y128 WeakPolarHBondContact OD1-CE1 3.5Å; K119-Y128 HydrophobicContact CB-CD1 4.47Å; K119-Y128 HydrophobicContact CB-CD2 4.15Å; K119-Y128 HydrophobicContact CB-CE1 4.16Å; K119-Y128 HydrophobicContact CB-CE2 3.82Å; K119-Y128 HydrophobicContact CB-CG 4.47Å; K119-Y128 HydrophobicContact CD-CE2 3.78Å; K119-Y128 WeakPolarHBondContact CD-OH 3.42Å; K119-Y128 VanDerWaalsContact CE-OH 3.25Å; K119-Y128 WeakPolarHBondContact CE-OH 3.11Å; K119-Y128 HydrophobicContact CG-CE1 4.24Å; K119-Y128 HydrophobicContact CG-CE2 4.02Å; K119-Y128 PolarHBondContact NZ-OH 2.84Å
129	F	92.4	Very high	86.2	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	114.8	172.9	-61.3	-82.5	0	0	0	110.2	V85 E117 T127 W660 E661 Y664	V85-F129 HydrophobicContact CG1-CB 4.21Å; V85-F129 HydrophobicContact CG1-CD1 4Å; E117-F129 HydrophobicContact CB-CB 4.15Å; E117-F129 WeakPolarHBondContact CB-O 3.45Å; E117-F129 PolarHBondContact N-O 3.04Å; E117-F129 PolarHBondContact O-N 2.91Å; T127-F129 HydrophobicContact CG2-CE1 4Å; T127-F129 HydrophobicContact CG2-CE2 4.04Å; T127-F129 HydrophobicContact CG2-CZ 3.75Å; F129-W660 AromaticContact CD2-CD1 3.59Å; F129-W660 AromaticContact CD2-NE1 3.99Å; F129-W660 AromaticContact CG-CD1 3.53Å; F129-W660 HydrophobicContact CG-CG 4.48Å; F129-E661 HydrophobicContact CE2-CG 3.89Å; F129-E661 HydrophobicContact CZ-CG 4.16Å; F129-Y664 HydrophobicContact CE1-CD1 4.09Å; F129-Y664 HydrophobicContact CE1-CD2 4.06Å; F129-Y664 AromaticContact CE1-CG 3.74Å; F129-Y664 HydrophobicContact CE1-CG 3.74Å; F129-Y664 AromaticContact CZ-CD1 3.94Å; F129-Y664 HydrophobicContact CZ-CD1 3.94Å; F129-Y664 HydrophobicContact CZ-CE1 4.49Å; F129-Y664 HydrophobicContact CZ-CG 4.06Å
130	L	93.8	Very high	86.8	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	110	172.9	-176.4	75.7	0	0	0	108.4	V85 L86 E104 L114 T116	V85-L130 WeakPolarHBondContact CA-O 3.3Å; L86-L130 HydrophobicContact CB-CB 4.27Å; L86-L130 HydrophobicContact CB-CD2 4.43Å; L86-L130 HydrophobicContact CD1-CD2 4.04Å; L86-L130 HydrophobicContact CG-CD2 4.38Å; L86-L130 PolarHBondContact N-O 3.08Å; L86-L130 PolarHBondContact O-N 3.49Å; E104-L130 HydrophobicContact CG-CD2 3.93Å; L114-L130 HydrophobicContact CB-CD1 4.06Å; L114-L130 HydrophobicContact CD1-CD1 4.34Å; L114-L130 HydrophobicContact CD1-CD2 4.46Å; L114-L130 HydrophobicContact CD2-CD1 4.46Å; L114-L130 HydrophobicContact CD2-CD2 4.22Å; L114-L130 HydrophobicContact CD2-CG 4.36Å; T116-L130 HydrophobicContact CG2-CD1 3.49Å; T116-L130 VanDerWaalsContact CG2-CD1 3.49Å
131	K	94.7	Very high	87.7	Confident	1 Å²	1	35.6 Å²	35.6	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	139.6	169.6	-74.5	171.6	-85.9	-180	0	109.5	F75 I82 V85 L114 E115 E117 W660	F75-K131 HydrophobicContact CD1-CB 4.46Å; F75-K131 HydrophobicContact CE1-CB 3.83Å; F75-K131 HydrophobicContact CZ-CB 4.16Å; I82-K131 HydrophobicContact CD1-CD 3.42Å; I82-K131 VanDerWaalsContact CD1-CD 3.42Å; I82-K131 HydrophobicContact CD1-CG 3.95Å; I82-K131 HydrophobicContact CG1-CB 4.37Å; I82-K131 HydrophobicContact CG1-CD 3.81Å; I82-K131 HydrophobicContact CG1-CG 4.08Å; I82-K131 HydrophobicContact CG2-CB 4.18Å; I82-K131 HydrophobicContact CG2-CG 4.01Å; V85-K131 HydrophobicContact CG2-CG 4.31Å; L114-K131 WeakPolarHBondContact CA-O 3.35Å; E115-K131 HydrophobicContact CB-CB 4.35Å; E115-K131 PolarHBondContact N-O 3.29Å; E115-K131 PolarHBondContact O-N 3.37Å; E115-K131 VanDerWaalsContact OE1-CE 3.28Å; E115-K131 WeakPolarHBondContact OE1-CE 3.2Å; E115-K131 IonicContact OE1-NZ 2.71Å; E115-K131 PolarHBondContact OE1-NZ 3.42Å; E117-K131 VanDerWaalsContact CG-CE 3.43Å; E117-K131 WeakPolarHBondContact OE1-CE 3.44Å; E117-K131 IonicContact OE1-NZ 3.17Å; E117-K131 PolarHBondContact OE1-NZ 2.96Å; K131-W660 HydrophobicContact CD-CD2 4.5Å; K131-W660 HydrophobicContact CD-CE3 4.13Å; K131-W660 HydrophobicContact CD-CH2 4.23Å; K131-W660 HydrophobicContact CD-CZ3 3.99Å
132	I	95.8	Very high	88.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.2	179.3	-52.2	-171.1	0	0	0	109.1	D83 F84 L86 L107 L112 E113 L114 V216 L220	D83-I132 PolarHBondContact N-O 2.92Å; F84-I132 HydrophobicContact CB-CB 4.12Å; F84-I132 PolarHBondContact N-O 3.43Å; F84-I132 PolarHBondContact O-N 3.47Å; L86-I132 HydrophobicContact CD1-CD1 4.18Å; L86-I132 HydrophobicContact CG-CD1 3.96Å; L107-I132 HydrophobicContact CD1-CD1 4.43Å; L112-I132 HydrophobicContact CB-CG2 4.31Å; L112-I132 HydrophobicContact CD1-CG2 4.23Å; L112-I132 HydrophobicContact CD2-CG2 4.4Å; E113-I132 WeakPolarHBondContact O-CA 3.47Å; L114-I132 HydrophobicContact CD2-CB 4.33Å; L114-I132 HydrophobicContact CD2-CD1 4.2Å; L114-I132 HydrophobicContact CD2-CG1 3.75Å; L114-I132 HydrophobicContact CD2-CG2 4.2Å; I132-V216 HydrophobicContact CG2-CG1 3.92Å; I132-L220 HydrophobicContact CD1-CD1 4.31Å; I132-L220 HydrophobicContact CD1-CD2 4Å
133	H	95.3	Very high	89.3	Confident	20 Å²	20	33.9 Å²	33.9	9%	0.093	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.3	170.8	175.1	72.1	0	0	0	109.7	F75 R80 R81 D83 E113 R212	F75-H133 HydrophobicContact CD1-CB 4.49Å; F75-H133 HydrophobicContact CE1-CB 3.67Å; F75-H133 HydrophobicContact CE2-CB 4.2Å; F75-H133 HydrophobicContact CZ-CB 3.5Å; R80-H133 HydrophobicContact CB-CB 4.46Å; R81-H133 PolarHBondContact N-ND1 2.87Å; R81-H133 PolarHBondContact O-ND1 2.67Å; D83-H133 IonicContact OD2-ND1 2.68Å; E113-H133 HydrophobicContact CB-CB 4.24Å; E113-H133 PolarHBondContact N-O 2.83Å; E113-H133 PolarHBondContact O-N 2.65Å; H133-R212 PolarHBondContact CE1-NH2 3.25Å; H133-R212 VanDerWaalsContact CE1-NH2 3.28Å; H133-R212 PolarHBondContact ND1-NH2 3.45Å
134	A	95	Very high	90.2	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.			trans	-99.5	116.3	167.5	0	0	0	0	0	110.5	D83 L112 L139 R212 V216	D83-A134 PolarHBondContact OD2-N 3.37Å; L112-A134 HydrophobicContact CD2-CB 3.8Å; A134-L139 HydrophobicContact CB-CD1 4.3Å; A134-L139 HydrophobicContact CB-CD2 3.71Å; A134-L139 HydrophobicContact CB-CG 3.77Å; A134-L139 WeakPolarHBondContact O-CD1 3.24Å; A134-R212 PolarHBondContact O-NH2 3.14Å; A134-V216 HydrophobicContact CB-CG2 3.68Å
135	P	94.8	Very high	91	Very high	28 Å²	28	34 Å²	34	18%	0.182	17%	0.166	C	C	.	.			trans	-70	162.5	174	28.5	-33.6	0	0	0	111.4	G111 E137 V138 L139	G111-P135 WeakPolarHBondContact O-CD 3.41Å; G111-P135 WeakPolarHBondContact O-CG 3.29Å; P135-E137 VanDerWaalsContact C-N 3.28Å; P135-E137 PolarHBondContact O-N 2.86Å; P135-V138 HydrophobicContact CG-CB 4.24Å; P135-V138 HydrophobicContact CG-CG2 3.91Å; P135-V138 PolarHBondContact O-N 2.93Å; P135-V138 VanDerWaalsContact O-N 3.16Å; P135-L139 PolarHBondContact O-N 3.5Å; P135-L139 VanDerWaalsContact O-N 3.07Å
136	W	92.6	Very high	91.3	Very high	45 Å²	45	30.2 Å²	30.2	17%	0.17	15%	0.149	C	C	.	.	H	α-helix	trans	-50.9	-44.2	-176.3	175	-94.9	0	0	0	113.5	V138 L139 A140 F190 M195 I200 K203 F206 F207	W136-V138 VanDerWaalsContact C-N 3.33Å; W136-V138 PolarHBondContact O-N 3.11Å; W136-L139 PolarHBondContact O-N 3.33Å; W136-A140 WeakPolarHBondContact O-CB 3.17Å; W136-A140 PolarHBondContact O-N 2.9Å; W136-F190 HydrophobicContact CZ2-CZ 4.43Å; W136-M195 HydrophobicContact CZ2-CE 3.67Å; W136-I200 HydrophobicContact CH2-CD1 4.29Å; W136-I200 HydrophobicContact CH2-CG2 4.23Å; W136-I200 HydrophobicContact CZ2-CD1 4.17Å; W136-K203 HydrophobicContact CD2-CB 3.95Å; W136-K203 HydrophobicContact CD2-CD 4.21Å; W136-K203 HydrophobicContact CD2-CG 4.11Å; W136-K203 HydrophobicContact CE3-CB 3.64Å; W136-K203 HydrophobicContact CE3-CG 4.15Å; W136-K203 HydrophobicContact CG-CB 4.49Å; W136-K203 HydrophobicContact CG-CD 4.33Å; W136-K203 HydrophobicContact CH2-CG 4.45Å; W136-K203 HydrophobicContact CZ2-CG 4.44Å; W136-K203 HydrophobicContact CZ3-CB 3.99Å; W136-K203 HydrophobicContact CZ3-CG 4.3Å; W136-K203 VanDerWaalsContact CZ3-O 3.26Å; W136-K203 WeakPolarHBondContact CZ3-O 3.23Å; W136-F206 AromaticContact CH2-CD1 3.65Å; W136-F206 HydrophobicContact CH2-CD1 3.65Å; W136-F206 HydrophobicContact CH2-CE1 4.13Å; W136-F206 HydrophobicContact CH2-CG 4.31Å; W136-F206 HydrophobicContact CZ3-CB 4.24Å; W136-F206 AromaticContact CZ3-CD1 3.91Å; W136-F206 HydrophobicContact CZ3-CD1 3.91Å; W136-F206 HydrophobicContact CZ3-CG 4.44Å; W136-F207 HydrophobicContact CE3-CD2 4.14Å; W136-F207 HydrophobicContact CE3-CE2 4.09Å; W136-F207 HydrophobicContact CH2-CD2 4.2Å; W136-F207 AromaticContact CH2-CE2 3.66Å; W136-F207 HydrophobicContact CH2-CE2 3.66Å; W136-F207 HydrophobicContact CH2-CZ 4.41Å; W136-F207 HydrophobicContact CZ2-CE2 4.39Å; W136-F207 AromaticContact CZ3-CD2 3.59Å; W136-F207 HydrophobicContact CZ3-CD2 3.59Å; W136-F207 AromaticContact CZ3-CE2 3.48Å; W136-F207 HydrophobicContact CZ3-CE2 3.48Å; W136-F207 VanDerWaalsContact CZ3-CE2 3.48Å
137	E	92.8	Very high	91.4	Very high	111 Å²	111	26.6 Å²	26.6	52%	0.519	14%	0.136	S	C	.	.	H	α-helix	trans	-65.4	-36.3	-175.1	-178.8	63.8	177.2	0	0	112.7	P135 T141 K192	P135-E137 VanDerWaalsContact C-N 3.28Å; P135-E137 PolarHBondContact O-N 2.86Å; E137-T141 WeakPolarHBondContact O-CB 3.48Å; E137-T141 PolarHBondContact O-N 3.22Å; E137-T141 VanDerWaalsContact O-N 3.09Å; E137-T141 PolarHBondContact O-OG1 3.33Å; E137-K192 VanDerWaalsContact CD-NZ 3.26Å; E137-K192 WeakPolarHBondContact OE1-CE 3.47Å; E137-K192 IonicContact OE1-NZ 3.98Å; E137-K192 PolarHBondContact OE1-NZ 3.25Å; E137-K192 WeakPolarHBondContact OE2-CE 3.39Å; E137-K192 IonicContact OE2-NZ 3.98Å; E137-K192 PolarHBondContact OE2-NZ 3.22Å
138	V	93.8	Very high	91.4	Very high	15 Å²	15	26.9 Å²	26.9	9%	0.091	14%	0.137	C	C	.	.	H	α-helix	trans	-69.8	-45.5	173.6	171.8	0	0	0	0	110.2	G111 L112 P135 W136 T141 Y142 I219	G111-V138 WeakPolarHBondContact O-CG2 3.5Å; L112-V138 HydrophobicContact CD2-CG1 4.1Å; P135-V138 HydrophobicContact CG-CB 4.24Å; P135-V138 HydrophobicContact CG-CG2 3.91Å; P135-V138 PolarHBondContact O-N 2.93Å; P135-V138 VanDerWaalsContact O-N 3.16Å; W136-V138 VanDerWaalsContact C-N 3.33Å; W136-V138 PolarHBondContact O-N 3.11Å; V138-T141 PolarHBondContact O-N 3.14Å; V138-Y142 HydrophobicContact CG1-CD2 3.7Å; V138-Y142 HydrophobicContact CG1-CE2 3.82Å; V138-Y142 VanDerWaalsContact O-CD2 3.32Å; V138-Y142 WeakPolarHBondContact O-CD2 3.46Å; V138-Y142 PolarHBondContact O-N 2.86Å; V138-I219 HydrophobicContact CG1-CD1 3.93Å
139	L	93.8	Very high	91.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-46.2	177.7	-70.6	169.9	0	0	0	112.2	A134 P135 W136 A143 F207 R212 I215	A134-L139 HydrophobicContact CB-CD1 4.3Å; A134-L139 HydrophobicContact CB-CD2 3.71Å; A134-L139 HydrophobicContact CB-CG 3.77Å; A134-L139 WeakPolarHBondContact O-CD1 3.24Å; P135-L139 PolarHBondContact O-N 3.5Å; P135-L139 VanDerWaalsContact O-N 3.07Å; W136-L139 PolarHBondContact O-N 3.33Å; L139-A143 WeakPolarHBondContact O-CB 3.4Å; L139-A143 PolarHBondContact O-N 3.46Å; L139-F207 HydrophobicContact CB-CD2 3.99Å; L139-F207 HydrophobicContact CB-CE2 4.01Å; L139-F207 HydrophobicContact CD1-CD2 4.33Å; L139-R212 HydrophobicContact CD1-CG 4.25Å; L139-R212 VanDerWaalsContact CD1-CZ 3.49Å; L139-R212 VanDerWaalsContact CD1-NH1 3.28Å; L139-R212 HydrophobicContact CD2-CB 4.39Å; L139-R212 HydrophobicContact CD2-CG 4.22Å; L139-I215 HydrophobicContact CD2-CB 4.22Å; L139-I215 HydrophobicContact CD2-CD1 3.67Å; L139-I215 HydrophobicContact CD2-CG2 4.12Å
140	A	93.1	Very high	90.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.8	-47.1	176.8	0	0	0	0	0	111.3	W136 A143 D144 F190	W136-A140 WeakPolarHBondContact O-CB 3.17Å; W136-A140 PolarHBondContact O-N 2.9Å; A140-A143 PolarHBondContact O-N 3.18Å; A140-D144 WeakPolarHBondContact O-CB 3.34Å; A140-D144 PolarHBondContact O-N 3.39Å; A140-D144 VanDerWaalsContact O-N 3.09Å; A140-F190 HydrophobicContact CB-CE1 3.72Å; A140-F190 HydrophobicContact CB-CZ 3.97Å; A140-F190 WeakPolarHBondContact O-CE1 3.33Å
141	T	92.7	Very high	90.7	Very high	54 Å²	54	28.8 Å²	28.8	33%	0.331	15%	0.15	S	C	.	.	H	α-helix	trans	-65	-42.1	-178.7	-53.2	0	0	0	0	112.3	E137 V138 V145 K192	E137-T141 WeakPolarHBondContact O-CB 3.48Å; E137-T141 PolarHBondContact O-N 3.22Å; E137-T141 VanDerWaalsContact O-N 3.09Å; E137-T141 PolarHBondContact O-OG1 3.33Å; V138-T141 PolarHBondContact O-N 3.14Å; T141-V145 WeakPolarHBondContact O-CG2 3.35Å; T141-V145 PolarHBondContact O-N 2.99Å; T141-K192 PolarHBondContact OG1-NZ 3.49Å
142	Y	90.3	Very high	90.4	Very high	39 Å²	39	29.3 Å²	29.3	15%	0.153	15%	0.153	C	C	.	.	H	α-helix	trans	-80.7	-19.4	175.2	-72.2	-70.8	0	0	0	113.8	E110 V138 L146 I215 Y218 I219	E110-Y142 PolarHBondContact OE2-OH 3.32Å; V138-Y142 HydrophobicContact CG1-CD2 3.7Å; V138-Y142 HydrophobicContact CG1-CE2 3.82Å; V138-Y142 VanDerWaalsContact O-CD2 3.32Å; V138-Y142 WeakPolarHBondContact O-CD2 3.46Å; V138-Y142 PolarHBondContact O-N 2.86Å; Y142-L146 WeakPolarHBondContact O-CB 3.36Å; Y142-L146 WeakPolarHBondContact O-CD1 3.39Å; Y142-L146 WeakPolarHBondContact O-CG 3.4Å; Y142-L146 PolarHBondContact O-N 2.61Å; Y142-I215 HydrophobicContact CD2-CG2 4.37Å; Y142-I215 HydrophobicContact CG-CG2 4.29Å; Y142-Y218 HydrophobicContact CD1-CD1 4.3Å; Y142-Y218 HydrophobicContact CD1-CE1 4.23Å; Y142-Y218 HydrophobicContact CE1-CE1 4.47Å; Y142-I219 HydrophobicContact CD1-CG1 4.47Å; Y142-I219 HydrophobicContact CD2-CD1 3.55Å; Y142-I219 HydrophobicContact CD2-CG1 3.88Å; Y142-I219 HydrophobicContact CE1-CG1 4.2Å; Y142-I219 HydrophobicContact CE2-CD1 3.38Å; Y142-I219 HydrophobicContact CE2-CG1 3.55Å; Y142-I219 HydrophobicContact CG-CD1 4.36Å; Y142-I219 HydrophobicContact CG-CG1 4.32Å
143	A	90.1	Very high	89.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.1	-40.1	171.1	0	0	0	0	0	111.4	L139 A140 L146 N147 I148 F190 F207	L139-A143 WeakPolarHBondContact O-CB 3.4Å; L139-A143 PolarHBondContact O-N 3.46Å; A140-A143 PolarHBondContact O-N 3.18Å; A143-L146 CarbonylContact O-C 3.4Å; A143-L146 PolarHBondContact O-N 2.84Å; A143-N147 PolarHBondContact O-N 3.03Å; A143-N147 VanDerWaalsContact O-N 3.11Å; A143-I148 HydrophobicContact CB-CB 4.16Å; A143-I148 HydrophobicContact CB-CD1 4.09Å; A143-I148 HydrophobicContact CB-CG1 4.34Å; A143-I148 PolarHBondContact O-N 2.92Å; A143-F190 HydrophobicContact CB-CB 4.34Å; A143-F190 HydrophobicContact CB-CD1 3.82Å; A143-F190 HydrophobicContact CB-CG 4.29Å; A143-F207 HydrophobicContact CB-CE1 3.88Å; A143-F207 HydrophobicContact CB-CZ 3.7Å
144	D	89.3	Confident	89.2	Confident	49 Å²	49	35.1 Å²	35.1	26%	0.262	18%	0.182	S	C	.	.	H	α-helix	trans	-62.1	-57.4	172.5	-167.9	-44.4	0	0	0	110.8	A140 L146 N147 F190 K192	A140-D144 WeakPolarHBondContact O-CB 3.34Å; A140-D144 PolarHBondContact O-N 3.39Å; A140-D144 VanDerWaalsContact O-N 3.09Å; D144-L146 PolarHBondContact O-N 3.3Å; D144-N147 PolarHBondContact O-N 3.45Å; D144-F190 WeakPolarHBondContact CA-O 3.35Å; D144-F190 HydrophobicContact CB-CD1 4.35Å; D144-K192 HydrophobicContact CB-CB 4.4Å; D144-K192 VanDerWaalsContact OD2-CB 3.24Å; D144-K192 WeakPolarHBondContact OD2-CB 3.32Å; D144-K192 PolarHBondContact OD2-N 2.91Å
145	V	85.7	Confident	88.4	Confident	69 Å²	69	36.4 Å²	36.4	42%	0.418	19%	0.191	S	C	.	.	H	α-helix	trans	-58.3	-21.8	177	170.9	0	0	0	0	114	T141	T141-V145 WeakPolarHBondContact O-CG2 3.35Å; T141-V145 PolarHBondContact O-N 2.99Å
146	L	81.6	Confident	87.4	Confident	22 Å²	22	38.6 Å²	38.6	12%	0.115	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	7.4	177	-67.2	173.2	0	0	0	113.9	Y142 A143 D144 I148 I215 Y218	Y142-L146 WeakPolarHBondContact O-CB 3.36Å; Y142-L146 WeakPolarHBondContact O-CD1 3.39Å; Y142-L146 WeakPolarHBondContact O-CG 3.4Å; Y142-L146 PolarHBondContact O-N 2.61Å; A143-L146 CarbonylContact O-C 3.4Å; A143-L146 PolarHBondContact O-N 2.84Å; D144-L146 PolarHBondContact O-N 3.3Å; L146-I148 HydrophobicContact CB-CD1 4.18Å; L146-I148 HydrophobicContact CB-CG1 3.81Å; L146-I148 HydrophobicContact CD1-CD1 4.43Å; L146-I148 PolarHBondContact O-N 2.7Å; L146-I215 HydrophobicContact CD1-CG1 4.36Å; L146-Y218 HydrophobicContact CD1-CD1 4.07Å; L146-Y218 HydrophobicContact CD1-CE1 4.48Å; L146-Y218 HydrophobicContact CD1-CG 4.17Å; L146-Y218 HydrophobicContact CD2-CD1 4.21Å; L146-Y218 HydrophobicContact CD2-CD2 4.05Å; L146-Y218 HydrophobicContact CD2-CE1 3.94Å; L146-Y218 HydrophobicContact CD2-CE2 3.78Å; L146-Y218 HydrophobicContact CD2-CG 4.25Å; L146-Y218 HydrophobicContact CG-CD1 4.45Å; L146-Y218 HydrophobicContact CG-CE1 4.37Å
147	N	84.7	Confident	86.1	Confident	62 Å²	62	37.1 Å²	37.1	33%	0.332	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	45.7	-175.5	-75.9	-61.7	0	0	0	112.9	A143 D144 K149 P189	A143-N147 PolarHBondContact O-N 3.03Å; A143-N147 VanDerWaalsContact O-N 3.11Å; D144-N147 PolarHBondContact O-N 3.45Å; N147-K149 PolarHBondContact O-N 2.99Å; N147-P189 HydrophobicContact CB-CB 4.24Å
148	I	85.6	Confident	84.5	Confident	11 Å²	11	40.3 Å²	40.3	6%	0.056	21%	0.211	C	C	.	.			trans	-71.1	107.8	-176.7	-59.4	-174.8	0	0	0	109	A143 L146 V150 F190 T211 I215	A143-I148 HydrophobicContact CB-CB 4.16Å; A143-I148 HydrophobicContact CB-CD1 4.09Å; A143-I148 HydrophobicContact CB-CG1 4.34Å; A143-I148 PolarHBondContact O-N 2.92Å; L146-I148 HydrophobicContact CB-CD1 4.18Å; L146-I148 HydrophobicContact CB-CG1 3.81Å; L146-I148 HydrophobicContact CD1-CD1 4.43Å; L146-I148 PolarHBondContact O-N 2.7Å; I148-V150 HydrophobicContact CG2-CG1 4.39Å; I148-V150 PolarHBondContact O-N 3.47Å; I148-F190 WeakPolarHBondContact O-CB 3.16Å; I148-F190 PolarHBondContact O-N 3.17Å; I148-T211 HydrophobicContact CD1-CG2 4.01Å; I148-T211 HydrophobicContact CG2-CG2 4.12Å; I148-I215 HydrophobicContact CD1-CD1 3.79Å; I148-I215 HydrophobicContact CD1-CG1 3.78Å
149	K	86.2	Confident	82.9	Confident	35 Å²	35	44.7 Å²	44.7	15%	0.152	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	132.6	170.4	-64.1	-168.6	175.2	-162.7	0	111.5	N147 Y188 P189 D414 D417	N147-K149 PolarHBondContact O-N 2.99Å; K149-Y188 WeakPolarHBondContact CA-O 3.17Å; K149-P189 HydrophobicContact CG-CG 4.21Å; K149-D414 HydrophobicContact CD-CB 4.27Å; K149-D417 IonicContact NZ-OD2 3.2Å; K149-D417 PolarHBondContact NZ-OD2 2.96Å
150	V	88.6	Confident	80.8	Confident	9 Å²	9	47.1 Å²	47.1	6%	0.055	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	158.4	-176.4	-72.1	0	0	0	0	110.3	I148 T187 Y188 F190 F198 F206 F207	I148-V150 HydrophobicContact CG2-CG1 4.39Å; I148-V150 PolarHBondContact O-N 3.47Å; V150-T187 VanDerWaalsContact O-CA 3.24Å; V150-T187 WeakPolarHBondContact O-CA 3.44Å; V150-T187 WeakPolarHBondContact O-CB 3.34Å; V150-Y188 WeakPolarHBondContact CG2-O 3.24Å; V150-Y188 PolarHBondContact N-O 2.65Å; V150-Y188 PolarHBondContact O-N 3.15Å; V150-F190 HydrophobicContact CG1-CB 4.38Å; V150-F190 HydrophobicContact CG2-CB 3.81Å; V150-F190 HydrophobicContact CG2-CD2 4.02Å; V150-F190 HydrophobicContact CG2-CG 4.42Å; V150-F198 HydrophobicContact CG2-CD1 3.41Å; V150-F198 VanDerWaalsContact CG2-CD1 3.41Å; V150-F198 HydrophobicContact CG2-CE1 3.53Å; V150-F198 HydrophobicContact CG2-CG 4.16Å; V150-F198 HydrophobicContact CG2-CZ 4.37Å; V150-F206 HydrophobicContact CB-CE1 4.25Å; V150-F206 HydrophobicContact CB-CZ 3.73Å; V150-F206 HydrophobicContact CG1-CE1 3.88Å; V150-F206 HydrophobicContact CG1-CZ 3.89Å; V150-F206 HydrophobicContact CG2-CZ 4.11Å; V150-F207 HydrophobicContact CG1-CE1 4.03Å
151	P	89.2	Confident	78.6	Confident	34 Å²	34	53.2 Å²	53.2	22%	0.221	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.2	179.6	28.2	-36.7	0	0	0	112.8	Y185 L199 F206	P151-Y185 HydrophobicContact CB-CD1 3.74Å; P151-Y185 HydrophobicContact CB-CD2 4.04Å; P151-Y185 HydrophobicContact CB-CE1 4.45Å; P151-Y185 HydrophobicContact CB-CG 3.5Å; P151-L199 PolarHBondContact O-N 3.45Å; P151-L199 VanDerWaalsContact O-N 3.17Å; P151-F206 HydrophobicContact CG-CE2 4.32Å
152	F	87.4	Confident	76.4	Confident	13 Å²	13	55.3 Å²	55.3	6%	0.057	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	-21	173.1	79.6	-91.6	0	0	0	113.8	F186 F197 F198 I877 Y880	F152-F186 HydrophobicContact CD1-CB 4.2Å; F152-F186 WeakPolarHBondContact CD1-O 3.33Å; F152-F186 HydrophobicContact CE1-CB 3.47Å; F152-F186 VanDerWaalsContact CE1-CB 3.47Å; F152-F186 HydrophobicContact CZ-CB 3.66Å; F152-F186 PolarHBondContact N-O 3.41Å; F152-F186 VanDerWaalsContact N-O 3.08Å; F152-F197 HydrophobicContact CB-CD1 3.84Å; F152-F197 HydrophobicContact CB-CE1 3.63Å; F152-F197 HydrophobicContact CB-CZ 4.38Å; F152-F197 WeakPolarHBondContact CB-O 3.41Å; F152-F197 HydrophobicContact CD1-CE1 4.18Å; F152-F197 HydrophobicContact CD2-CD1 4.47Å; F152-F197 AromaticContact CD2-CE1 3.64Å; F152-F197 HydrophobicContact CD2-CE1 3.64Å; F152-F197 HydrophobicContact CD2-CE2 4.28Å; F152-F197 AromaticContact CD2-CZ 3.52Å; F152-F197 HydrophobicContact CD2-CZ 3.52Å; F152-F197 HydrophobicContact CE2-CE1 4.34Å; F152-F197 AromaticContact CE2-CZ 3.91Å; F152-F197 HydrophobicContact CE2-CZ 3.91Å; F152-F197 HydrophobicContact CG-CD1 4.27Å; F152-F197 AromaticContact CG-CE1 3.55Å; F152-F197 HydrophobicContact CG-CE1 3.55Å; F152-F197 AromaticContact CG-CZ 3.95Å; F152-F197 HydrophobicContact CG-CZ 3.95Å; F152-F198 HydrophobicContact CB-CD1 3.94Å; F152-F198 HydrophobicContact CB-CE1 4.43Å; F152-I877 HydrophobicContact CE1-CD1 4.41Å; F152-I877 HydrophobicContact CE1-CG1 3.69Å; F152-I877 HydrophobicContact CZ-CG1 3.71Å; F152-Y880 AromaticContact CE2-CD2 3.82Å; F152-Y880 HydrophobicContact CE2-CD2 3.82Å; F152-Y880 HydrophobicContact CE2-CG 4.16Å; F152-Y880 HydrophobicContact CZ-CD2 4.41Å
153	K	84.6	Confident	74.3	Confident	54 Å²	54	58.7 Å²	58.7	24%	0.235	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	148.4	172.2	-177.3	176.8	152.8	161.5	0	110.9	D156 Y185 F186 Y880	K153-D156 WeakPolarHBondContact CE-OD1 3.31Å; K153-D156 WeakPolarHBondContact CE-OD2 3.34Å; K153-D156 IonicContact NZ-OD1 3.12Å; K153-D156 PolarHBondContact NZ-OD1 3.21Å; K153-D156 IonicContact NZ-OD2 2.76Å; K153-D156 PolarHBondContact NZ-OD2 3.07Å; K153-Y185 CarbonylContact O-C 3.58Å; K153-Y185 WeakPolarHBondContact O-CA 3.49Å; K153-F186 HydrophobicContact CB-CD2 4.49Å; K153-F186 PolarHBondContact O-N 2.9Å; K153-Y880 HydrophobicContact CD-CE1 4.22Å; K153-Y880 HydrophobicContact CD-CE2 3.93Å; K153-Y880 PolarHBondContact NZ-OH 3.02Å
154	D	81.4	Confident	72.1	Confident	88 Å²	88	68 Å²	68	47%	0.471	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	147.6	168.2	-57.7	-64.1	0	0	0	112.8	D156 Y185 F186	D154-D156 PolarHBondContact O-N 2.8Å; D154-Y185 WeakPolarHBondContact OD1-CE1 3.19Å; D154-F186 WeakPolarHBondContact O-CD2 3.37Å
155	S	78.1	Confident	70.3	Confident	27 Å²	27	71 Å²	71	19%	0.189	39%	0.387	C	S	.	.			trans	-74.9	107.4	-179.6	-178.3	0	0	0	0	112.8	M157 D184	S155-M157 PolarHBondContact O-N 3.4Å; S155-M157 WeakPolarHBondContact OG-CB 3.28Å; S155-M157 VanDerWaalsContact OG-CE 3.31Å; S155-M157 WeakPolarHBondContact OG-CE 3.12Å; S155-M157 PolarHBondContact OG-N 3.19Å; S155-D184 WeakPolarHBondContact CB-O 3.47Å; S155-D184 PolarHBondContact N-O 2.8Å
156	D	74	Confident	68.9	Low	74 Å²	74	70.9 Å²	70.9	40%	0.396	38%	0.384	S	S	.	.			trans	-67.8	18.6	168.7	-58.7	-45.2	0	0	0	113	K153 D154 F186 R872	K153-D156 WeakPolarHBondContact CE-OD1 3.31Å; K153-D156 WeakPolarHBondContact CE-OD2 3.34Å; K153-D156 IonicContact NZ-OD1 3.12Å; K153-D156 PolarHBondContact NZ-OD1 3.21Å; K153-D156 IonicContact NZ-OD2 2.76Å; K153-D156 PolarHBondContact NZ-OD2 3.07Å; D154-D156 PolarHBondContact O-N 2.8Å; D156-F186 HydrophobicContact CB-CE2 4.24Å; D156-R872 VanDerWaalsContact CB-NH2 3.29Å; D156-R872 PolarHBondContact O-NH1 2.96Å; D156-R872 PolarHBondContact O-NH2 3.33Å
157	M	65.3	Low	67.9	Low	14 Å²	14	81 Å²	81	7%	0.069	42%	0.421	C	S	.	.			trans	-113	102.5	-178.1	-62.7	177.7	-65.2	0	0	110.3	S155 H159 F186 Y411 R869	S155-M157 PolarHBondContact O-N 3.4Å; S155-M157 WeakPolarHBondContact OG-CB 3.28Å; S155-M157 VanDerWaalsContact OG-CE 3.31Å; S155-M157 WeakPolarHBondContact OG-CE 3.12Å; S155-M157 PolarHBondContact OG-N 3.19Å; M157-H159 PolarHBondContact O-N 2.99Å; M157-F186 HydrophobicContact CE-CD1 4.17Å; M157-F186 HydrophobicContact CE-CE1 3.37Å; M157-F186 HydrophobicContact CE-CZ 3.84Å; M157-F186 HydrophobicContact CG-CZ 4.18Å; M157-F186 HydrophobicContact SD-CE1 4.05Å; M157-F186 HydrophobicContact SD-CZ 4.31Å; M157-Y411 VanDerWaalsContact CE-OH 3.3Å; M157-Y411 WeakPolarHBondContact CE-OH 3.1Å; M157-R869 HydrophobicContact SD-CB 4.15Å; M157-R869 HydrophobicContact SD-CG 3.79Å
158	Q	58.9	Low	66.7	Low	178 Å²	178	83.7 Å²	83.7	83%	0.832	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-51	135	168.4	-69.2	177	-12.7	0	0	110.1	G160 R869	Q158-G160 PolarHBondContact O-N 3.41Å; Q158-R869 PolarHBondContact O-NH2 2.9Å
159	H	59.6	Low	65.7	Low	107 Å²	107	84.9 Å²	84.9	50%	0.495	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-60.3	135.3	158.1	-80.4	61.8	0	0	0	107.1	M157 H180 D184	M157-H159 PolarHBondContact O-N 2.99Å; H159-H180 AromaticContact NE2-CE1 3.53Å; H159-H180 AromaticContact NE2-ND1 3.88Å; H159-D184 IonicContact CE1-OD1 3.47Å; H159-D184 IonicContact CE1-OD2 3.32Å; H159-D184 PolarHBondContact CE1-OD2 2.95Å; H159-D184 VanDerWaalsContact CE1-OD2 3.22Å; H159-D184 IonicContact ND1-OD2 2.78Å
160	G	51.5	Low	64.6	Low	51 Å²	51	87.2 Å²	87.2	53%	0.526	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-61.4	148.3	170	0	0	0	0	0	108.7	Q158 D162	Q158-G160 PolarHBondContact O-N 3.41Å; G160-D162 PolarHBondContact O-N 3.23Å
161	P	45.2	Very low	63.7	Low	128 Å²	128	90.3 Å²	90.3	83%	0.831	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-56	129.6	172.9	25.6	-33.5	0	0	0	108.4
162	D	46.4	Very low	63	Low	97 Å²	97	93.5 Å²	93.5	52%	0.519	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-61.3	162.8	169.5	-94	-29.3	0	0	0	110	G160 H164 R173	G160-D162 PolarHBondContact O-N 3.23Å; D162-H164 PolarHBondContact O-N 2.89Å; D162-R173 VanDerWaalsContact CG-NH2 3.26Å; D162-R173 IonicContact OD2-CZ 3.45Å; D162-R173 IonicContact OD2-NE 3.04Å; D162-R173 IonicContact OD2-NH2 3.64Å; D162-R173 PolarHBondContact OD2-NH2 3.1Å
163	V	47.6	Very low	62.5	Low	111 Å²	111	95.2 Å²	95.2	67%	0.673	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-53	136.2	-165.2	-175.6	0	0	0	0	111.6	L165 D166	V163-L165 PolarHBondContact O-N 3.11Å; V163-D166 PolarHBondContact O-N 2.87Å
164	H	43.3	Very low	62.2	Low	195 Å²	195	92.9 Å²	92.9	90%	0.903	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	1.5	178.8	-93.3	-75.4	0	0	0	117.5	D162	D162-H164 PolarHBondContact O-N 2.89Å
165	L	52.1	Low	62	Low	111 Å²	111	91.3 Å²	91.3	58%	0.581	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	18.2	178.9	-101.4	71.6	0	0	0	113.7	V163 W167 L168	V163-L165 PolarHBondContact O-N 3.11Å; L165-W167 PolarHBondContact O-N 3.05Å; L165-L168 HydrophobicContact CD2-CD1 3.81Å; L165-L168 HydrophobicContact CG-CD1 4.13Å; L165-L168 PolarHBondContact O-N 3.2Å
166	D	55	Low	61.7	Low	68 Å²	68	95.3 Å²	95.3	36%	0.364	50%	0.504	S	S	.	.	H	α-helix	trans	-44.2	-30.9	-175.1	-90.8	-29.8	0	0	0	116.3	V163 L168 S169 C170 R173	V163-D166 PolarHBondContact O-N 2.87Å; D166-L168 VanDerWaalsContact C-N 3.27Å; D166-L168 PolarHBondContact O-N 3.09Å; D166-S169 WeakPolarHBondContact CA-OG 3.18Å; D166-S169 PolarHBondContact O-N 3.29Å; D166-S169 PolarHBondContact O-OG 3.37Å; D166-S169 VanDerWaalsContact O-OG 3.14Å; D166-C170 WeakPolarHBondContact O-CB 3.29Å; D166-C170 PolarHBondContact O-N 3.09Å; D166-R173 IonicContact OD1-CZ 2.73Å; D166-R173 VanDerWaalsContact OD1-CZ 3.31Å; D166-R173 IonicContact OD1-NH1 2.82Å; D166-R173 PolarHBondContact OD1-NH1 3Å; D166-R173 IonicContact OD1-NH2 3.24Å; D166-R173 PolarHBondContact OD1-NH2 3.45Å
167	W	61.1	Low	61.8	Low	235 Å²	235	98.2 Å²	98.2	89%	0.89	52%	0.516	S	S	*	.	H	α-helix	trans	-57.1	-37.6	173.8	179.6	-82.5	0	0	0	113.2	L165	L165-W167 PolarHBondContact O-N 3.05Å
168	L	60.5	Low	62.4	Low	118 Å²	118	97.8 Å²	97.8	62%	0.618	51%	0.514	S	S	*	.	H	α-helix	trans	-80.9	-27.4	-178.2	-78	159.3	0	0	0	113	L165 D166	L165-L168 HydrophobicContact CD2-CD1 3.81Å; L165-L168 HydrophobicContact CG-CD1 4.13Å; L165-L168 PolarHBondContact O-N 3.2Å; D166-L168 VanDerWaalsContact C-N 3.27Å; D166-L168 PolarHBondContact O-N 3.09Å
169	S	64.2	Low	63.2	Low	35 Å²	35	90.9 Å²	90.9	25%	0.245	48%	0.481	C	S	.	.	H	α-helix	trans	-86.6	-23.8	175.6	54.2	0	0	0	0	113.3	D166 P171 F172 R173	D166-S169 WeakPolarHBondContact CA-OG 3.18Å; D166-S169 PolarHBondContact O-N 3.29Å; D166-S169 PolarHBondContact O-OG 3.37Å; D166-S169 VanDerWaalsContact O-OG 3.14Å; S169-P171 VanDerWaalsContact C-CD 3.44Å; S169-P171 VanDerWaalsContact O-N 3.13Å; S169-F172 WeakPolarHBondContact O-CA 3.34Å; S169-F172 WeakPolarHBondContact O-CB 3.49Å; S169-F172 PolarHBondContact O-N 2.96Å; S169-R173 PolarHBondContact O-N 2.65Å; S169-R173 VanDerWaalsContact O-N 3.07Å
170	C	62.3	Low	64	Low	85 Å²	85	89 Å²	89	57%	0.574	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.6	-45.3	-177.3	-171.7	0	0	0	0	116.8	D166 F172	D166-C170 WeakPolarHBondContact O-CB 3.29Å; D166-C170 PolarHBondContact O-N 3.09Å; C170-F172 VanDerWaalsContact C-N 3.29Å; C170-F172 PolarHBondContact O-N 3.31Å
171	P	70.2	Confident	64.6	Low	73 Å²	73	88.6 Å²	88.6	47%	0.474	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-22.3	179.3	27	-34.2	0	0	0	114.2	S169 K286	S169-P171 VanDerWaalsContact C-CD 3.44Å; S169-P171 VanDerWaalsContact O-N 3.13Å; P171-K286 PolarHBondContact O-NZ 2.73Å
172	F	75.1	Confident	65.6	Low	102 Å²	102	87.9 Å²	87.9	45%	0.447	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-31.5	-179.6	-52.3	-75.5	0	0	0	112.5	S169 C170 Y285 K286 E287	S169-F172 WeakPolarHBondContact O-CA 3.34Å; S169-F172 WeakPolarHBondContact O-CB 3.49Å; S169-F172 PolarHBondContact O-N 2.96Å; C170-F172 VanDerWaalsContact C-N 3.29Å; C170-F172 PolarHBondContact O-N 3.31Å; F172-Y285 HydrophobicContact CD1-CD2 4.08Å; F172-Y285 WeakPolarHBondContact CD1-O 3.36Å; F172-K286 WeakPolarHBondContact O-CA 3.45Å; F172-E287 PolarHBondContact O-N 3.01Å
173	R	75.9	Confident	66.7	Low	48 Å²	48	87.6 Å²	87.6	18%	0.181	45%	0.448	C	S	.	.	S	Bend	trans	-60.9	154.6	179	-145.3	-167.2	-123.8	117.5	0.6	112.7	D162 D166 S169 M179 E287	D162-R173 VanDerWaalsContact CG-NH2 3.26Å; D162-R173 IonicContact OD2-CZ 3.45Å; D162-R173 IonicContact OD2-NE 3.04Å; D162-R173 IonicContact OD2-NH2 3.64Å; D162-R173 PolarHBondContact OD2-NH2 3.1Å; D166-R173 IonicContact OD1-CZ 2.73Å; D166-R173 VanDerWaalsContact OD1-CZ 3.31Å; D166-R173 IonicContact OD1-NH1 2.82Å; D166-R173 PolarHBondContact OD1-NH1 3Å; D166-R173 IonicContact OD1-NH2 3.24Å; D166-R173 PolarHBondContact OD1-NH2 3.45Å; S169-R173 PolarHBondContact O-N 2.65Å; S169-R173 VanDerWaalsContact O-N 3.07Å; R173-M179 HydrophobicContact CG-CE 4.36Å; R173-M179 HydrophobicContact CG-SD 4.38Å; R173-E287 WeakPolarHBondContact CA-OE2 3.32Å; R173-E287 WeakPolarHBondContact CG-OE2 3.48Å
174	L	78.3	Confident	67.9	Low	5 Å²	5	85.2 Å²	85.2	3%	0.026	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-95	155.9	167.2	-74.1	174.4	0	0	0	111.4	I178 H277 K286 E287 P289	L174-I178 HydrophobicContact CD1-CG2 4.37Å; L174-H277 HydrophobicContact CD2-CB 4.09Å; L174-K286 HydrophobicContact CD2-CB 4.49Å; L174-K286 HydrophobicContact CD2-CD 4.08Å; L174-E287 WeakPolarHBondContact CD1-O 3.33Å; L174-P289 HydrophobicContact CD1-CB 3.84Å; L174-P289 HydrophobicContact CD1-CG 4.02Å
175	P	77.3	Confident	69.7	Low	55 Å²	55	79.6 Å²	79.6	36%	0.357	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-58.4	142.1	171	-23.1	33.8	0	0	0	112	H177 I178 M179	P175-H177 VanDerWaalsContact C-N 3.31Å; P175-H177 PolarHBondContact O-N 3.4Å; P175-I178 HydrophobicContact CB-CG1 4.49Å; P175-I178 HydrophobicContact CG-CD1 4.3Å; P175-I178 WeakPolarHBondContact O-CB 3.5Å; P175-I178 PolarHBondContact O-N 3.06Å; P175-M179 PolarHBondContact O-N 3.21Å
176	D	72.8	Confident	71.2	Confident	111 Å²	111	74.3 Å²	74.3	59%	0.594	38%	0.376	S	S	*	.	H	α-helix	trans	-59.1	-39.4	-168.9	-48.5	-62.1	0	0	0	112.8	I178 M179 H180	D176-I178 PolarHBondContact O-N 2.89Å; D176-M179 PolarHBondContact O-N 3.39Å; D176-H180 PolarHBondContact O-N 2.89Å
177	H	74.7	Confident	72.7	Confident	136 Å²	136	71.7 Å²	71.7	63%	0.63	36%	0.362	S	S	*	.	H	α-helix	trans	-63.3	-8.2	175.9	70.3	-92.7	0	0	0	115.1	P175	P175-H177 VanDerWaalsContact C-N 3.31Å; P175-H177 PolarHBondContact O-N 3.4Å
178	I	77.7	Confident	73.9	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-103.5	-29.5	173.8	-55	-174.3	0	0	0	110.7	L174 P175 D176 H277 P289 L292	L174-I178 HydrophobicContact CD1-CG2 4.37Å; P175-I178 HydrophobicContact CB-CG1 4.49Å; P175-I178 HydrophobicContact CG-CD1 4.3Å; P175-I178 WeakPolarHBondContact O-CB 3.5Å; P175-I178 PolarHBondContact O-N 3.06Å; D176-I178 PolarHBondContact O-N 2.89Å; I178-H277 HydrophobicContact CD1-CB 4.46Å; I178-H277 VanDerWaalsContact CD1-CE1 3.48Å; I178-H277 WeakPolarHBondContact CD1-CE1 3.43Å; I178-H277 WeakPolarHBondContact CD1-ND1 3.35Å; I178-P289 HydrophobicContact CG2-CB 3.99Å; I178-P289 WeakPolarHBondContact O-CB 3.46Å; I178-L292 HydrophobicContact CG2-CD2 4.16Å
179	M	77.1	Confident	75.2	Confident	32 Å²	32	58.9 Å²	58.9	16%	0.158	31%	0.309	C	S	.	.	H	α-helix	trans	-84.9	-37.5	-179.6	-167.8	163.8	68	0	0	112.2	R173 P175 D176 N291	R173-M179 HydrophobicContact CG-CE 4.36Å; R173-M179 HydrophobicContact CG-SD 4.38Å; P175-M179 PolarHBondContact O-N 3.21Å; D176-M179 PolarHBondContact O-N 3.39Å; M179-N291 WeakPolarHBondContact O-CB 3.15Å; M179-N291 PolarHBondContact O-ND2 2.89Å
180	H	75.2	Confident	76.4	Confident	69 Å²	69	57.3 Å²	57.3	32%	0.319	30%	0.298	S	S	.	.			trans	-126.1	78.4	174.6	-60.2	-96.9	0	0	0	108.5	H159 D176 Q182	H159-H180 AromaticContact NE2-CE1 3.53Å; H159-H180 AromaticContact NE2-ND1 3.88Å; D176-H180 PolarHBondContact O-N 2.89Å; H180-Q182 PolarHBondContact O-N 3.24Å
181	P	64.3	Low	77.6	Confident	42 Å²	42	54.9 Å²	54.9	27%	0.273	28%	0.279	S	S	.	.	S	Bend	trans	-73.9	-5.4	-178.3	32	-37.1	0	0	0	113.7	N291 L292	P181-N291 HydrophobicContact CG-CB 4.49Å; P181-L292 HydrophobicContact CB-CD1 4.35Å; P181-L292 HydrophobicContact CG-CB 4.44Å; P181-L292 HydrophobicContact CG-CD1 4.38Å
182	Q	66.5	Low	78.5	Confident	113 Å²	113	54.3 Å²	54.3	53%	0.528	27%	0.269	S	S	.	.	S	Bend	trans	-138	150.7	171.6	-62.4	-178.2	-79.6	0	0	107.2	H180	H180-Q182 PolarHBondContact O-N 3.24Å
183	T	69.2	Low	79.1	Confident	90 Å²	90	54.9 Å²	54.9	55%	0.552	28%	0.277	S	S	*	.			trans	-67.8	155.2	166.6	38.2	0	0	0	0	110.8	Y185	T183-Y185 WeakPolarHBondContact O-CD2 3.49Å; T183-Y185 VanDerWaalsContact O-CE2 3.28Å; T183-Y185 WeakPolarHBondContact O-CE2 3.26Å; T183-Y185 WeakPolarHBondContact OG1-CE2 3.09Å; T183-Y185 VanDerWaalsContact OG1-CZ 3.32Å; T183-Y185 PolarHBondContact OG1-OH 3.04Å; T183-Y185 VanDerWaalsContact OG1-OH 3.14Å
184	D	73.1	Confident	79.6	Confident	61 Å²	61	54.2 Å²	54.2	33%	0.326	28%	0.275	S	S	.	.			trans	-67.9	136.8	170.5	-76.7	18.3	0	0	0	110	S155 H159	S155-D184 WeakPolarHBondContact CB-O 3.47Å; S155-D184 PolarHBondContact N-O 2.8Å; H159-D184 IonicContact CE1-OD1 3.47Å; H159-D184 IonicContact CE1-OD2 3.32Å; H159-D184 PolarHBondContact CE1-OD2 2.95Å; H159-D184 VanDerWaalsContact CE1-OD2 3.22Å; H159-D184 IonicContact ND1-OD2 2.78Å
185	Y	81	Confident	79.9	Confident	77 Å²	77	56.5 Å²	56.5	30%	0.302	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152.2	172.8	-64.5	-87.2	0	0	0	109.5	P151 K153 D154 T183 L199	P151-Y185 HydrophobicContact CB-CD1 3.74Å; P151-Y185 HydrophobicContact CB-CD2 4.04Å; P151-Y185 HydrophobicContact CB-CE1 4.45Å; P151-Y185 HydrophobicContact CB-CG 3.5Å; K153-Y185 CarbonylContact O-C 3.58Å; K153-Y185 WeakPolarHBondContact O-CA 3.49Å; D154-Y185 WeakPolarHBondContact OD1-CE1 3.19Å; T183-Y185 WeakPolarHBondContact O-CD2 3.49Å; T183-Y185 VanDerWaalsContact O-CE2 3.28Å; T183-Y185 WeakPolarHBondContact O-CE2 3.26Å; T183-Y185 WeakPolarHBondContact OG1-CE2 3.09Å; T183-Y185 VanDerWaalsContact OG1-CZ 3.32Å; T183-Y185 PolarHBondContact OG1-OH 3.04Å; T183-Y185 VanDerWaalsContact OG1-OH 3.14Å; Y185-L199 HydrophobicContact CD1-CD1 3.81Å; Y185-L199 HydrophobicContact CE1-CD1 3.76Å
186	F	83.9	Confident	80.2	Confident	1 Å²	1	60.7 Å²	60.7	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	134	159.6	-64.1	-68.7	0	0	0	109.1	F152 K153 D154 D156 M157 E873 L876	F152-F186 HydrophobicContact CD1-CB 4.2Å; F152-F186 WeakPolarHBondContact CD1-O 3.33Å; F152-F186 HydrophobicContact CE1-CB 3.47Å; F152-F186 VanDerWaalsContact CE1-CB 3.47Å; F152-F186 HydrophobicContact CZ-CB 3.66Å; F152-F186 PolarHBondContact N-O 3.41Å; F152-F186 VanDerWaalsContact N-O 3.08Å; K153-F186 HydrophobicContact CB-CD2 4.49Å; K153-F186 PolarHBondContact O-N 2.9Å; D154-F186 WeakPolarHBondContact O-CD2 3.37Å; D156-F186 HydrophobicContact CB-CE2 4.24Å; M157-F186 HydrophobicContact CE-CD1 4.17Å; M157-F186 HydrophobicContact CE-CE1 3.37Å; M157-F186 HydrophobicContact CE-CZ 3.84Å; M157-F186 HydrophobicContact CG-CZ 4.18Å; M157-F186 HydrophobicContact SD-CE1 4.05Å; M157-F186 HydrophobicContact SD-CZ 4.31Å; F186-E873 HydrophobicContact CD1-CB 4.18Å; F186-E873 HydrophobicContact CD1-CG 4.03Å; F186-E873 HydrophobicContact CE1-CB 4.3Å; F186-L876 HydrophobicContact CE1-CD1 3.94Å; F186-L876 HydrophobicContact CE2-CD1 3.8Å; F186-L876 HydrophobicContact CZ-CD1 3.44Å; F186-L876 VanDerWaalsContact CZ-CD1 3.44Å
187	T	86.6	Confident	80.9	Confident	12 Å²	12	56.4 Å²	56.4	7%	0.074	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	146.7	-176.5	72.3	0	0	0	0	113.1	V150 D414 I877	V150-T187 VanDerWaalsContact O-CA 3.24Å; V150-T187 WeakPolarHBondContact O-CA 3.44Å; V150-T187 WeakPolarHBondContact O-CB 3.34Å; T187-D414 WeakPolarHBondContact CB-OD1 3.33Å; T187-D414 WeakPolarHBondContact CG2-OD1 3.34Å; T187-D414 PolarHBondContact OG1-OD1 3.23Å; T187-I877 WeakPolarHBondContact O-CD1 3.1Å
188	Y	87	Confident	81.5	Confident	58 Å²	58	50.5 Å²	50.5	23%	0.227	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.1	177.7	-172.1	-100.3	0	0	0	109.4	K149 V150 F190 F197 F198 I877	K149-Y188 WeakPolarHBondContact CA-O 3.17Å; V150-Y188 WeakPolarHBondContact CG2-O 3.24Å; V150-Y188 PolarHBondContact N-O 2.65Å; V150-Y188 PolarHBondContact O-N 3.15Å; Y188-F190 PolarHBondContact O-N 2.99Å; Y188-F197 HydrophobicContact CD1-CE1 4.17Å; Y188-F197 HydrophobicContact CG-CE1 4.27Å; Y188-F198 HydrophobicContact CD1-CE1 4.18Å; Y188-F198 HydrophobicContact CD1-CZ 4.11Å; Y188-I877 HydrophobicContact CD2-CD1 4.41Å; Y188-I877 HydrophobicContact CD2-CG1 4.45Å; Y188-I877 HydrophobicContact CD2-CG2 3.44Å; Y188-I877 VanDerWaalsContact CD2-CG2 3.44Å; Y188-I877 HydrophobicContact CE2-CG2 3.58Å
189	P	87.9	Confident	82	Confident	27 Å²	27	53.1 Å²	53.1	18%	0.175	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	131.3	175.3	-26.5	36.3	0	0	0	111.7	N147 K149 D191 F198	N147-P189 HydrophobicContact CB-CB 4.24Å; K149-P189 HydrophobicContact CG-CG 4.21Å; P189-D191 PolarHBondContact O-N 3.3Å; P189-F198 WeakPolarHBondContact O-CZ 3.37Å
190	F	88.6	Confident	82.4	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.009	27%	0.271	C	S	.	.			trans	-63.9	121	180	-178	-99.3	0	0	0	111.3	W136 A140 A143 D144 I148 V150 Y188 K192 F198 I200 F206	W136-F190 HydrophobicContact CZ2-CZ 4.43Å; A140-F190 HydrophobicContact CB-CE1 3.72Å; A140-F190 HydrophobicContact CB-CZ 3.97Å; A140-F190 WeakPolarHBondContact O-CE1 3.33Å; A143-F190 HydrophobicContact CB-CB 4.34Å; A143-F190 HydrophobicContact CB-CD1 3.82Å; A143-F190 HydrophobicContact CB-CG 4.29Å; D144-F190 WeakPolarHBondContact CA-O 3.35Å; D144-F190 HydrophobicContact CB-CD1 4.35Å; I148-F190 WeakPolarHBondContact O-CB 3.16Å; I148-F190 PolarHBondContact O-N 3.17Å; V150-F190 HydrophobicContact CG1-CB 4.38Å; V150-F190 HydrophobicContact CG2-CB 3.81Å; V150-F190 HydrophobicContact CG2-CD2 4.02Å; V150-F190 HydrophobicContact CG2-CG 4.42Å; Y188-F190 PolarHBondContact O-N 2.99Å; F190-K192 HydrophobicContact CE1-CB 4.15Å; F190-F198 HydrophobicContact CD2-CD2 4.06Å; F190-F198 HydrophobicContact CD2-CE2 4.1Å; F190-F198 HydrophobicContact CD2-CG 4.44Å; F190-F198 HydrophobicContact CE2-CD2 4.25Å; F190-I200 HydrophobicContact CE2-CD1 4.45Å; F190-F206 HydrophobicContact CD2-CE1 4.47Å
191	D	88.3	Confident	82.7	Confident	33 Å²	33	57.8 Å²	57.8	18%	0.176	30%	0.296	C	S	.	.			trans	-111.3	115.7	172.7	175.1	-8.5	0	0	0	108.2	P189 N193 K194	P189-D191 PolarHBondContact O-N 3.3Å; D191-N193 PolarHBondContact O-N 3.49Å; D191-N193 VanDerWaalsContact O-N 3.13Å; D191-N193 WeakPolarHBondContact OD1-CA 3.45Å; D191-N193 VanDerWaalsContact OD1-CB 3.22Å; D191-N193 WeakPolarHBondContact OD1-CB 3.4Å; D191-N193 PolarHBondContact OD1-N 3.31Å; D191-N193 PolarHBondContact OD1-ND2 2.76Å; D191-K194 HydrophobicContact CB-CB 4.22Å; D191-K194 HydrophobicContact CB-CD 4.47Å; D191-K194 HydrophobicContact CB-CG 4.38Å; D191-K194 CarbonylContact O-C 3.54Å; D191-K194 PolarHBondContact O-N 3.43Å; D191-K194 WeakPolarHBondContact OD2-CD 3.17Å; D191-K194 WeakPolarHBondContact OD2-CE 3.16Å; D191-K194 VanDerWaalsContact OD2-CG 3.3Å; D191-K194 WeakPolarHBondContact OD2-CG 3.3Å; D191-K194 IonicContact OD2-NZ 2.65Å
192	K	87.8	Confident	83.6	Confident	61 Å²	61	59 Å²	59	27%	0.265	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-62.1	-20.9	-178.3	-172.2	-179.8	175.8	-171.9	0	112.5	E137 T141 D144 F190 K194 M195	E137-K192 VanDerWaalsContact CD-NZ 3.26Å; E137-K192 WeakPolarHBondContact OE1-CE 3.47Å; E137-K192 IonicContact OE1-NZ 3.98Å; E137-K192 PolarHBondContact OE1-NZ 3.25Å; E137-K192 WeakPolarHBondContact OE2-CE 3.39Å; E137-K192 IonicContact OE2-NZ 3.98Å; E137-K192 PolarHBondContact OE2-NZ 3.22Å; T141-K192 PolarHBondContact OG1-NZ 3.49Å; D144-K192 HydrophobicContact CB-CB 4.4Å; D144-K192 VanDerWaalsContact OD2-CB 3.24Å; D144-K192 WeakPolarHBondContact OD2-CB 3.32Å; D144-K192 PolarHBondContact OD2-N 2.91Å; F190-K192 HydrophobicContact CE1-CB 4.15Å; K192-K194 VanDerWaalsContact C-N 3.35Å; K192-M195 WeakPolarHBondContact O-CG 3.37Å
193	N	87.3	Confident	84.5	Confident	114 Å²	114	59 Å²	59	61%	0.61	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-88.5	-2.2	178.9	-45.5	-87.1	0	0	0	112.9	D191 R888	D191-N193 PolarHBondContact O-N 3.49Å; D191-N193 VanDerWaalsContact O-N 3.13Å; D191-N193 WeakPolarHBondContact OD1-CA 3.45Å; D191-N193 VanDerWaalsContact OD1-CB 3.22Å; D191-N193 WeakPolarHBondContact OD1-CB 3.4Å; D191-N193 PolarHBondContact OD1-N 3.31Å; D191-N193 PolarHBondContact OD1-ND2 2.76Å; N193-R888 PolarHBondContact O-NH1 3.23Å
194	K	87	Confident	85	Confident	34 Å²	34	60 Å²	60	15%	0.148	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-131.3	37.2	-178.8	-58.7	-177.4	-168.8	179.3	0	111.7	D191 K192 D196 F197 F198 L881 Y884 E885	D191-K194 HydrophobicContact CB-CB 4.22Å; D191-K194 HydrophobicContact CB-CD 4.47Å; D191-K194 HydrophobicContact CB-CG 4.38Å; D191-K194 CarbonylContact O-C 3.54Å; D191-K194 PolarHBondContact O-N 3.43Å; D191-K194 WeakPolarHBondContact OD2-CD 3.17Å; D191-K194 WeakPolarHBondContact OD2-CE 3.16Å; D191-K194 VanDerWaalsContact OD2-CG 3.3Å; D191-K194 WeakPolarHBondContact OD2-CG 3.3Å; D191-K194 IonicContact OD2-NZ 2.65Å; K192-K194 VanDerWaalsContact C-N 3.35Å; K194-D196 PolarHBondContact O-N 2.85Å; K194-D196 VanDerWaalsContact O-N 3.12Å; K194-F197 HydrophobicContact CB-CB 4.36Å; K194-F197 WeakPolarHBondContact O-CB 3.14Å; K194-F197 PolarHBondContact O-N 3.28Å; K194-F198 WeakPolarHBondContact O-CD2 3.41Å; K194-F198 WeakPolarHBondContact O-CE2 3.39Å; K194-L881 HydrophobicContact CD-CD1 4.31Å; K194-Y884 HydrophobicContact CB-CE1 4.03Å; K194-Y884 HydrophobicContact CD-CD1 4.49Å; K194-Y884 HydrophobicContact CD-CE1 4.03Å; K194-Y884 HydrophobicContact CG-CE1 3.88Å; K194-E885 IonicContact NZ-OE1 2.88Å; K194-E885 PolarHBondContact NZ-OE1 3.4Å
195	M	84.1	Confident	85.5	Confident	53 Å²	53	61.7 Å²	61.7	26%	0.261	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-50.2	-40.5	-176.8	-64.1	-167.5	67.1	0	0	113.7	W136 K192 F197 F198 I200	W136-M195 HydrophobicContact CZ2-CE 3.67Å; K192-M195 WeakPolarHBondContact O-CG 3.37Å; M195-F197 PolarHBondContact O-N 3.4Å; M195-F197 VanDerWaalsContact O-N 3.14Å; M195-F198 PolarHBondContact O-N 3.44Å; M195-F198 VanDerWaalsContact O-N 3.11Å; M195-I200 HydrophobicContact CB-CD1 4.48Å; M195-I200 HydrophobicContact CE-CD1 4.02Å
196	D	84.8	Confident	85.8	Confident	143 Å²	143	59.4 Å²	59.4	77%	0.765	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-69	-8.7	-177.1	-37.8	-59	0	0	0	113.9	K194 Y884	K194-D196 PolarHBondContact O-N 2.85Å; K194-D196 VanDerWaalsContact O-N 3.12Å; D196-Y884 HydrophobicContact CB-CE2 4.42Å
197	F	86.6	Confident	86.1	Confident	21 Å²	21	59.5 Å²	59.5	9%	0.092	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-78.4	-19.9	173.1	-176	-103.2	0	0	0	112.5	F152 Y188 K194 M195 Y884	F152-F197 HydrophobicContact CB-CD1 3.84Å; F152-F197 HydrophobicContact CB-CE1 3.63Å; F152-F197 HydrophobicContact CB-CZ 4.38Å; F152-F197 WeakPolarHBondContact CB-O 3.41Å; F152-F197 HydrophobicContact CD1-CE1 4.18Å; F152-F197 HydrophobicContact CD2-CD1 4.47Å; F152-F197 AromaticContact CD2-CE1 3.64Å; F152-F197 HydrophobicContact CD2-CE1 3.64Å; F152-F197 HydrophobicContact CD2-CE2 4.28Å; F152-F197 AromaticContact CD2-CZ 3.52Å; F152-F197 HydrophobicContact CD2-CZ 3.52Å; F152-F197 HydrophobicContact CE2-CE1 4.34Å; F152-F197 AromaticContact CE2-CZ 3.91Å; F152-F197 HydrophobicContact CE2-CZ 3.91Å; F152-F197 HydrophobicContact CG-CD1 4.27Å; F152-F197 AromaticContact CG-CE1 3.55Å; F152-F197 HydrophobicContact CG-CE1 3.55Å; F152-F197 AromaticContact CG-CZ 3.95Å; F152-F197 HydrophobicContact CG-CZ 3.95Å; Y188-F197 HydrophobicContact CD1-CE1 4.17Å; Y188-F197 HydrophobicContact CG-CE1 4.27Å; K194-F197 HydrophobicContact CB-CB 4.36Å; K194-F197 WeakPolarHBondContact O-CB 3.14Å; K194-F197 PolarHBondContact O-N 3.28Å; M195-F197 PolarHBondContact O-N 3.4Å; M195-F197 VanDerWaalsContact O-N 3.14Å; F197-Y884 HydrophobicContact CB-CD2 4.29Å; F197-Y884 HydrophobicContact CB-CE2 4.19Å; F197-Y884 HydrophobicContact CD2-CD1 4.38Å; F197-Y884 HydrophobicContact CD2-CD2 4.08Å; F197-Y884 AromaticContact CD2-CG 3.86Å; F197-Y884 HydrophobicContact CD2-CG 3.86Å
198	F	88.6	Confident	86.2	Confident	12 Å²	12	60.6 Å²	60.6	5%	0.053	31%	0.309	C	S	.	.	S	Bend	trans	-103.9	152.4	-171.2	-57.7	-77.7	0	0	0	112.9	V150 F152 Y188 P189 F190 K194 M195 I200 F206	V150-F198 HydrophobicContact CG2-CD1 3.41Å; V150-F198 VanDerWaalsContact CG2-CD1 3.41Å; V150-F198 HydrophobicContact CG2-CE1 3.53Å; V150-F198 HydrophobicContact CG2-CG 4.16Å; V150-F198 HydrophobicContact CG2-CZ 4.37Å; F152-F198 HydrophobicContact CB-CD1 3.94Å; F152-F198 HydrophobicContact CB-CE1 4.43Å; Y188-F198 HydrophobicContact CD1-CE1 4.18Å; Y188-F198 HydrophobicContact CD1-CZ 4.11Å; P189-F198 WeakPolarHBondContact O-CZ 3.37Å; F190-F198 HydrophobicContact CD2-CD2 4.06Å; F190-F198 HydrophobicContact CD2-CE2 4.1Å; F190-F198 HydrophobicContact CD2-CG 4.44Å; F190-F198 HydrophobicContact CE2-CD2 4.25Å; K194-F198 WeakPolarHBondContact O-CD2 3.41Å; K194-F198 WeakPolarHBondContact O-CE2 3.39Å; M195-F198 PolarHBondContact O-N 3.44Å; M195-F198 VanDerWaalsContact O-N 3.11Å; F198-I200 VanDerWaalsContact C-N 3.27Å; F198-I200 HydrophobicContact CB-CD1 4.33Å; F198-I200 HydrophobicContact CB-CG1 4.05Å; F198-I200 PolarHBondContact O-N 2.78Å; F198-F206 HydrophobicContact CB-CZ 4.43Å
199	L	86.3	Confident	86.3	Confident	61 Å²	61	58.2 Å²	58.2	32%	0.319	30%	0.3	S	S	.	.			trans	-79.5	70.1	-179.3	-65.6	178.6	0	0	0	112.1	P151 Y185 N201	P151-L199 PolarHBondContact O-N 3.45Å; P151-L199 VanDerWaalsContact O-N 3.17Å; Y185-L199 HydrophobicContact CD1-CD1 3.81Å; Y185-L199 HydrophobicContact CE1-CD1 3.76Å; L199-N201 PolarHBondContact O-N 2.8Å
200	I	86.4	Confident	86.3	Confident	41 Å²	41	57.3 Å²	57.3	21%	0.21	30%	0.295	C	S	.	.			trans	-92.1	80.1	-179.6	-49.3	175.2	0	0	0	110.1	W136 F190 M195 F198 K203 F206	W136-I200 HydrophobicContact CH2-CD1 4.29Å; W136-I200 HydrophobicContact CH2-CG2 4.23Å; W136-I200 HydrophobicContact CZ2-CD1 4.17Å; F190-I200 HydrophobicContact CE2-CD1 4.45Å; M195-I200 HydrophobicContact CB-CD1 4.48Å; M195-I200 HydrophobicContact CE-CD1 4.02Å; F198-I200 VanDerWaalsContact C-N 3.27Å; F198-I200 HydrophobicContact CB-CD1 4.33Å; F198-I200 HydrophobicContact CB-CG1 4.05Å; F198-I200 PolarHBondContact O-N 2.78Å; I200-K203 HydrophobicContact CG2-CG 3.93Å; I200-F206 HydrophobicContact CB-CD2 4.44Å; I200-F206 HydrophobicContact CG1-CD2 4.09Å; I200-F206 HydrophobicContact CG1-CE2 3.79Å; I200-F206 HydrophobicContact CG1-CZ 4Å
201	N	81.4	Confident	86.4	Confident	158 Å²	158	58 Å²	58	85%	0.845	30%	0.299	S	S	*	.	S	Bend	trans	-68.2	-43.4	174.8	-69	-21.9	0	0	0	112.3	L199	L199-N201 PolarHBondContact O-N 2.8Å
202	D	83.9	Confident	86.6	Confident	66 Å²	66	56.9 Å²	56.9	35%	0.353	29%	0.292	S	S	.	.			trans	-143.8	136.6	175.2	158.8	46.4	0	0	0	109.3	E204 T205 F206	D202-E204 PolarHBondContact OD1-N 3.16Å; D202-E204 PolarHBondContact OD2-N 2.68Å; D202-T205 VanDerWaalsContact OD2-CB 3.29Å; D202-T205 WeakPolarHBondContact OD2-CB 3.46Å; D202-T205 VanDerWaalsContact OD2-CG2 3.3Å; D202-T205 WeakPolarHBondContact OD2-CG2 3.01Å; D202-T205 PolarHBondContact OD2-N 2.91Å; D202-T205 PolarHBondContact OD2-OG1 3.24Å; D202-F206 WeakPolarHBondContact O-CB 3.34Å; D202-F206 PolarHBondContact O-N 3.02Å
203	K	84.7	Confident	86.8	Confident	113 Å²	113	54.2 Å²	54.2	49%	0.491	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-26.2	-177.2	-67.5	179.2	-176.6	177.9	0	113	W136 I200	W136-K203 HydrophobicContact CD2-CB 3.95Å; W136-K203 HydrophobicContact CD2-CD 4.21Å; W136-K203 HydrophobicContact CD2-CG 4.11Å; W136-K203 HydrophobicContact CE3-CB 3.64Å; W136-K203 HydrophobicContact CE3-CG 4.15Å; W136-K203 HydrophobicContact CG-CB 4.49Å; W136-K203 HydrophobicContact CG-CD 4.33Å; W136-K203 HydrophobicContact CH2-CG 4.45Å; W136-K203 HydrophobicContact CZ2-CG 4.44Å; W136-K203 HydrophobicContact CZ3-CB 3.99Å; W136-K203 HydrophobicContact CZ3-CG 4.3Å; W136-K203 VanDerWaalsContact CZ3-O 3.26Å; W136-K203 WeakPolarHBondContact CZ3-O 3.23Å; I200-K203 HydrophobicContact CG2-CG 3.93Å
204	E	80.8	Confident	86.9	Confident	111 Å²	111	50.6 Å²	50.6	52%	0.519	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-37.6	-177.8	-62.7	-162.8	178.2	0	0	112.5	D202	D202-E204 PolarHBondContact OD1-N 3.16Å; D202-E204 PolarHBondContact OD2-N 2.68Å
205	T	82.1	Confident	87.1	Confident	97 Å²	97	49 Å²	49	60%	0.595	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-22.7	179.8	55.8	0	0	0	0	115.1	D202 F207	D202-T205 VanDerWaalsContact OD2-CB 3.29Å; D202-T205 WeakPolarHBondContact OD2-CB 3.46Å; D202-T205 VanDerWaalsContact OD2-CG2 3.3Å; D202-T205 WeakPolarHBondContact OD2-CG2 3.01Å; D202-T205 PolarHBondContact OD2-N 2.91Å; D202-T205 PolarHBondContact OD2-OG1 3.24Å; T205-F207 VanDerWaalsContact C-N 3.34Å; T205-F207 PolarHBondContact O-N 2.82Å
206	F	88.4	Confident	87.6	Confident	29 Å²	29	46.5 Å²	46.5	13%	0.127	24%	0.24	C	C	.	.	S	Bend	trans	-52.3	-44	-176.1	177	-100.2	0	0	0	114.4	W136 V150 P151 F190 F198 I200 D202 P208	W136-F206 AromaticContact CH2-CD1 3.65Å; W136-F206 HydrophobicContact CH2-CD1 3.65Å; W136-F206 HydrophobicContact CH2-CE1 4.13Å; W136-F206 HydrophobicContact CH2-CG 4.31Å; W136-F206 HydrophobicContact CZ3-CB 4.24Å; W136-F206 AromaticContact CZ3-CD1 3.91Å; W136-F206 HydrophobicContact CZ3-CD1 3.91Å; W136-F206 HydrophobicContact CZ3-CG 4.44Å; V150-F206 HydrophobicContact CB-CE1 4.25Å; V150-F206 HydrophobicContact CB-CZ 3.73Å; V150-F206 HydrophobicContact CG1-CE1 3.88Å; V150-F206 HydrophobicContact CG1-CZ 3.89Å; V150-F206 HydrophobicContact CG2-CZ 4.11Å; P151-F206 HydrophobicContact CG-CE2 4.32Å; F190-F206 HydrophobicContact CD2-CE1 4.47Å; F198-F206 HydrophobicContact CB-CZ 4.43Å; I200-F206 HydrophobicContact CB-CD2 4.44Å; I200-F206 HydrophobicContact CG1-CD2 4.09Å; I200-F206 HydrophobicContact CG1-CE2 3.79Å; I200-F206 HydrophobicContact CG1-CZ 4Å; D202-F206 WeakPolarHBondContact O-CB 3.34Å; D202-F206 PolarHBondContact O-N 3.02Å; F206-P208 WeakPolarHBondContact O-CD 3.44Å
207	F	89.5	Confident	87.9	Confident	3 Å²	3	42.3 Å²	42.3	1%	0.013	22%	0.215	C	C	.	.	S	Bend	trans	-89.3	112.6	174.1	-71	-62.3	0	0	0	110.6	W136 L139 A143 V150 T205 T211 R212	W136-F207 HydrophobicContact CE3-CD2 4.14Å; W136-F207 HydrophobicContact CE3-CE2 4.09Å; W136-F207 HydrophobicContact CH2-CD2 4.2Å; W136-F207 AromaticContact CH2-CE2 3.66Å; W136-F207 HydrophobicContact CH2-CE2 3.66Å; W136-F207 HydrophobicContact CH2-CZ 4.41Å; W136-F207 HydrophobicContact CZ2-CE2 4.39Å; W136-F207 AromaticContact CZ3-CD2 3.59Å; W136-F207 HydrophobicContact CZ3-CD2 3.59Å; W136-F207 AromaticContact CZ3-CE2 3.48Å; W136-F207 HydrophobicContact CZ3-CE2 3.48Å; W136-F207 VanDerWaalsContact CZ3-CE2 3.48Å; L139-F207 HydrophobicContact CB-CD2 3.99Å; L139-F207 HydrophobicContact CB-CE2 4.01Å; L139-F207 HydrophobicContact CD1-CD2 4.33Å; A143-F207 HydrophobicContact CB-CE1 3.88Å; A143-F207 HydrophobicContact CB-CZ 3.7Å; V150-F207 HydrophobicContact CG1-CE1 4.03Å; T205-F207 VanDerWaalsContact C-N 3.34Å; T205-F207 PolarHBondContact O-N 2.82Å; F207-T211 HydrophobicContact CD1-CG2 4.07Å; F207-R212 HydrophobicContact CB-CG 3.78Å; F207-R212 VanDerWaalsContact O-CD 3.23Å; F207-R212 WeakPolarHBondContact O-CD 3.18Å; F207-R212 WeakPolarHBondContact O-CG 3.27Å
208	P	88.4	Confident	88	Confident	35 Å²	35	43.1 Å²	43.1	23%	0.227	22%	0.218	C	C	.	.			trans	-65.5	153.5	-178.7	26.5	-34.5	0	0	0	111.3	F206 S210 T211 R212	F206-P208 WeakPolarHBondContact O-CD 3.44Å; P208-S210 VanDerWaalsContact C-N 3.26Å; P208-S210 PolarHBondContact O-N 2.94Å; P208-S210 VanDerWaalsContact O-N 3.13Å; P208-T211 WeakPolarHBondContact O-CA 3.48Å; P208-T211 WeakPolarHBondContact O-CB 3.35Å; P208-T211 PolarHBondContact O-N 3.43Å; P208-R212 PolarHBondContact O-N 3.37Å
209	P	89	Confident	88.1	Confident	8 Å²	8	42.7 Å²	42.7	5%	0.052	22%	0.216	C	C	.	.	H	α-helix	trans	-54.7	-38.7	-173.8	-28.4	35.8	0	0	0	113.9	T211 R212 N213	P209-T211 VanDerWaalsContact C-N 3.33Å; P209-T211 PolarHBondContact O-N 3.37Å; P209-R212 PolarHBondContact O-N 3.03Å; P209-N213 VanDerWaalsContact O-CB 3.29Å; P209-N213 WeakPolarHBondContact O-CB 3.41Å; P209-N213 PolarHBondContact O-N 3.18Å; P209-N213 PolarHBondContact O-ND2 3.03Å; P209-N213 VanDerWaalsContact O-ND2 3.15Å; P209-N213 PolarHBondContact O-OD1 3.29Å; P209-N213 VanDerWaalsContact O-OD1 3.12Å
210	S	89.4	Confident	88.4	Confident	9 Å²	9	39.8 Å²	39.8	6%	0.063	20%	0.201	C	C	.	.	H	α-helix	trans	-57.3	-42.5	174.5	42	0	0	0	0	113	P208 R214 K295 A726	P208-S210 VanDerWaalsContact C-N 3.26Å; P208-S210 PolarHBondContact O-N 2.94Å; P208-S210 VanDerWaalsContact O-N 3.13Å; S210-R214 WeakPolarHBondContact O-CB 3.48Å; S210-R214 PolarHBondContact O-N 2.74Å; S210-R214 VanDerWaalsContact O-N 3.14Å; S210-K295 WeakPolarHBondContact CB-O 3.29Å; S210-K295 PolarHBondContact OG-O 3.43Å; S210-A726 WeakPolarHBondContact O-CB 3.49Å
211	T	89.7	Confident	88.4	Confident	16 Å²	16	38.8 Å²	38.8	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-70.1	-43.9	175.5	-69.7	0	0	0	0	112	I148 F207 P208 P209 N213 R214 I215	I148-T211 HydrophobicContact CD1-CG2 4.01Å; I148-T211 HydrophobicContact CG2-CG2 4.12Å; F207-T211 HydrophobicContact CD1-CG2 4.07Å; P208-T211 WeakPolarHBondContact O-CA 3.48Å; P208-T211 WeakPolarHBondContact O-CB 3.35Å; P208-T211 PolarHBondContact O-N 3.43Å; P209-T211 VanDerWaalsContact C-N 3.33Å; P209-T211 PolarHBondContact O-N 3.37Å; T211-N213 PolarHBondContact O-N 3.21Å; T211-R214 WeakPolarHBondContact O-CB 3.43Å; T211-R214 PolarHBondContact O-N 2.91Å; T211-R214 PolarHBondContact OG1-NH2 3.37Å; T211-I215 HydrophobicContact CG2-CD1 4.08Å; T211-I215 WeakPolarHBondContact O-CG1 3.44Å; T211-I215 PolarHBondContact O-N 3Å
212	R	92.6	Very high	88.6	Confident	9 Å²	9	35 Å²	35	3%	0.034	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-48.5	175.8	-64.5	176.8	58.9	101	18.2	111.3	D83 H133 A134 L139 F207 P208 P209 R214 I215 V216	D83-R212 WeakPolarHBondContact OD1-CB 3.41Å; D83-R212 IonicContact OD1-CZ 3.68Å; D83-R212 IonicContact OD1-NE 2.78Å; D83-R212 PolarHBondContact OD1-NE 3.49Å; D83-R212 IonicContact OD1-NH2 2.67Å; D83-R212 PolarHBondContact OD1-NH2 3.21Å; D83-R212 IonicContact OD2-CZ 2.65Å; D83-R212 IonicContact OD2-NE 2.8Å; D83-R212 IonicContact OD2-NH2 3.22Å; D83-R212 PolarHBondContact OD2-NH2 3.14Å; H133-R212 PolarHBondContact CE1-NH2 3.25Å; H133-R212 VanDerWaalsContact CE1-NH2 3.28Å; H133-R212 PolarHBondContact ND1-NH2 3.45Å; A134-R212 PolarHBondContact O-NH2 3.14Å; L139-R212 HydrophobicContact CD1-CG 4.25Å; L139-R212 VanDerWaalsContact CD1-CZ 3.49Å; L139-R212 VanDerWaalsContact CD1-NH1 3.28Å; L139-R212 HydrophobicContact CD2-CB 4.39Å; L139-R212 HydrophobicContact CD2-CG 4.22Å; F207-R212 HydrophobicContact CB-CG 3.78Å; F207-R212 VanDerWaalsContact O-CD 3.23Å; F207-R212 WeakPolarHBondContact O-CD 3.18Å; F207-R212 WeakPolarHBondContact O-CG 3.27Å; P208-R212 PolarHBondContact O-N 3.37Å; P209-R212 PolarHBondContact O-N 3.03Å; R212-R214 VanDerWaalsContact C-N 3.27Å; R212-R214 PolarHBondContact O-N 2.87Å; R212-I215 PolarHBondContact O-N 3.02Å; R212-V216 PolarHBondContact O-N 2.96Å
213	N	91.8	Very high	88.9	Confident	6 Å²	6	32 Å²	32	3%	0.032	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-35	177.3	-61.3	-10.7	0	0	0	112.6	D83 P209 T211 F217 P252	D83-N213 PolarHBondContact O-OD1 2.71Å; P209-N213 VanDerWaalsContact O-CB 3.29Å; P209-N213 WeakPolarHBondContact O-CB 3.41Å; P209-N213 PolarHBondContact O-N 3.18Å; P209-N213 PolarHBondContact O-ND2 3.03Å; P209-N213 VanDerWaalsContact O-ND2 3.15Å; P209-N213 PolarHBondContact O-OD1 3.29Å; P209-N213 VanDerWaalsContact O-OD1 3.12Å; T211-N213 PolarHBondContact O-N 3.21Å; N213-F217 VanDerWaalsContact O-CB 3.31Å; N213-F217 WeakPolarHBondContact O-CB 3.26Å; N213-F217 PolarHBondContact O-N 2.67Å; N213-P252 HydrophobicContact CB-CB 4.03Å; N213-P252 WeakPolarHBondContact ND2-CB 3.21Å
214	R	89.8	Confident	89	Confident	38 Å²	38	28.2 Å²	28.2	14%	0.143	14%	0.143	C	C	.	.	H	α-helix	trans	-69.2	-41.7	176.5	-175.1	175.8	68.2	-144.9	-3.5	111.9	S210 T211 R212 Y218 E299	S210-R214 WeakPolarHBondContact O-CB 3.48Å; S210-R214 PolarHBondContact O-N 2.74Å; S210-R214 VanDerWaalsContact O-N 3.14Å; T211-R214 WeakPolarHBondContact O-CB 3.43Å; T211-R214 PolarHBondContact O-N 2.91Å; T211-R214 PolarHBondContact OG1-NH2 3.37Å; R212-R214 VanDerWaalsContact C-N 3.27Å; R212-R214 PolarHBondContact O-N 2.87Å; R214-Y218 PolarHBondContact O-N 2.72Å; R214-Y218 VanDerWaalsContact O-N 3.09Å; R214-E299 IonicContact NH1-OE1 3.48Å; R214-E299 IonicContact NH1-OE2 3.05Å
215	I	91.6	Very high	89.1	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.6	-51.5	175.2	-66.5	161.6	0	0	0	110.2	L139 Y142 L146 I148 T211 R212 F217 Y218 I219	L139-I215 HydrophobicContact CD2-CB 4.22Å; L139-I215 HydrophobicContact CD2-CD1 3.67Å; L139-I215 HydrophobicContact CD2-CG2 4.12Å; Y142-I215 HydrophobicContact CD2-CG2 4.37Å; Y142-I215 HydrophobicContact CG-CG2 4.29Å; L146-I215 HydrophobicContact CD1-CG1 4.36Å; I148-I215 HydrophobicContact CD1-CD1 3.79Å; I148-I215 HydrophobicContact CD1-CG1 3.78Å; T211-I215 HydrophobicContact CG2-CD1 4.08Å; T211-I215 WeakPolarHBondContact O-CG1 3.44Å; T211-I215 PolarHBondContact O-N 3Å; R212-I215 PolarHBondContact O-N 3.02Å; I215-F217 VanDerWaalsContact C-N 3.3Å; I215-F217 PolarHBondContact O-N 2.94Å; I215-Y218 WeakPolarHBondContact O-CB 3.19Å; I215-Y218 PolarHBondContact O-N 3.27Å; I215-I219 HydrophobicContact CG2-CD1 4.15Å; I215-I219 WeakPolarHBondContact O-CG1 3.45Å; I215-I219 PolarHBondContact O-N 2.66Å; I215-I219 VanDerWaalsContact O-N 3.12Å
216	V	93.9	Very high	89.1	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62	-38.1	-179.1	178.2	0	0	0	0	111.9	D83 F84 L112 I132 A134 R212 Y218 I219 L220	D83-V216 HydrophobicContact CB-CG2 3.95Å; F84-V216 HydrophobicContact CB-CG1 3.82Å; F84-V216 HydrophobicContact CD2-CG1 4.35Å; F84-V216 HydrophobicContact CG-CG1 4.24Å; L112-V216 HydrophobicContact CD2-CG2 4.41Å; I132-V216 HydrophobicContact CG2-CG1 3.92Å; A134-V216 HydrophobicContact CB-CG2 3.68Å; R212-V216 PolarHBondContact O-N 2.96Å; V216-Y218 PolarHBondContact O-N 3.2Å; V216-I219 PolarHBondContact O-N 3.4Å; V216-L220 HydrophobicContact CG1-CD1 3.9Å; V216-L220 HydrophobicContact CG1-CG 4.35Å; V216-L220 WeakPolarHBondContact O-CB 3.4Å; V216-L220 VanDerWaalsContact O-CG 3.3Å; V216-L220 WeakPolarHBondContact O-CG 3.18Å; V216-L220 PolarHBondContact O-N 3.18Å
217	F	91.4	Very high	88.3	Confident	55 Å²	55	26.8 Å²	26.8	24%	0.241	12%	0.122	C	C	.	.	H	α-helix	trans	-66.2	-33.9	174.2	-174.6	-105.5	0	0	0	113.5	F84 N213 I215 A221 V725	F84-F217 HydrophobicContact CE1-CD2 4.48Å; F84-F217 HydrophobicContact CE2-CB 4.11Å; F84-F217 HydrophobicContact CE2-CD2 4.42Å; F84-F217 HydrophobicContact CZ-CB 4.32Å; F84-F217 AromaticContact CZ-CD2 3.79Å; F84-F217 HydrophobicContact CZ-CD2 3.79Å; F84-F217 HydrophobicContact CZ-CG 4.48Å; N213-F217 VanDerWaalsContact O-CB 3.31Å; N213-F217 WeakPolarHBondContact O-CB 3.26Å; N213-F217 PolarHBondContact O-N 2.67Å; I215-F217 VanDerWaalsContact C-N 3.3Å; I215-F217 PolarHBondContact O-N 2.94Å; F217-A221 VanDerWaalsContact O-CB 3.25Å; F217-A221 WeakPolarHBondContact O-CB 3.49Å; F217-A221 PolarHBondContact O-N 2.7Å; F217-V725 HydrophobicContact CB-CG1 3.76Å; F217-V725 HydrophobicContact CB-CG2 4.41Å; F217-V725 HydrophobicContact CD1-CG1 3.97Å; F217-V725 HydrophobicContact CD2-CG2 4Å; F217-V725 HydrophobicContact CE2-CG2 4.42Å; F217-V725 HydrophobicContact CG-CB 4.48Å; F217-V725 HydrophobicContact CG-CG1 3.87Å; F217-V725 HydrophobicContact CG-CG2 4.08Å
218	Y	88.5	Confident	86.9	Confident	39 Å²	39	33.8 Å²	33.8	15%	0.153	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-44	174.3	177.4	-100.8	0	0	0	111.7	Y142 L146 R214 I215 V216 A221 R222	Y142-Y218 HydrophobicContact CD1-CD1 4.3Å; Y142-Y218 HydrophobicContact CD1-CE1 4.23Å; Y142-Y218 HydrophobicContact CE1-CE1 4.47Å; L146-Y218 HydrophobicContact CD1-CD1 4.07Å; L146-Y218 HydrophobicContact CD1-CE1 4.48Å; L146-Y218 HydrophobicContact CD1-CG 4.17Å; L146-Y218 HydrophobicContact CD2-CD1 4.21Å; L146-Y218 HydrophobicContact CD2-CD2 4.05Å; L146-Y218 HydrophobicContact CD2-CE1 3.94Å; L146-Y218 HydrophobicContact CD2-CE2 3.78Å; L146-Y218 HydrophobicContact CD2-CG 4.25Å; L146-Y218 HydrophobicContact CG-CD1 4.45Å; L146-Y218 HydrophobicContact CG-CE1 4.37Å; R214-Y218 PolarHBondContact O-N 2.72Å; R214-Y218 VanDerWaalsContact O-N 3.09Å; I215-Y218 WeakPolarHBondContact O-CB 3.19Å; I215-Y218 PolarHBondContact O-N 3.27Å; V216-Y218 PolarHBondContact O-N 3.2Å; Y218-A221 PolarHBondContact O-N 3.01Å; Y218-R222 PolarHBondContact O-N 3Å; Y218-R222 PolarHBondContact OH-NE 2.76Å; Y218-R222 PolarHBondContact OH-NH2 3.37Å
219	I	91.4	Very high	85.5	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.015	18%	0.181	C	C	.	.	H	α-helix	trans	-61.4	-55.3	174.7	-56.7	165.6	0	0	0	109.9	L107 L112 V138 Y142 I215 V216 A221 R222 V223	L107-I219 HydrophobicContact CD2-CG2 4.45Å; L112-I219 HydrophobicContact CD1-CB 4.28Å; L112-I219 HydrophobicContact CD1-CD1 4.15Å; L112-I219 HydrophobicContact CD1-CG2 3.76Å; L112-I219 HydrophobicContact CD2-CD1 4.02Å; L112-I219 HydrophobicContact CG-CD1 4.3Å; V138-I219 HydrophobicContact CG1-CD1 3.93Å; Y142-I219 HydrophobicContact CD1-CG1 4.47Å; Y142-I219 HydrophobicContact CD2-CD1 3.55Å; Y142-I219 HydrophobicContact CD2-CG1 3.88Å; Y142-I219 HydrophobicContact CE1-CG1 4.2Å; Y142-I219 HydrophobicContact CE2-CD1 3.38Å; Y142-I219 HydrophobicContact CE2-CG1 3.55Å; Y142-I219 HydrophobicContact CG-CD1 4.36Å; Y142-I219 HydrophobicContact CG-CG1 4.32Å; I215-I219 HydrophobicContact CG2-CD1 4.15Å; I215-I219 WeakPolarHBondContact O-CG1 3.45Å; I215-I219 PolarHBondContact O-N 2.66Å; I215-I219 VanDerWaalsContact O-N 3.12Å; V216-I219 PolarHBondContact O-N 3.4Å; I219-A221 PolarHBondContact O-N 2.99Å; I219-R222 PolarHBondContact O-N 2.71Å; I219-V223 HydrophobicContact CG2-CG2 3.69Å; I219-V223 WeakPolarHBondContact O-CG2 3.43Å; I219-V223 PolarHBondContact O-N 2.85Å
220	L	91.5	Very high	84.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-54.7	-29.8	177.9	-74.2	168.2	0	0	0	113.3	F84 L86 F103 L107 I132 V216 I238	F84-L220 HydrophobicContact CB-CD1 4.45Å; F84-L220 HydrophobicContact CD1-CD1 3.64Å; F84-L220 HydrophobicContact CE1-CD1 3.97Å; F84-L220 HydrophobicContact CG-CD1 4Å; L86-L220 HydrophobicContact CD1-CD2 4.23Å; L86-L220 HydrophobicContact CD2-CD1 4.36Å; L86-L220 HydrophobicContact CD2-CD2 4.48Å; F103-L220 HydrophobicContact CE1-CD2 3.95Å; F103-L220 HydrophobicContact CZ-CD2 3.94Å; L107-L220 HydrophobicContact CD1-CD2 3.93Å; L107-L220 HydrophobicContact CD2-CD2 3.78Å; I132-L220 HydrophobicContact CD1-CD1 4.31Å; I132-L220 HydrophobicContact CD1-CD2 4Å; V216-L220 HydrophobicContact CG1-CD1 3.9Å; V216-L220 HydrophobicContact CG1-CG 4.35Å; V216-L220 WeakPolarHBondContact O-CB 3.4Å; V216-L220 VanDerWaalsContact O-CG 3.3Å; V216-L220 WeakPolarHBondContact O-CG 3.18Å; V216-L220 PolarHBondContact O-N 3.18Å; L220-I238 HydrophobicContact CB-CB 4.26Å; L220-I238 HydrophobicContact CB-CG2 3.98Å; L220-I238 WeakPolarHBondContact O-CB 3.21Å; L220-I238 WeakPolarHBondContact O-CG2 3.29Å; L220-I238 PolarHBondContact O-N 2.74Å
221	A	87.1	Confident	82.8	Confident	19 Å²	19	52.6 Å²	52.6	16%	0.157	25%	0.248	C	C	.	.	H	α-helix	trans	-77.6	-22.4	178.1	0	0	0	0	0	114.3	F217 Y218 I219 G237	F217-A221 VanDerWaalsContact O-CB 3.25Å; F217-A221 WeakPolarHBondContact O-CB 3.49Å; F217-A221 PolarHBondContact O-N 2.7Å; Y218-A221 PolarHBondContact O-N 3.01Å; I219-A221 PolarHBondContact O-N 2.99Å; A221-G237 VanDerWaalsContact O-CA 3.3Å; A221-G237 WeakPolarHBondContact O-CA 3.38Å
222	R	85.6	Confident	81.6	Confident	78 Å²	78	54.5 Å²	54.5	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-105.3	-30.2	-177.9	-69.3	-169	179.8	-89	12.4	114.4	Y218 I219 L425 E432	Y218-R222 PolarHBondContact O-N 3Å; Y218-R222 PolarHBondContact OH-NE 2.76Å; Y218-R222 PolarHBondContact OH-NH2 3.37Å; I219-R222 PolarHBondContact O-N 2.71Å; R222-L425 PolarHBondContact NH2-O 2.73Å; R222-E432 IonicContact CZ-OE1 3.57Å; R222-E432 IonicContact NH1-OE1 3.31Å; R222-E432 PolarHBondContact NH1-OE1 3.25Å; R222-E432 IonicContact NH1-OE2 2.94Å
223	V	88.7	Confident	80.2	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.03	28%	0.282	C	S	.	.			trans	-56	134.9	-173	165.8	0	0	0	0	113.1	F103 N106 L107 E110 I219 G237	F103-V223 HydrophobicContact CD2-CB 4.49Å; F103-V223 HydrophobicContact CD2-CG1 3.79Å; F103-V223 HydrophobicContact CE2-CB 3.86Å; F103-V223 HydrophobicContact CE2-CG1 3.65Å; N106-V223 HydrophobicContact CB-CG1 3.82Å; L107-V223 HydrophobicContact CD2-CB 4.33Å; L107-V223 HydrophobicContact CD2-CG1 4.22Å; L107-V223 HydrophobicContact CD2-CG2 4.1Å; L107-V223 HydrophobicContact CG-CG1 4.44Å; E110-V223 HydrophobicContact CG-CG2 3.91Å; I219-V223 HydrophobicContact CG2-CG2 3.69Å; I219-V223 WeakPolarHBondContact O-CG2 3.43Å; I219-V223 PolarHBondContact O-N 2.85Å; V223-G237 PolarHBondContact O-N 2.77Å
224	P	86.9	Confident	78.8	Confident	33 Å²	33	65.4 Å²	65.4	21%	0.214	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-77.2	153.3	176.8	31.5	-35.3	0	0	0	113.3	N106 Y226 K235 T236	N106-P224 PolarHBondContact ND2-O 3.39Å; P224-Y226 HydrophobicContact CB-CD1 3.57Å; P224-Y226 HydrophobicContact CB-CE1 3.38Å; P224-Y226 HydrophobicContact CB-CG 4.3Å; P224-Y226 HydrophobicContact CG-CE1 4.46Å; P224-K235 WeakPolarHBondContact CA-O 3.45Å; P224-T236 HydrophobicContact CB-CG2 4.23Å
225	Y	84.4	Confident	78	Confident	10 Å²	10	67 Å²	67	4%	0.039	31%	0.31	C	S	.	.			trans	-118.9	42.1	169.8	62.1	-93.6	0	0	0	111.5	R99 K235 R240 L241	R99-Y225 HydrophobicContact CB-CD2 4.28Å; R99-Y225 HydrophobicContact CG-CD2 4.03Å; R99-Y225 HydrophobicContact CG-CE2 4.45Å; Y225-K235 WeakPolarHBondContact CD1-O 3.23Å; Y225-K235 HydrophobicContact CD2-CB 3.99Å; Y225-K235 HydrophobicContact CD2-CG 4.31Å; Y225-K235 HydrophobicContact CE1-CB 4.33Å; Y225-K235 HydrophobicContact CE2-CB 3.75Å; Y225-K235 HydrophobicContact CE2-CD 4.36Å; Y225-K235 HydrophobicContact CE2-CG 3.78Å; Y225-K235 HydrophobicContact CG-CB 4.35Å; Y225-K235 PolarHBondContact N-O 3.26Å; Y225-R240 HydrophobicContact CE1-CB 4.41Å; Y225-R240 VanDerWaalsContact OH-CD 3.29Å; Y225-R240 WeakPolarHBondContact OH-CD 3.4Å; Y225-R240 WeakPolarHBondContact OH-CG 3.47Å; Y225-L241 HydrophobicContact CD1-CD1 3.91Å; Y225-L241 HydrophobicContact CD1-CD2 3.77Å; Y225-L241 HydrophobicContact CD1-CG 3.79Å; Y225-L241 HydrophobicContact CD2-CD2 3.84Å; Y225-L241 HydrophobicContact CE1-CD1 4.48Å; Y225-L241 HydrophobicContact CE1-CD2 3.82Å; Y225-L241 HydrophobicContact CE1-CG 3.87Å; Y225-L241 HydrophobicContact CE2-CD2 3.92Å; Y225-L241 HydrophobicContact CG-CD1 4.22Å; Y225-L241 HydrophobicContact CG-CD2 3.79Å; Y225-L241 HydrophobicContact CG-CG 4.25Å
226	Y	80.5	Confident	77.4	Confident	51 Å²	51	68.5 Å²	68.5	20%	0.2	32%	0.32	C	S	.	.	S	Bend	trans	-129.6	146.5	176.8	66.2	-103.6	0	0	0	111.3	P224 Y230 K231 D232 K235 T236	P224-Y226 HydrophobicContact CB-CD1 3.57Å; P224-Y226 HydrophobicContact CB-CE1 3.38Å; P224-Y226 HydrophobicContact CB-CG 4.3Å; P224-Y226 HydrophobicContact CG-CE1 4.46Å; Y226-Y230 WeakPolarHBondContact CD2-O 3.4Å; Y226-Y230 WeakPolarHBondContact CE2-O 3.26Å; Y226-K231 HydrophobicContact CE2-CG 4.27Å; Y226-D232 WeakPolarHBondContact CD1-O 3.49Å; Y226-K235 HydrophobicContact CD1-CB 3.92Å; Y226-K235 HydrophobicContact CG-CB 4.49Å; Y226-T236 HydrophobicContact CE1-CG2 4.36Å
227	R	72.4	Confident	76.9	Confident	145 Å²	145	68.7 Å²	68.7	55%	0.547	32%	0.322	S	S	.	.			trans	-65.4	140.8	176.2	-72.2	-177.5	-174.6	169.2	12.4	112.3	E98 E102 Y230	E98-R227 IonicContact OE1-CZ 3.39Å; E98-R227 IonicContact OE1-NH2 2.73Å; E98-R227 PolarHBondContact OE1-NH2 2.92Å; E102-R227 VanDerWaalsContact OE1-CA 3.25Å; E102-R227 WeakPolarHBondContact OE1-CA 3.25Å; E102-R227 VanDerWaalsContact OE1-CG 3.28Å; E102-R227 WeakPolarHBondContact OE1-CG 3.42Å; E102-R227 PolarHBondContact OE1-N 3.22Å; E102-R227 WeakPolarHBondContact OE2-CG 3.29Å; E102-R227 IonicContact OE2-NE 2.68Å; E102-R227 PolarHBondContact OE2-NE 2.78Å; R227-Y230 PolarHBondContact O-N 3.29Å
228	E	60.3	Low	76.8	Confident	151 Å²	151	66.1 Å²	66.1	71%	0.706	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	141.9	175	-71.9	-175.9	111.6	0	0	112.2	K109	K109-E228 IonicContact NZ-OE1 3.28Å; K109-E228 PolarHBondContact NZ-OE1 3.49Å; K109-E228 IonicContact NZ-OE2 3.41Å; K109-E228 PolarHBondContact NZ-OE2 3.44Å
229	G	59.8	Low	76.6	Confident	75 Å²	75	66.9 Å²	66.9	77%	0.773	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	-47.5	-168.4	0	0	0	0	0	113.6	K231	G229-K231 PolarHBondContact O-N 2.8Å
230	Y	61.4	Low	76.3	Confident	194 Å²	194	71.2 Å²	71.2	76%	0.761	33%	0.331	S	S	*	.			trans	-90.9	78.6	-177.7	-79.7	-86.4	0	0	0	112.4	Y226 R227 D232	Y226-Y230 WeakPolarHBondContact CD2-O 3.4Å; Y226-Y230 WeakPolarHBondContact CE2-O 3.26Å; R227-Y230 PolarHBondContact O-N 3.29Å; Y230-D232 PolarHBondContact O-N 3.42Å
231	K	59.4	Low	76.1	Confident	177 Å²	177	71.2 Å²	71.2	77%	0.77	33%	0.331	S	S	*	.			trans	-67.6	65.5	177.6	-72.6	-168.8	174.8	-178.6	0	114.1	Y226 G229 R233	Y226-K231 HydrophobicContact CE2-CG 4.27Å; G229-K231 PolarHBondContact O-N 2.8Å; K231-R233 PolarHBondContact O-N 2.98Å
232	D	65.4	Low	76.2	Confident	56 Å²	56	72.9 Å²	72.9	30%	0.299	34%	0.337	S	S	.	.			trans	-78.3	97.2	170	-173.9	-4.8	0	0	0	109.9	Y226 Y230 E234 K235	Y226-D232 WeakPolarHBondContact CD1-O 3.49Å; Y230-D232 PolarHBondContact O-N 3.42Å; D232-E234 PolarHBondContact O-N 2.95Å; D232-E234 WeakPolarHBondContact OD1-CB 3.49Å; D232-E234 PolarHBondContact OD1-N 3.12Å; D232-K235 HydrophobicContact CB-CD 4.14Å; D232-K235 HydrophobicContact CB-CG 4.28Å; D232-K235 PolarHBondContact O-N 3.31Å; D232-K235 WeakPolarHBondContact OD2-CD 3.46Å; D232-K235 WeakPolarHBondContact OD2-CE 3.34Å; D232-K235 IonicContact OD2-NZ 3.65Å; D232-K235 PolarHBondContact OD2-NZ 3.19Å
233	R	62.1	Low	76.3	Confident	144 Å²	144	76.1 Å²	76.1	54%	0.543	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-27	-178.4	-63.8	-171.2	-176	-174	4.7	112.9	K231 K235 T236 I433	K231-R233 PolarHBondContact O-N 2.98Å; R233-K235 VanDerWaalsContact C-N 3.28Å; R233-K235 PolarHBondContact O-N 3.1Å; R233-T236 PolarHBondContact O-OG1 3.15Å; R233-I433 WeakPolarHBondContact O-CG1 3.2Å
234	E	63.5	Low	76.2	Confident	101 Å²	101	79 Å²	79	47%	0.472	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.7	-179.5	-79	-152.4	-133.8	0	0	114.3	D232 T236 R240 I433	D232-E234 PolarHBondContact O-N 2.95Å; D232-E234 WeakPolarHBondContact OD1-CB 3.49Å; D232-E234 PolarHBondContact OD1-N 3.12Å; E234-T236 PolarHBondContact O-N 3.43Å; E234-R240 VanDerWaalsContact CB-NH1 3.28Å; E234-R240 WeakPolarHBondContact O-CD 3.43Å; E234-R240 PolarHBondContact O-NH1 2.93Å; E234-R240 IonicContact OE2-CZ 2.9Å; E234-R240 IonicContact OE2-NH1 3.82Å; E234-R240 PolarHBondContact OE2-NH1 2.91Å; E234-R240 IonicContact OE2-NH2 3.63Å; E234-R240 PolarHBondContact OE2-NH2 3.13Å; E234-I433 HydrophobicContact CG-CG2 4.3Å
235	K	71.5	Confident	76.2	Confident	70 Å²	70	79 Å²	79	30%	0.304	38%	0.381	S	S	.	.	S	Bend	trans	-96.7	57.3	-174	-68	-178.2	-178.7	116.5	0	113.3	P224 Y225 Y226 D232 R233	P224-K235 WeakPolarHBondContact CA-O 3.45Å; Y225-K235 WeakPolarHBondContact CD1-O 3.23Å; Y225-K235 HydrophobicContact CD2-CB 3.99Å; Y225-K235 HydrophobicContact CD2-CG 4.31Å; Y225-K235 HydrophobicContact CE1-CB 4.33Å; Y225-K235 HydrophobicContact CE2-CB 3.75Å; Y225-K235 HydrophobicContact CE2-CD 4.36Å; Y225-K235 HydrophobicContact CE2-CG 3.78Å; Y225-K235 HydrophobicContact CG-CB 4.35Å; Y225-K235 PolarHBondContact N-O 3.26Å; Y226-K235 HydrophobicContact CD1-CB 3.92Å; Y226-K235 HydrophobicContact CG-CB 4.49Å; D232-K235 HydrophobicContact CB-CD 4.14Å; D232-K235 HydrophobicContact CB-CG 4.28Å; D232-K235 PolarHBondContact O-N 3.31Å; D232-K235 WeakPolarHBondContact OD2-CD 3.46Å; D232-K235 WeakPolarHBondContact OD2-CE 3.34Å; D232-K235 IonicContact OD2-NZ 3.65Å; D232-K235 PolarHBondContact OD2-NZ 3.19Å; R233-K235 VanDerWaalsContact C-N 3.28Å; R233-K235 PolarHBondContact O-N 3.1Å
236	T	80.1	Confident	76.5	Confident	33 Å²	33	78.6 Å²	78.6	20%	0.202	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-129.6	145.6	-179.2	47.4	0	0	0	0	112.7	P224 Y226 R233 E234 I433	P224-T236 HydrophobicContact CB-CG2 4.23Å; Y226-T236 HydrophobicContact CE1-CG2 4.36Å; R233-T236 PolarHBondContact O-OG1 3.15Å; E234-T236 PolarHBondContact O-N 3.43Å; T236-I433 WeakPolarHBondContact OG1-CD1 3.4Å
237	G	83.2	Confident	77	Confident	4 Å²	4	76.3 Å²	76.3	4%	0.041	37%	0.371	C	S	.	.			trans	79.6	139.5	166.2	0	0	0	0	0	117.4	A221 V223 K239 R240	A221-G237 VanDerWaalsContact O-CA 3.3Å; A221-G237 WeakPolarHBondContact O-CA 3.38Å; V223-G237 PolarHBondContact O-N 2.77Å; G237-K239 PolarHBondContact O-N 3.32Å; G237-K239 VanDerWaalsContact O-N 3.11Å; G237-R240 PolarHBondContact O-N 3.01Å; G237-R240 VanDerWaalsContact O-N 3.13Å
238	I	88.4	Confident	77.9	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-54.2	-32.1	179.2	-169.9	59.2	0	0	0	113.6	L86 F103 L220 R240 L241 L242 Y247 A250	L86-I238 HydrophobicContact CD1-CD1 4.05Å; L86-I238 HydrophobicContact CD2-CD1 4.18Å; L86-I238 HydrophobicContact CD2-CG1 4.4Å; F103-I238 HydrophobicContact CE1-CD1 3.94Å; F103-I238 HydrophobicContact CZ-CB 4.18Å; F103-I238 HydrophobicContact CZ-CD1 4.27Å; L220-I238 HydrophobicContact CB-CB 4.26Å; L220-I238 HydrophobicContact CB-CG2 3.98Å; L220-I238 WeakPolarHBondContact O-CB 3.21Å; L220-I238 WeakPolarHBondContact O-CG2 3.29Å; L220-I238 PolarHBondContact O-N 2.74Å; I238-R240 VanDerWaalsContact C-N 3.27Å; I238-R240 PolarHBondContact O-N 2.69Å; I238-L241 HydrophobicContact CD1-CB 4.38Å; I238-L241 PolarHBondContact O-N 3.15Å; I238-L241 VanDerWaalsContact O-N 3.12Å; I238-L242 HydrophobicContact CD1-CG 4.5Å; I238-L242 HydrophobicContact CG1-CD1 4.08Å; I238-L242 HydrophobicContact CG1-CG 4.22Å; I238-L242 WeakPolarHBondContact O-CG 3.36Å; I238-L242 PolarHBondContact O-N 3.08Å; I238-Y247 HydrophobicContact CD1-CD2 3.56Å; I238-Y247 HydrophobicContact CD1-CE2 4Å; I238-Y247 HydrophobicContact CD1-CG 4.29Å; I238-A250 HydrophobicContact CG1-CB 4.09Å
239	K	85	Confident	79.3	Confident	55 Å²	55	65.9 Å²	65.9	24%	0.239	33%	0.334	C	S	.	.	H	α-helix	trans	-58.5	-37.2	-179.9	-65.8	-169.1	-176.8	-172.7	0	112	G237 N243 H551	G237-K239 PolarHBondContact O-N 3.32Å; G237-K239 VanDerWaalsContact O-N 3.11Å; K239-N243 VanDerWaalsContact O-CG 3.28Å; K239-N243 PolarHBondContact O-N 3.45Å; K239-N243 VanDerWaalsContact O-N 3.08Å; K239-N243 PolarHBondContact O-OD1 2.88Å; K239-H551 PolarHBondContact NZ-CE1 2.75Å; K239-H551 PolarHBondContact NZ-NE2 2.97Å
240	R	84.6	Confident	80.9	Confident	95 Å²	95	63.2 Å²	63.2	36%	0.358	31%	0.305	S	S	.	.	H	α-helix	trans	-76.9	-33.3	178	-165.4	166.6	-176.9	164.4	2.7	112.2	Y225 E234 G237 I238 N243 N244	Y225-R240 HydrophobicContact CE1-CB 4.41Å; Y225-R240 VanDerWaalsContact OH-CD 3.29Å; Y225-R240 WeakPolarHBondContact OH-CD 3.4Å; Y225-R240 WeakPolarHBondContact OH-CG 3.47Å; E234-R240 VanDerWaalsContact CB-NH1 3.28Å; E234-R240 WeakPolarHBondContact O-CD 3.43Å; E234-R240 PolarHBondContact O-NH1 2.93Å; E234-R240 IonicContact OE2-CZ 2.9Å; E234-R240 IonicContact OE2-NH1 3.82Å; E234-R240 PolarHBondContact OE2-NH1 2.91Å; E234-R240 IonicContact OE2-NH2 3.63Å; E234-R240 PolarHBondContact OE2-NH2 3.13Å; G237-R240 PolarHBondContact O-N 3.01Å; G237-R240 VanDerWaalsContact O-N 3.13Å; I238-R240 VanDerWaalsContact C-N 3.27Å; I238-R240 PolarHBondContact O-N 2.69Å; R240-N243 PolarHBondContact O-N 3.3Å; R240-N244 WeakPolarHBondContact O-CB 3.48Å; R240-N244 PolarHBondContact O-N 3.12Å; R240-N244 PolarHBondContact O-ND2 3.4Å; R240-N244 VanDerWaalsContact O-ND2 3.12Å
241	L	88	Confident	82.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.3	-33.5	173.6	-64.2	174.3	0	0	0	112.6	R99 F103 Y225 I238 G245 T246 Y247	R99-L241 HydrophobicContact CB-CD2 4.44Å; F103-L241 HydrophobicContact CB-CD1 4.08Å; F103-L241 HydrophobicContact CD1-CD1 3.82Å; F103-L241 HydrophobicContact CD2-CD1 3.73Å; F103-L241 HydrophobicContact CE1-CD1 4.12Å; F103-L241 HydrophobicContact CE2-CD1 4.04Å; F103-L241 HydrophobicContact CG-CD1 3.61Å; F103-L241 HydrophobicContact CZ-CD1 4.23Å; Y225-L241 HydrophobicContact CD1-CD1 3.91Å; Y225-L241 HydrophobicContact CD1-CD2 3.77Å; Y225-L241 HydrophobicContact CD1-CG 3.79Å; Y225-L241 HydrophobicContact CD2-CD2 3.84Å; Y225-L241 HydrophobicContact CE1-CD1 4.48Å; Y225-L241 HydrophobicContact CE1-CD2 3.82Å; Y225-L241 HydrophobicContact CE1-CG 3.87Å; Y225-L241 HydrophobicContact CE2-CD2 3.92Å; Y225-L241 HydrophobicContact CG-CD1 4.22Å; Y225-L241 HydrophobicContact CG-CD2 3.79Å; Y225-L241 HydrophobicContact CG-CG 4.25Å; I238-L241 HydrophobicContact CD1-CB 4.38Å; I238-L241 PolarHBondContact O-N 3.15Å; I238-L241 VanDerWaalsContact O-N 3.12Å; L241-G245 PolarHBondContact O-N 2.73Å; L241-T246 HydrophobicContact CD2-CG2 4.16Å; L241-T246 WeakPolarHBondContact O-CA 3.48Å; L241-T246 WeakPolarHBondContact O-CB 3.27Å; L241-T246 PolarHBondContact O-N 3.31Å; L241-Y247 HydrophobicContact CB-CD2 4Å; L241-Y247 HydrophobicContact CB-CE2 4.48Å; L241-Y247 HydrophobicContact CD1-CD2 4.36Å; L241-Y247 HydrophobicContact CD1-CE2 4.01Å; L241-Y247 PolarHBondContact O-N 2.69Å
242	L	89.1	Confident	84.1	Confident	53 Å²	53	45.9 Å²	45.9	28%	0.277	23%	0.234	S	C	.	.	H	α-helix	trans	-68.8	-48.2	170.8	-69.5	166.8	0	0	0	111.6	I238 N244 G245 A250	I238-L242 HydrophobicContact CD1-CG 4.5Å; I238-L242 HydrophobicContact CG1-CD1 4.08Å; I238-L242 HydrophobicContact CG1-CG 4.22Å; I238-L242 WeakPolarHBondContact O-CG 3.36Å; I238-L242 PolarHBondContact O-N 3.08Å; L242-N244 VanDerWaalsContact C-N 3.28Å; L242-N244 PolarHBondContact O-N 3.04Å; L242-G245 WeakPolarHBondContact O-CA 3.29Å; L242-G245 PolarHBondContact O-N 2.87Å; L242-A250 HydrophobicContact CD1-CB 4.03Å; L242-A250 HydrophobicContact CD2-CB 4.32Å
243	N	87	Confident	85.3	Confident	146 Å²	146	43.6 Å²	43.6	78%	0.781	22%	0.221	S	C	*	.	H	α-helix	trans	-63.6	-31.6	179.2	-71.8	-0.6	0	0	0	113.1	K239 R240 G245	K239-N243 VanDerWaalsContact O-CG 3.28Å; K239-N243 PolarHBondContact O-N 3.45Å; K239-N243 VanDerWaalsContact O-N 3.08Å; K239-N243 PolarHBondContact O-OD1 2.88Å; R240-N243 PolarHBondContact O-N 3.3Å; N243-G245 PolarHBondContact O-N 2.77Å
244	N	86.3	Confident	86.7	Confident	67 Å²	67	36.8 Å²	36.8	36%	0.358	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-4.2	172.6	-68.7	-24.6	0	0	0	113.6	R240 L242 T246	R240-N244 WeakPolarHBondContact O-CB 3.48Å; R240-N244 PolarHBondContact O-N 3.12Å; R240-N244 PolarHBondContact O-ND2 3.4Å; R240-N244 VanDerWaalsContact O-ND2 3.12Å; L242-N244 VanDerWaalsContact C-N 3.28Å; L242-N244 PolarHBondContact O-N 3.04Å; N244-T246 VanDerWaalsContact C-N 3.31Å; N244-T246 PolarHBondContact O-N 2.79Å
245	G	87.5	Confident	87.8	Confident	32 Å²	32	32.7 Å²	32.7	33%	0.33	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	37.7	-173.1	0	0	0	0	0	113.2	K96 L241 L242 N243	K96-G245 PolarHBondContact NZ-O 3.44Å; L241-G245 PolarHBondContact O-N 2.73Å; L242-G245 WeakPolarHBondContact O-CA 3.29Å; L242-G245 PolarHBondContact O-N 2.87Å; N243-G245 PolarHBondContact O-N 2.77Å
246	T	90.4	Very high	88.5	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.012	16%	0.164	C	C	.	.	S	Bend	trans	-86.5	-38.9	174.4	-57.2	0	0	0	0	111.2	K96 R100 L241 N244	K96-T246 HydrophobicContact CB-CG2 4.26Å; R100-T246 HydrophobicContact CG-CG2 3.54Å; R100-T246 PolarHBondContact NH1-O 2.79Å; L241-T246 HydrophobicContact CD2-CG2 4.16Å; L241-T246 WeakPolarHBondContact O-CA 3.48Å; L241-T246 WeakPolarHBondContact O-CB 3.27Å; L241-T246 PolarHBondContact O-N 3.31Å; N244-T246 VanDerWaalsContact C-N 3.31Å; N244-T246 PolarHBondContact O-N 2.79Å
247	Y	92.6	Very high	88.8	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.008	16%	0.164	C	C	.	.	S	Bend	trans	-108.7	151.9	157.8	-66.3	-78.5	0	0	0	109	L86 S87 Y88 R100 F103 E104 I238 L241	L86-Y247 HydrophobicContact CB-CD1 3.9Å; L86-Y247 HydrophobicContact CB-CE1 4.1Å; L86-Y247 HydrophobicContact CD1-CD1 4.31Å; L86-Y247 HydrophobicContact CD1-CD2 4.5Å; L86-Y247 HydrophobicContact CD1-CE1 4Å; L86-Y247 HydrophobicContact CD1-CE2 4.18Å; S87-Y247 CarbonylContact O-C 3.51Å; Y88-Y247 AromaticContact CD1-CD1 3.87Å; Y88-Y247 HydrophobicContact CD1-CD1 3.87Å; Y88-Y247 AromaticContact CD1-CE1 3.71Å; Y88-Y247 HydrophobicContact CD1-CE1 3.71Å; Y88-Y247 HydrophobicContact CE1-CE1 4.4Å; Y88-Y247 HydrophobicContact CG-CD1 4.33Å; Y88-Y247 HydrophobicContact CG-CE1 4.47Å; R100-Y247 HydrophobicContact CG-CE1 4.17Å; R100-Y247 HydrophobicContact CG-CE2 4.22Å; F103-Y247 AromaticContact CD1-CE2 3.85Å; F103-Y247 HydrophobicContact CD1-CE2 3.85Å; F103-Y247 HydrophobicContact CE1-CE2 4.25Å; E104-Y247 WeakPolarHBondContact CG-OH 3.19Å; E104-Y247 PolarHBondContact OE1-OH 2.91Å; I238-Y247 HydrophobicContact CD1-CD2 3.56Å; I238-Y247 HydrophobicContact CD1-CE2 4Å; I238-Y247 HydrophobicContact CD1-CG 4.29Å; L241-Y247 HydrophobicContact CB-CD2 4Å; L241-Y247 HydrophobicContact CB-CE2 4.48Å; L241-Y247 HydrophobicContact CD1-CD2 4.36Å; L241-Y247 HydrophobicContact CD1-CE2 4.01Å; L241-Y247 PolarHBondContact O-N 2.69Å
248	T	89.6	Confident	88.9	Confident	71 Å²	71	33.2 Å²	33.2	44%	0.436	17%	0.173	S	C	.	.	S	Bend	trans	-90.4	-30.7	177.5	58.1	0	0	0	0	112.8	S87 V89	S87-T248 PolarHBondContact O-N 2.9Å; S87-T248 PolarHBondContact O-OG1 3.28Å; S87-T248 VanDerWaalsContact O-OG1 3.11Å; S87-T248 PolarHBondContact OG-OG1 3.27Å; V89-T248 HydrophobicContact CG2-CG2 4.18Å
249	A	91.3	Very high	88.7	Confident	7 Å²	7	40 Å²	40	6%	0.058	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	161.5	173.7	0	0	0	0	0	111.8	L86 S87 F251 Y664 R722	L86-A249 WeakPolarHBondContact CA-O 3.32Å; S87-A249 PolarHBondContact N-O 3.01Å; S87-A249 PolarHBondContact O-N 3.37Å; S87-A249 WeakPolarHBondContact OG-CB 3.38Å; S87-A249 PolarHBondContact OG-N 3Å; A249-F251 HydrophobicContact CB-CD1 3.98Å; A249-F251 HydrophobicContact CB-CE1 4.15Å; A249-Y664 HydrophobicContact CB-CE2 4.29Å; A249-R722 VanDerWaalsContact CB-NH1 3.3Å
250	A	93.3	Very high	88.6	Confident	19 Å²	19	43 Å²	43	16%	0.157	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	120.5	171.9	0	0	0	0	0	107.4	F84 V85 L86 I238 L242	F84-A250 HydrophobicContact CE1-CB 4Å; V85-A250 WeakPolarHBondContact O-CA 3.31Å; L86-A250 HydrophobicContact CD2-CB 3.38Å; I238-A250 HydrophobicContact CG1-CB 4.09Å; L242-A250 HydrophobicContact CD1-CB 4.03Å; L242-A250 HydrophobicContact CD2-CB 4.32Å
251	F	93.3	Very high	88.4	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	148.3	-175.5	57.4	-79.2	0	0	0	112.9	F84 V85 A249 L253 D663 Y664	F84-F251 VanDerWaalsContact CE1-N 3.33Å; V85-F251 HydrophobicContact CB-CE2 4.49Å; V85-F251 HydrophobicContact CB-CZ 4.33Å; V85-F251 HydrophobicContact CG1-CE1 4.43Å; V85-F251 HydrophobicContact CG1-CZ 4.2Å; V85-F251 PolarHBondContact N-O 2.77Å; V85-F251 PolarHBondContact O-N 2.68Å; A249-F251 HydrophobicContact CB-CD1 3.98Å; A249-F251 HydrophobicContact CB-CE1 4.15Å; F251-L253 HydrophobicContact CD2-CD2 4.29Å; F251-L253 HydrophobicContact CE2-CD2 3.83Å; F251-D663 HydrophobicContact CE2-CB 4.01Å; F251-Y664 HydrophobicContact CE1-CD2 4.02Å; F251-Y664 HydrophobicContact CZ-CD2 4.3Å
252	P	94.1	Very high	87.6	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.013	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-78	156.4	166.8	32.4	-31.9	0	0	0	111.2	F84 N213 R723 V725	F84-P252 HydrophobicContact CD2-CB 4.09Å; F84-P252 HydrophobicContact CE2-CB 4.02Å; F84-P252 HydrophobicContact CE2-CG 4.18Å; N213-P252 HydrophobicContact CB-CB 4.03Å; N213-P252 WeakPolarHBondContact ND2-CB 3.21Å; P252-R723 WeakPolarHBondContact CD-O 3.28Å; P252-R723 HydrophobicContact CG-CB 4.21Å; P252-R723 HydrophobicContact CG-CG 4.3Å; P252-R723 WeakPolarHBondContact CG-O 3.19Å; P252-V725 HydrophobicContact CG-CG2 4.33Å
253	L	91.2	Very high	86.5	Confident	8 Å²	8	53.4 Å²	53.4	4%	0.042	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-87	153.6	-178.9	-64.7	-174.3	0	0	0	113.6	I82 V85 F251 W660 D663 R723	I82-L253 HydrophobicContact CB-CD1 4Å; I82-L253 HydrophobicContact CD1-CD1 3.91Å; I82-L253 HydrophobicContact CG2-CD1 3.73Å; I82-L253 HydrophobicContact CG2-CG 4.3Å; V85-L253 HydrophobicContact CG2-CD1 4.06Å; V85-L253 HydrophobicContact CG2-CD2 3.85Å; V85-L253 HydrophobicContact CG2-CG 3.92Å; F251-L253 HydrophobicContact CD2-CD2 4.29Å; F251-L253 HydrophobicContact CE2-CD2 3.83Å; L253-W660 HydrophobicContact CD2-CB 4.05Å; L253-D663 HydrophobicContact CD2-CB 4.4Å; L253-R723 WeakPolarHBondContact O-CD 3.5Å; L253-R723 PolarHBondContact O-NH1 3.07Å
254	H	91	Very high	85.4	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-85.5	137.9	163.3	-67.6	-87.2	0	0	0	111.3	C256 R271 Y296 R659 D663 F721 R723	H254-C256 PolarHBondContact O-N 3.18Å; H254-R271 PolarHBondContact CD2-NH1 3.38Å; H254-R271 VanDerWaalsContact CG-CZ 3.44Å; H254-R271 PolarHBondContact NE2-NH2 3.36Å; H254-Y296 WeakPolarHBondContact CB-OH 3.47Å; H254-Y296 AromaticContact ND1-CE1 3.92Å; H254-Y296 AromaticContact ND1-CZ 3.78Å; H254-Y296 PolarHBondContact ND1-OH 3.05Å; H254-R659 PolarHBondContact O-NE 2.8Å; H254-R659 PolarHBondContact O-NH2 3.2Å; H254-D663 WeakPolarHBondContact CB-OD2 3.46Å; H254-D663 IonicContact CD2-OD1 3.42Å; H254-D663 IonicContact CD2-OD2 3.97Å; H254-D663 PolarHBondContact CD2-OD2 3.41Å; H254-D663 IonicContact CG-OD2 2.79Å; H254-D663 PolarHBondContact N-OD2 2.82Å; H254-F721 PolarHBondContact NE2-O 3.36Å; H254-R723 PolarHBondContact NE2-N 3.01Å
255	D	87.5	Confident	84	Confident	15 Å²	15	51.1 Å²	51.1	8%	0.08	26%	0.256	C	S	.	.	S	Bend	trans	-58.3	-43.1	-174.7	-38.4	-10.2	0	0	0	113.5	V73 Y296 R723	V73-D255 VanDerWaalsContact CG1-O 3.29Å; V73-D255 WeakPolarHBondContact CG1-O 3.38Å; D255-Y296 VanDerWaalsContact OD2-CE2 3.32Å; D255-Y296 WeakPolarHBondContact OD2-CE2 3.03Å; D255-R723 IonicContact OD1-CZ 3.57Å; D255-R723 IonicContact OD1-NH1 2.63Å; D255-R723 PolarHBondContact OD1-NH1 3.29Å; D255-R723 IonicContact OD1-NH2 2.65Å
256	C	86.1	Confident	82.6	Confident	5 Å²	5	57 Å²	57	3%	0.034	28%	0.275	C	S	.	.	S	Bend	trans	-147.1	-180	-177.1	76.5	0	0	0	0	112.6	H254 A262 R271	H254-C256 PolarHBondContact O-N 3.18Å; C256-A262 HydrophobicContact CB-CB 4.37Å; C256-R271 WeakPolarHBondContact O-CD 3.41Å; C256-R271 PolarHBondContact O-NH1 3.14Å
257	R	85.8	Confident	81.2	Confident	54 Å²	54	57.9 Å²	57.9	20%	0.204	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-76.8	138.4	170.9	-53.3	-179.1	-166.4	-139.4	-7.2	109	D71 W259 K260	D71-R257 VanDerWaalsContact CG-NE 3.34Å; D71-R257 IonicContact OD1-CZ 3.41Å; D71-R257 VanDerWaalsContact OD1-CZ 3.28Å; D71-R257 IonicContact OD1-NE 3.28Å; D71-R257 PolarHBondContact OD1-NE 3.48Å; D71-R257 IonicContact OD1-NH2 3.05Å; D71-R257 PolarHBondContact OD1-NH2 2.99Å; D71-R257 IonicContact OD2-CZ 2.7Å; D71-R257 IonicContact OD2-NE 3.53Å; D71-R257 PolarHBondContact OD2-NE 3.17Å; D71-R257 IonicContact OD2-NH2 2.59Å; D71-R257 PolarHBondContact OD2-NH2 3.04Å; R257-W259 HydrophobicContact CB-CD2 4.27Å; R257-W259 HydrophobicContact CB-CE3 4.07Å; R257-W259 HydrophobicContact CB-CH2 4.24Å; R257-W259 HydrophobicContact CB-CZ2 4.43Å; R257-W259 HydrophobicContact CB-CZ3 4.05Å; R257-W259 HydrophobicContact CG-CH2 4.46Å; R257-W259 PolarHBondContact O-N 2.9Å; R257-K260 PolarHBondContact O-N 2.96Å
258	Y	85.3	Confident	80.1	Confident	59 Å²	59	61.9 Å²	61.9	23%	0.231	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-24.9	-175	65.4	-102.4	0	0	0	113.7	F272 Y275 T719	Y258-F272 WeakPolarHBondContact O-CD2 3.43Å; Y258-Y275 HydrophobicContact CD2-CD1 4.01Å; Y258-Y275 AromaticContact CD2-CD2 3.92Å; Y258-Y275 HydrophobicContact CD2-CD2 3.92Å; Y258-Y275 AromaticContact CD2-CE1 3.98Å; Y258-Y275 HydrophobicContact CD2-CE1 3.98Å; Y258-Y275 AromaticContact CD2-CE2 3.91Å; Y258-Y275 HydrophobicContact CD2-CE2 3.91Å; Y258-Y275 AromaticContact CD2-CG 3.98Å; Y258-Y275 HydrophobicContact CD2-CG 3.98Å; Y258-Y275 AromaticContact CD2-CZ 3.95Å; Y258-Y275 HydrophobicContact CE2-CE1 4.45Å; Y258-Y275 HydrophobicContact CE2-CE2 4.28Å; Y258-Y275 WeakPolarHBondContact O-CB 3.46Å; Y258-Y275 WeakPolarHBondContact O-CD1 3.49Å; Y258-T719 HydrophobicContact CD1-CG2 3.81Å; Y258-T719 HydrophobicContact CD2-CG2 3.76Å; Y258-T719 HydrophobicContact CE1-CG2 3.96Å; Y258-T719 HydrophobicContact CE2-CG2 3.92Å; Y258-T719 HydrophobicContact CG-CG2 3.72Å
259	W	83.1	Confident	79.8	Confident	144 Å²	144	59 Å²	59	55%	0.545	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-6.9	-176.2	69.3	97.1	0	0	0	115	R257	R257-W259 HydrophobicContact CB-CD2 4.27Å; R257-W259 HydrophobicContact CB-CE3 4.07Å; R257-W259 HydrophobicContact CB-CH2 4.24Å; R257-W259 HydrophobicContact CB-CZ2 4.43Å; R257-W259 HydrophobicContact CB-CZ3 4.05Å; R257-W259 HydrophobicContact CG-CH2 4.46Å; R257-W259 PolarHBondContact O-N 2.9Å
260	K	83.6	Confident	79.6	Confident	118 Å²	118	59 Å²	59	51%	0.513	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-140.5	127.7	-178.5	-179	168.9	178.9	168.9	0	110.6	R257	R257-K260 PolarHBondContact O-N 2.96Å
261	R	79.6	Confident	79.5	Confident	175 Å²	175	58.4 Å²	58.4	66%	0.66	28%	0.275	S	S	*	.			trans	-55.5	148.5	173.3	-164.8	176.8	-174	-174.5	-1.5	110.7	F272	R261-F272 HydrophobicContact CB-CD1 4.44Å
262	A	73.3	Confident	79.3	Confident	26 Å²	26	60.1 Å²	60.1	22%	0.215	28%	0.282	C	S	.	.			trans	-56.1	153	172.1	0	0	0	0	0	111.2	C256 C267	C256-A262 HydrophobicContact CB-CB 4.37Å; A262-C267 HydrophobicContact CB-CB 3.62Å
263	R	65.4	Low	79.1	Confident	164 Å²	164	62.4 Å²	62.4	62%	0.619	29%	0.294	S	S	*	.	S	Bend	trans	-80.9	-40	177.7	-58.2	-168.7	-162.3	-159.6	8.2	112.3
264	N	64.4	Low	79.2	Confident	60 Å²	60	62 Å²	62	32%	0.321	29%	0.292	S	S	.	.	S	Bend	trans	-73.9	137.1	176.6	-60.8	44.1	0	0	0	109.6	E266 C267	N264-E266 VanDerWaalsContact C-N 3.33Å; N264-C267 HydrophobicContact CB-CB 4.31Å; N264-C267 PolarHBondContact O-N 2.91Å
265	A	56.3	Low	79.3	Confident	105 Å²	105	64.2 Å²	64.2	87%	0.868	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-30.4	177	0	0	0	0	0	112.4	C267	A265-C267 VanDerWaalsContact C-N 3.25Å; A265-C267 PolarHBondContact O-N 2.73Å
266	E	57.2	Low	79.4	Confident	156 Å²	156	67.6 Å²	67.6	73%	0.729	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-19	177.7	-53.3	112	172.8	0	0	113.5	N264 E268	N264-E266 VanDerWaalsContact C-N 3.33Å; E266-E268 PolarHBondContact O-N 3.04Å
267	C	62.5	Low	79.5	Confident	21 Å²	21	69 Å²	69	14%	0.142	32%	0.321	C	S	.	.	S	Bend	trans	-82	102.4	179.9	-77.9	0	0	0	0	111.5	A262 N264 A265 S269	A262-C267 HydrophobicContact CB-CB 3.62Å; N264-C267 HydrophobicContact CB-CB 4.31Å; N264-C267 PolarHBondContact O-N 2.91Å; A265-C267 VanDerWaalsContact C-N 3.25Å; A265-C267 PolarHBondContact O-N 2.73Å; C267-S269 PolarHBondContact O-N 3.09Å
268	E	68.1	Low	79.8	Confident	86 Å²	86	66.4 Å²	66.4	40%	0.402	31%	0.311	S	S	.	.			trans	-48.6	122.9	167.6	-65.5	-164.3	118.8	0	0	111.1	E266 E270 K295	E266-E268 PolarHBondContact O-N 3.04Å; E268-E270 VanDerWaalsContact C-N 3.34Å; E268-E270 HydrophobicContact CB-CG 4.02Å; E268-E270 PolarHBondContact O-N 3.48Å; E268-K295 IonicContact OE1-NZ 3.26Å; E268-K295 PolarHBondContact OE1-NZ 2.86Å; E268-K295 IonicContact OE2-NZ 2.76Å; E268-K295 PolarHBondContact OE2-NZ 3.31Å
269	S	83.1	Confident	80.1	Confident	10 Å²	10	63.6 Å²	63.6	7%	0.07	30%	0.3	C	S	.	.			trans	-96.7	47.1	-175.2	63.9	0	0	0	0	112.5	C267 R271 F272 N273	C267-S269 PolarHBondContact O-N 3.09Å; S269-R271 PolarHBondContact O-N 3.12Å; S269-F272 WeakPolarHBondContact O-CB 3.38Å; S269-F272 PolarHBondContact O-N 3.07Å; S269-F272 VanDerWaalsContact O-N 3.12Å; S269-N273 PolarHBondContact O-N 2.87Å; S269-N273 VanDerWaalsContact O-N 3.13Å
270	E	87.5	Confident	80.4	Confident	7 Å²	7	61.7 Å²	61.7	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-59.3	-46	-169.1	-54.8	-149.5	118.3	0	0	112.7	E268 F272 N273 L274 K295 Y296	E268-E270 VanDerWaalsContact C-N 3.34Å; E268-E270 HydrophobicContact CB-CG 4.02Å; E268-E270 PolarHBondContact O-N 3.48Å; E270-F272 VanDerWaalsContact C-N 3.25Å; E270-F272 PolarHBondContact O-N 3.32Å; E270-N273 PolarHBondContact O-N 3.34Å; E270-N273 VanDerWaalsContact O-N 3.08Å; E270-L274 PolarHBondContact O-N 3.09Å; E270-K295 VanDerWaalsContact OE1-CD 3.23Å; E270-K295 WeakPolarHBondContact OE1-CD 3.4Å; E270-K295 WeakPolarHBondContact OE1-CE 3.47Å; E270-K295 IonicContact OE1-NZ 3.31Å; E270-K295 PolarHBondContact OE1-NZ 3.19Å; E270-Y296 HydrophobicContact CB-CD2 3.58Å; E270-Y296 HydrophobicContact CB-CE2 3.98Å; E270-Y296 HydrophobicContact CB-CG 4.47Å; E270-Y296 HydrophobicContact CG-CD2 4.38Å; E270-Y296 WeakPolarHBondContact OE2-CD2 3.49Å
271	R	90.8	Very high	80.6	Confident	7 Å²	7	60.6 Å²	60.6	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-57.9	-36.2	177.6	-163.2	-166.6	-170	159.7	11	112.7	H254 C256 S269 Y275 Y296 D663 T718	H254-R271 PolarHBondContact CD2-NH1 3.38Å; H254-R271 VanDerWaalsContact CG-CZ 3.44Å; H254-R271 PolarHBondContact NE2-NH2 3.36Å; C256-R271 WeakPolarHBondContact O-CD 3.41Å; C256-R271 PolarHBondContact O-NH1 3.14Å; S269-R271 PolarHBondContact O-N 3.12Å; R271-Y275 VanDerWaalsContact O-CB 3.31Å; R271-Y275 WeakPolarHBondContact O-CB 3.31Å; R271-Y275 PolarHBondContact O-N 2.97Å; R271-Y296 HydrophobicContact CB-CE2 4.4Å; R271-D663 IonicContact NH1-OD1 3.75Å; R271-D663 PolarHBondContact NH1-OD1 3.33Å; R271-T718 HydrophobicContact CG-CG2 4.08Å; R271-T718 PolarHBondContact NE-O 3.45Å; R271-T718 PolarHBondContact NH2-O 3.35Å
272	F	90.6	Very high	80.9	Confident	40 Å²	40	59.5 Å²	59.5	18%	0.175	30%	0.295	C	S	.	.	H	α-helix	trans	-72.5	-38.9	177.2	172.6	-95.9	0	0	0	111.5	Y258 R261 S269 E270 Y275 K276	Y258-F272 WeakPolarHBondContact O-CD2 3.43Å; R261-F272 HydrophobicContact CB-CD1 4.44Å; S269-F272 WeakPolarHBondContact O-CB 3.38Å; S269-F272 PolarHBondContact O-N 3.07Å; S269-F272 VanDerWaalsContact O-N 3.12Å; E270-F272 VanDerWaalsContact C-N 3.25Å; E270-F272 PolarHBondContact O-N 3.32Å; F272-Y275 PolarHBondContact O-N 3.01Å; F272-K276 HydrophobicContact CE1-CD 4.09Å; F272-K276 HydrophobicContact CZ-CD 4.26Å; F272-K276 VanDerWaalsContact O-CB 3.23Å; F272-K276 WeakPolarHBondContact O-CB 3.44Å; F272-K276 PolarHBondContact O-N 2.95Å
273	N	90	Very high	81.5	Confident	49 Å²	49	59.1 Å²	59.1	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-66.8	-47.5	176.7	-69.1	-8.7	0	0	0	111.2	S269 E270 Y275 K276 H277 L292	S269-N273 PolarHBondContact O-N 2.87Å; S269-N273 VanDerWaalsContact O-N 3.13Å; E270-N273 PolarHBondContact O-N 3.34Å; E270-N273 VanDerWaalsContact O-N 3.08Å; N273-Y275 VanDerWaalsContact C-N 3.32Å; N273-Y275 PolarHBondContact O-N 3.35Å; N273-K276 PolarHBondContact O-N 2.94Å; N273-H277 WeakPolarHBondContact O-CB 3.44Å; N273-H277 PolarHBondContact O-N 3.14Å; N273-L292 HydrophobicContact CB-CD2 4.28Å
274	L	92.2	Very high	82.5	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-55.7	-44.8	172	-74.7	168.2	0	0	0	111.6	E270 W278 A279 P289 L292 I293 Y296 Y297	E270-L274 PolarHBondContact O-N 3.09Å; L274-W278 HydrophobicContact CB-CE3 4.29Å; L274-W278 HydrophobicContact CD2-CE3 3.88Å; L274-W278 HydrophobicContact CD2-CZ3 4.28Å; L274-W278 WeakPolarHBondContact O-CB 3.35Å; L274-W278 PolarHBondContact O-N 2.9Å; L274-A279 PolarHBondContact O-N 2.93Å; L274-P289 HydrophobicContact CD2-CG 4.36Å; L274-L292 HydrophobicContact CD2-CB 4.28Å; L274-L292 HydrophobicContact CD2-CD2 3.84Å; L274-L292 HydrophobicContact CD2-CG 3.84Å; L274-L292 HydrophobicContact CG-CD2 3.9Å; L274-L292 HydrophobicContact CG-CG 4.01Å; L274-I293 HydrophobicContact CD2-CG1 3.81Å; L274-Y296 HydrophobicContact CD1-CD1 3.72Å; L274-Y296 HydrophobicContact CD1-CD2 4.43Å; L274-Y296 HydrophobicContact CD1-CE1 4.48Å; L274-Y296 HydrophobicContact CD1-CG 3.69Å; L274-Y297 HydrophobicContact CD1-CE2 4.18Å
275	Y	92.6	Very high	83.4	Confident	47 Å²	47	59.2 Å²	59.2	18%	0.184	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-48.5	175.4	-176.6	-111.6	0	0	0	112.8	Y258 R271 F272 N273 A279 R280 T718 T719	Y258-Y275 HydrophobicContact CD2-CD1 4.01Å; Y258-Y275 AromaticContact CD2-CD2 3.92Å; Y258-Y275 HydrophobicContact CD2-CD2 3.92Å; Y258-Y275 AromaticContact CD2-CE1 3.98Å; Y258-Y275 HydrophobicContact CD2-CE1 3.98Å; Y258-Y275 AromaticContact CD2-CE2 3.91Å; Y258-Y275 HydrophobicContact CD2-CE2 3.91Å; Y258-Y275 AromaticContact CD2-CG 3.98Å; Y258-Y275 HydrophobicContact CD2-CG 3.98Å; Y258-Y275 AromaticContact CD2-CZ 3.95Å; Y258-Y275 HydrophobicContact CE2-CE1 4.45Å; Y258-Y275 HydrophobicContact CE2-CE2 4.28Å; Y258-Y275 WeakPolarHBondContact O-CB 3.46Å; Y258-Y275 WeakPolarHBondContact O-CD1 3.49Å; R271-Y275 VanDerWaalsContact O-CB 3.31Å; R271-Y275 WeakPolarHBondContact O-CB 3.31Å; R271-Y275 PolarHBondContact O-N 2.97Å; F272-Y275 PolarHBondContact O-N 3.01Å; N273-Y275 VanDerWaalsContact C-N 3.32Å; N273-Y275 PolarHBondContact O-N 3.35Å; Y275-A279 HydrophobicContact CD2-CB 4.35Å; Y275-R280 HydrophobicContact CE1-CG 4.48Å; Y275-R280 WeakPolarHBondContact O-CG 3.3Å; Y275-R280 PolarHBondContact O-N 3.27Å; Y275-T718 HydrophobicContact CD2-CG2 4.26Å; Y275-T719 HydrophobicContact CD2-CG2 3.92Å; Y275-T719 HydrophobicContact CE2-CG2 3.92Å
276	K	90.1	Very high	84.8	Confident	86 Å²	86	56.5 Å²	56.5	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-69.7	-35.2	-173.9	178.5	-172.9	167.4	-147.4	0	113.2	F272 N273	F272-K276 HydrophobicContact CE1-CD 4.09Å; F272-K276 HydrophobicContact CZ-CD 4.26Å; F272-K276 VanDerWaalsContact O-CB 3.23Å; F272-K276 WeakPolarHBondContact O-CB 3.44Å; F272-K276 PolarHBondContact O-N 2.95Å; N273-K276 PolarHBondContact O-N 2.94Å
277	H	88.6	Confident	86.1	Confident	33 Å²	33	52.6 Å²	52.6	15%	0.153	24%	0.24	C	C	.	.	H	α-helix	trans	-106.7	-23	-170.3	-70.8	-96.4	0	0	0	114.7	L174 I178 N273	L174-H277 HydrophobicContact CD2-CB 4.09Å; I178-H277 HydrophobicContact CD1-CB 4.46Å; I178-H277 VanDerWaalsContact CD1-CE1 3.48Å; I178-H277 WeakPolarHBondContact CD1-CE1 3.43Å; I178-H277 WeakPolarHBondContact CD1-ND1 3.35Å; N273-H277 WeakPolarHBondContact O-CB 3.44Å; N273-H277 PolarHBondContact O-N 3.14Å
278	W	91.6	Very high	87.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-49.4	-174.3	168.6	68.6	0	0	0	113.3	L274 R280 P289 I293 Y297 F305 R711 A714	L274-W278 HydrophobicContact CB-CE3 4.29Å; L274-W278 HydrophobicContact CD2-CE3 3.88Å; L274-W278 HydrophobicContact CD2-CZ3 4.28Å; L274-W278 WeakPolarHBondContact O-CB 3.35Å; L274-W278 PolarHBondContact O-N 2.9Å; W278-R280 VanDerWaalsContact C-N 3.3Å; W278-R280 PolarHBondContact O-N 2.9Å; W278-P289 HydrophobicContact CB-CG 3.92Å; W278-P289 HydrophobicContact CG-CG 4.26Å; W278-I293 HydrophobicContact CD2-CD1 3.95Å; W278-I293 HydrophobicContact CD2-CG1 4.38Å; W278-I293 VanDerWaalsContact CE2-CD1 3.46Å; W278-I293 HydrophobicContact CE3-CD1 4.39Å; W278-I293 HydrophobicContact CE3-CG1 4.36Å; W278-I293 HydrophobicContact CH2-CD1 3.99Å; W278-I293 HydrophobicContact CH2-CG1 4.08Å; W278-I293 HydrophobicContact CZ2-CD1 3.48Å; W278-I293 VanDerWaalsContact CZ2-CD1 3.48Å; W278-I293 HydrophobicContact CZ2-CG1 4.11Å; W278-I293 HydrophobicContact CZ3-CD1 4.42Å; W278-I293 HydrophobicContact CZ3-CG1 4.22Å; W278-Y297 HydrophobicContact CZ3-CE2 4.39Å; W278-F305 HydrophobicContact CH2-CD2 4.01Å; W278-F305 HydrophobicContact CH2-CE1 4.17Å; W278-F305 AromaticContact CH2-CE2 3.6Å; W278-F305 HydrophobicContact CH2-CE2 3.6Å; W278-F305 HydrophobicContact CH2-CG 4.47Å; W278-F305 AromaticContact CH2-CZ 3.67Å; W278-F305 HydrophobicContact CH2-CZ 3.67Å; W278-F305 AromaticContact CZ2-CD1 3.67Å; W278-F305 HydrophobicContact CZ2-CD1 3.67Å; W278-F305 AromaticContact CZ2-CD2 3.74Å; W278-F305 HydrophobicContact CZ2-CD2 3.74Å; W278-F305 AromaticContact CZ2-CE1 3.58Å; W278-F305 HydrophobicContact CZ2-CE1 3.58Å; W278-F305 AromaticContact CZ2-CE2 3.66Å; W278-F305 HydrophobicContact CZ2-CE2 3.66Å; W278-F305 AromaticContact CZ2-CG 3.74Å; W278-F305 HydrophobicContact CZ2-CG 3.74Å; W278-F305 AromaticContact CZ2-CZ 3.57Å; W278-F305 HydrophobicContact CZ2-CZ 3.57Å; W278-R711 WeakPolarHBondContact O-CD 3.46Å; W278-R711 PolarHBondContact O-NH1 3.01Å; W278-A714 HydrophobicContact CD2-CB 3.59Å; W278-A714 VanDerWaalsContact CE2-CB 3.44Å; W278-A714 HydrophobicContact CE3-CB 3.73Å; W278-A714 HydrophobicContact CG-CB 4.34Å; W278-A714 HydrophobicContact CH2-CB 3.65Å; W278-A714 HydrophobicContact CZ2-CB 3.49Å; W278-A714 VanDerWaalsContact CZ2-CB 3.49Å; W278-A714 HydrophobicContact CZ3-CB 3.76Å
279	A	91.9	Very high	88.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-87.1	20.3	-174	0	0	0	0	0	115.7	L274 Y275 A714 T718	L274-A279 PolarHBondContact O-N 2.93Å; Y275-A279 HydrophobicContact CD2-CB 4.35Å; A279-A714 VanDerWaalsContact CB-C 3.45Å; A279-A714 HydrophobicContact CB-CB 3.69Å; A279-A714 WeakPolarHBondContact CB-O 3.46Å; A279-T718 HydrophobicContact CB-CG2 4.48Å
280	R	89.5	Confident	89	Confident	104 Å²	104	49.8 Å²	49.8	39%	0.392	23%	0.225	S	C	.	.			trans	-100.5	128.6	169.2	-85.5	170.9	-175.1	-165.7	-1.1	109.7	Y275 W278 L282 C283	Y275-R280 HydrophobicContact CE1-CG 4.48Å; Y275-R280 WeakPolarHBondContact O-CG 3.3Å; Y275-R280 PolarHBondContact O-N 3.27Å; W278-R280 VanDerWaalsContact C-N 3.3Å; W278-R280 PolarHBondContact O-N 2.9Å; R280-L282 PolarHBondContact O-N 3.03Å; R280-C283 HydrophobicContact CB-CB 4.44Å; R280-C283 WeakPolarHBondContact O-CB 3.43Å; R280-C283 PolarHBondContact O-N 3.29Å
281	F	87.1	Confident	89.1	Confident	96 Å²	96	51.5 Å²	51.5	42%	0.421	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-53.7	-35.8	176.1	-63.7	-76.9	0	0	0	113.5	C283 F284 R711 V712 W715	F281-C283 PolarHBondContact O-N 3.18Å; F281-F284 WeakPolarHBondContact O-CB 3.43Å; F281-F284 PolarHBondContact O-N 3.47Å; F281-R711 HydrophobicContact CD1-CB 3.81Å; F281-R711 HydrophobicContact CE1-CB 4.09Å; F281-V712 HydrophobicContact CE1-CG2 3.88Å; F281-V712 HydrophobicContact CZ-CG2 4.41Å; F281-W715 HydrophobicContact CE2-CB 4.41Å; F281-W715 HydrophobicContact CE2-CD2 4.47Å; F281-W715 HydrophobicContact CE2-CG 4.12Å; F281-W715 HydrophobicContact CZ-CB 4.27Å; F281-W715 HydrophobicContact CZ-CD2 4.45Å; F281-W715 HydrophobicContact CZ-CG 4.26Å
282	L	86.9	Confident	89.1	Confident	152 Å²	152	51.5 Å²	51.5	80%	0.796	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-68	-11.7	176.1	-64.9	176.7	0	0	0	114.4	R280 Y285	R280-L282 PolarHBondContact O-N 3.03Å; L282-Y285 VanDerWaalsContact O-CE1 3.3Å; L282-Y285 WeakPolarHBondContact O-CE1 3.38Å
283	C	85.9	Confident	89.2	Confident	18 Å²	18	49.6 Å²	49.6	12%	0.122	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-95.9	17.7	176.7	-61	0	0	0	0	112.5	R280 F281 Y285 K286 R711	R280-C283 HydrophobicContact CB-CB 4.44Å; R280-C283 WeakPolarHBondContact O-CB 3.43Å; R280-C283 PolarHBondContact O-N 3.29Å; F281-C283 PolarHBondContact O-N 3.18Å; C283-Y285 PolarHBondContact O-N 3.42Å; C283-Y285 VanDerWaalsContact O-N 3.1Å; C283-K286 PolarHBondContact O-N 3.39Å; C283-R711 VanDerWaalsContact O-CZ 3.3Å; C283-R711 PolarHBondContact O-NH1 2.84Å; C283-R711 PolarHBondContact O-NH2 3.15Å
284	F	85.1	Confident	89.3	Confident	117 Å²	117	49.3 Å²	49.3	51%	0.513	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.6	-174.6	71.3	-89.3	0	0	0	114.5	F281 I707 R711	F281-F284 WeakPolarHBondContact O-CB 3.43Å; F281-F284 PolarHBondContact O-N 3.47Å; F284-I707 HydrophobicContact CB-CG2 4.05Å; F284-I707 HydrophobicContact CD2-CG2 3.93Å; F284-I707 HydrophobicContact CG-CG2 4.38Å; F284-R711 HydrophobicContact CB-CG 4.41Å; F284-R711 PolarHBondContact O-NH2 2.92Å
285	Y	83.9	Confident	89.2	Confident	108 Å²	108	50.2 Å²	50.2	42%	0.424	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.2	-180	64.6	-91.6	0	0	0	114.5	F172 L282 C283	F172-Y285 HydrophobicContact CD1-CD2 4.08Å; F172-Y285 WeakPolarHBondContact CD1-O 3.36Å; L282-Y285 VanDerWaalsContact O-CE1 3.3Å; L282-Y285 WeakPolarHBondContact O-CE1 3.38Å; C283-Y285 PolarHBondContact O-N 3.42Å; C283-Y285 VanDerWaalsContact O-N 3.1Å
286	K	85.4	Confident	89.1	Confident	48 Å²	48	48 Å²	48	21%	0.209	22%	0.218	C	C	.	.	S	Bend	trans	-88	149.4	-177.7	-66.9	-170.6	169.7	-77.7	0	112.1	P171 F172 L174 C283 R711	P171-K286 PolarHBondContact O-NZ 2.73Å; F172-K286 WeakPolarHBondContact O-CA 3.45Å; L174-K286 HydrophobicContact CD2-CB 4.49Å; L174-K286 HydrophobicContact CD2-CD 4.08Å; C283-K286 PolarHBondContact O-N 3.39Å; K286-R711 PolarHBondContact O-NH2 3.36Å
287	E	85.4	Confident	89.2	Confident	74 Å²	74	43.9 Å²	43.9	35%	0.346	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-55.5	162.9	173.6	-68.3	169.9	177	0	0	113.2	F172 R173 L174	F172-E287 PolarHBondContact O-N 3.01Å; R173-E287 WeakPolarHBondContact CA-OE2 3.32Å; R173-E287 WeakPolarHBondContact CG-OE2 3.48Å; L174-E287 WeakPolarHBondContact CD1-O 3.33Å
288	Q	90.3	Very high	89.3	Confident	33 Å²	33	42.4 Å²	42.4	15%	0.154	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-96.1	127.4	178.6	-62.3	-163.6	86.5	0	0	110.9	L290 F305 I710	Q288-L290 HydrophobicContact CB-CD2 3.99Å; Q288-L290 HydrophobicContact CB-CG 4.33Å; Q288-L290 PolarHBondContact O-N 3.46Å; Q288-F305 PolarHBondContact NE2-O 2.93Å; Q288-I710 HydrophobicContact CG-CG2 4.4Å
289	P	92.4	Very high	89.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	20%	0.197	C	C	.	.			trans	-80	69.4	179.1	33.9	-34.5	0	0	0	110.7	L174 I178 L274 W278 N291 L292 I293	L174-P289 HydrophobicContact CD1-CB 3.84Å; L174-P289 HydrophobicContact CD1-CG 4.02Å; I178-P289 HydrophobicContact CG2-CB 3.99Å; I178-P289 WeakPolarHBondContact O-CB 3.46Å; L274-P289 HydrophobicContact CD2-CG 4.36Å; W278-P289 HydrophobicContact CB-CG 3.92Å; W278-P289 HydrophobicContact CG-CG 4.26Å; P289-N291 PolarHBondContact O-N 3.33Å; P289-N291 VanDerWaalsContact O-N 3.17Å; P289-L292 HydrophobicContact CB-CB 4.17Å; P289-L292 PolarHBondContact O-N 3.23Å; P289-I293 HydrophobicContact CG-CD1 4.49Å; P289-I293 WeakPolarHBondContact O-CG1 3.43Å; P289-I293 PolarHBondContact O-N 2.73Å
290	L	91.5	Very high	89.1	Confident	25 Å²	25	45 Å²	45	13%	0.131	21%	0.205	C	C	.	.	H	α-helix	trans	-55.4	-36.4	-171.1	-64.3	179.1	0	0	0	113.1	Q288 I293 K294 F305 A306 W413	Q288-L290 HydrophobicContact CB-CD2 3.99Å; Q288-L290 HydrophobicContact CB-CG 4.33Å; Q288-L290 PolarHBondContact O-N 3.46Å; L290-I293 HydrophobicContact CD2-CD1 4.45Å; L290-I293 PolarHBondContact O-N 3.19Å; L290-K294 PolarHBondContact O-N 3.18Å; L290-F305 HydrophobicContact CD2-CB 4.34Å; L290-A306 HydrophobicContact CD1-CB 3.88Å; L290-A306 HydrophobicContact CD2-CB 4.07Å; L290-W413 HydrophobicContact CB-CZ2 4.22Å
291	N	89.9	Confident	89.3	Confident	42 Å²	42	40.3 Å²	40.3	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-71.5	-34.2	179.1	-62.9	-33.5	0	0	0	113	M179 P181 P289 K294 K295 W413	M179-N291 WeakPolarHBondContact O-CB 3.15Å; M179-N291 PolarHBondContact O-ND2 2.89Å; P181-N291 HydrophobicContact CG-CB 4.49Å; P289-N291 PolarHBondContact O-N 3.33Å; P289-N291 VanDerWaalsContact O-N 3.17Å; N291-K294 WeakPolarHBondContact O-CB 3.41Å; N291-K294 PolarHBondContact O-N 2.84Å; N291-K295 WeakPolarHBondContact O-CB 3.27Å; N291-K295 PolarHBondContact O-N 3.3Å; N291-W413 PolarHBondContact OD1-NE1 2.94Å
292	L	90.8	Very high	89.6	Confident	7 Å²	7	35.7 Å²	35.7	4%	0.037	17%	0.168	C	C	.	.	H	α-helix	trans	-71	-34.8	172.7	-172.1	63	0	0	0	111.1	I178 P181 N273 L274 P289 K295 Y296	I178-L292 HydrophobicContact CG2-CD2 4.16Å; P181-L292 HydrophobicContact CB-CD1 4.35Å; P181-L292 HydrophobicContact CG-CB 4.44Å; P181-L292 HydrophobicContact CG-CD1 4.38Å; N273-L292 HydrophobicContact CB-CD2 4.28Å; L274-L292 HydrophobicContact CD2-CB 4.28Å; L274-L292 HydrophobicContact CD2-CD2 3.84Å; L274-L292 HydrophobicContact CD2-CG 3.84Å; L274-L292 HydrophobicContact CG-CD2 3.9Å; L274-L292 HydrophobicContact CG-CG 4.01Å; P289-L292 HydrophobicContact CB-CB 4.17Å; P289-L292 PolarHBondContact O-N 3.23Å; L292-K295 PolarHBondContact O-N 2.88Å; L292-Y296 WeakPolarHBondContact O-CB 3.48Å; L292-Y296 PolarHBondContact O-N 3.14Å
293	I	93	Very high	89.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.1	-44.8	172.2	-61.5	162	0	0	0	110.2	L274 W278 P289 L290 Y296 Y297 I301 F305	L274-I293 HydrophobicContact CD2-CG1 3.81Å; W278-I293 HydrophobicContact CD2-CD1 3.95Å; W278-I293 HydrophobicContact CD2-CG1 4.38Å; W278-I293 VanDerWaalsContact CE2-CD1 3.46Å; W278-I293 HydrophobicContact CE3-CD1 4.39Å; W278-I293 HydrophobicContact CE3-CG1 4.36Å; W278-I293 HydrophobicContact CH2-CD1 3.99Å; W278-I293 HydrophobicContact CH2-CG1 4.08Å; W278-I293 HydrophobicContact CZ2-CD1 3.48Å; W278-I293 VanDerWaalsContact CZ2-CD1 3.48Å; W278-I293 HydrophobicContact CZ2-CG1 4.11Å; W278-I293 HydrophobicContact CZ3-CD1 4.42Å; W278-I293 HydrophobicContact CZ3-CG1 4.22Å; P289-I293 HydrophobicContact CG-CD1 4.49Å; P289-I293 WeakPolarHBondContact O-CG1 3.43Å; P289-I293 PolarHBondContact O-N 2.73Å; L290-I293 HydrophobicContact CD2-CD1 4.45Å; L290-I293 PolarHBondContact O-N 3.19Å; I293-Y296 PolarHBondContact O-N 3.09Å; I293-Y297 HydrophobicContact CG2-CD2 4.3Å; I293-Y297 WeakPolarHBondContact O-CB 3.47Å; I293-Y297 PolarHBondContact O-N 3.35Å; I293-I301 HydrophobicContact CG2-CG2 4.27Å; I293-F305 HydrophobicContact CG2-CD2 4.13Å
294	K	91.3	Very high	90.3	Very high	44 Å²	44	27.8 Å²	27.8	19%	0.191	13%	0.125	C	C	.	.	H	α-helix	trans	-53.9	-55.1	171.4	-176.8	-142.2	-174.8	-179.5	0	110.6	L290 N291 Y296 G298 E299 W413 D414	L290-K294 PolarHBondContact O-N 3.18Å; N291-K294 WeakPolarHBondContact O-CB 3.41Å; N291-K294 PolarHBondContact O-N 2.84Å; K294-Y296 VanDerWaalsContact C-N 3.35Å; K294-Y296 PolarHBondContact O-N 3.17Å; K294-G298 VanDerWaalsContact O-CA 3.25Å; K294-G298 WeakPolarHBondContact O-CA 3.07Å; K294-G298 PolarHBondContact O-N 3.39Å; K294-E299 HydrophobicContact CG-CG 4.04Å; K294-W413 HydrophobicContact CD-CB 4.33Å; K294-W413 HydrophobicContact CD-CD2 4.39Å; K294-W413 HydrophobicContact CD-CG 3.83Å; K294-W413 HydrophobicContact CG-CD2 4.21Å; K294-W413 HydrophobicContact CG-CG 4.15Å; K294-D414 IonicContact NZ-OD2 2.7Å; K294-D414 PolarHBondContact NZ-OD2 3.42Å
295	K	89.5	Confident	90.8	Very high	19 Å²	19	22.2 Å²	22.2	8%	0.083	10%	0.1	C	C	.	.	H	α-helix	trans	-58.3	-44.1	-178.4	-173.4	178.6	170.1	-145	0	111.9	S210 E268 E270 N291 L292	S210-K295 WeakPolarHBondContact CB-O 3.29Å; S210-K295 PolarHBondContact OG-O 3.43Å; E268-K295 IonicContact OE1-NZ 3.26Å; E268-K295 PolarHBondContact OE1-NZ 2.86Å; E268-K295 IonicContact OE2-NZ 2.76Å; E268-K295 PolarHBondContact OE2-NZ 3.31Å; E270-K295 VanDerWaalsContact OE1-CD 3.23Å; E270-K295 WeakPolarHBondContact OE1-CD 3.4Å; E270-K295 WeakPolarHBondContact OE1-CE 3.47Å; E270-K295 IonicContact OE1-NZ 3.31Å; E270-K295 PolarHBondContact OE1-NZ 3.19Å; N291-K295 WeakPolarHBondContact O-CB 3.27Å; N291-K295 PolarHBondContact O-N 3.3Å; L292-K295 PolarHBondContact O-N 2.88Å
296	Y	91.9	Very high	91.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-81.5	-43.9	-172.9	-167.7	-103.5	0	0	0	115.1	H254 D255 E270 R271 L274 L292 I293 K294 R723	H254-Y296 WeakPolarHBondContact CB-OH 3.47Å; H254-Y296 AromaticContact ND1-CE1 3.92Å; H254-Y296 AromaticContact ND1-CZ 3.78Å; H254-Y296 PolarHBondContact ND1-OH 3.05Å; D255-Y296 VanDerWaalsContact OD2-CE2 3.32Å; D255-Y296 WeakPolarHBondContact OD2-CE2 3.03Å; E270-Y296 HydrophobicContact CB-CD2 3.58Å; E270-Y296 HydrophobicContact CB-CE2 3.98Å; E270-Y296 HydrophobicContact CB-CG 4.47Å; E270-Y296 HydrophobicContact CG-CD2 4.38Å; E270-Y296 WeakPolarHBondContact OE2-CD2 3.49Å; R271-Y296 HydrophobicContact CB-CE2 4.4Å; L274-Y296 HydrophobicContact CD1-CD1 3.72Å; L274-Y296 HydrophobicContact CD1-CD2 4.43Å; L274-Y296 HydrophobicContact CD1-CE1 4.48Å; L274-Y296 HydrophobicContact CD1-CG 3.69Å; L292-Y296 WeakPolarHBondContact O-CB 3.48Å; L292-Y296 PolarHBondContact O-N 3.14Å; I293-Y296 PolarHBondContact O-N 3.09Å; K294-Y296 VanDerWaalsContact C-N 3.35Å; K294-Y296 PolarHBondContact O-N 3.17Å; Y296-R723 VanDerWaalsContact CE2-NH2 3.34Å; Y296-R723 PolarHBondContact O-NE 2.84Å; Y296-R723 PolarHBondContact O-NH2 3.33Å
297	Y	91.9	Very high	91.9	Very high	1 Å²	1	15.2 Å²	15.2	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-108.7	-14.6	-171.6	-73.3	-67.3	0	0	0	114.6	L274 W278 I293 I301 F717 T718 P724	L274-Y297 HydrophobicContact CD1-CE2 4.18Å; W278-Y297 HydrophobicContact CZ3-CE2 4.39Å; I293-Y297 HydrophobicContact CG2-CD2 4.3Å; I293-Y297 WeakPolarHBondContact O-CB 3.47Å; I293-Y297 PolarHBondContact O-N 3.35Å; Y297-I301 HydrophobicContact CD1-CD1 4.29Å; Y297-I301 HydrophobicContact CD2-CG2 4.4Å; Y297-I301 HydrophobicContact CG-CD1 4.41Å; Y297-I301 HydrophobicContact CG-CG2 4.17Å; Y297-F717 HydrophobicContact CE1-CB 4.46Å; Y297-F717 PolarHBondContact OH-O 3.05Å; Y297-T718 VanDerWaalsContact OH-CA 3.29Å; Y297-T718 WeakPolarHBondContact OH-CA 3.28Å; Y297-T718 PolarHBondContact OH-N 3Å; Y297-P724 HydrophobicContact CD1-CG 3.89Å; Y297-P724 HydrophobicContact CE1-CG 4.41Å
298	G	90.9	Very high	92.3	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.01	6%	0.057	C	C	.	.			trans	89.2	164.9	-172.4	0	0	0	0	0	113.8	K294 K300 I301 G302	K294-G298 VanDerWaalsContact O-CA 3.25Å; K294-G298 WeakPolarHBondContact O-CA 3.07Å; K294-G298 PolarHBondContact O-N 3.39Å; G298-K300 VanDerWaalsContact C-N 3.35Å; G298-K300 PolarHBondContact O-N 3.42Å; G298-I301 PolarHBondContact O-N 2.7Å; G298-G302 PolarHBondContact O-N 2.84Å; G298-G302 VanDerWaalsContact O-N 3.12Å
299	E	89.8	Confident	92.5	Very high	16 Å²	16	10.9 Å²	10.9	8%	0.075	6%	0.058	C	C	.	.	H	α-helix	trans	-68	-33.2	-165.5	-50	85.8	159.4	0	0	112	R214 K294 I301 G302 I303 W413 L415 S727 K728	R214-E299 IonicContact NH1-OE1 3.48Å; R214-E299 IonicContact NH1-OE2 3.05Å; K294-E299 HydrophobicContact CG-CG 4.04Å; E299-I301 VanDerWaalsContact C-N 3.29Å; E299-I301 PolarHBondContact O-N 2.87Å; E299-G302 PolarHBondContact O-N 3.34Å; E299-I303 PolarHBondContact O-N 3.12Å; E299-W413 HydrophobicContact CB-CE3 4.35Å; E299-L415 HydrophobicContact CB-CD1 4.22Å; E299-L415 HydrophobicContact CG-CD1 4.47Å; E299-L415 HydrophobicContact CG-CD2 4.36Å; E299-S727 PolarHBondContact N-O 3.1Å; E299-K728 VanDerWaalsContact CD-CG 3.45Å; E299-K728 HydrophobicContact CG-CG 4.35Å; E299-K728 VanDerWaalsContact OE1-CG 3.31Å; E299-K728 WeakPolarHBondContact OE1-CG 3.4Å; E299-K728 WeakPolarHBondContact OE2-CA 3.46Å; E299-K728 WeakPolarHBondContact OE2-CG 3.19Å; E299-K728 PolarHBondContact OE2-N 2.9Å
300	K	89	Confident	92.6	Very high	38 Å²	38	11.8 Å²	11.8	17%	0.165	6%	0.062	C	C	.	.	H	α-helix	trans	-64.3	-26.9	177.1	-172.6	176.8	174.8	178.4	0	114.3	G298 E555 L674 S727 A729	G298-K300 VanDerWaalsContact C-N 3.35Å; G298-K300 PolarHBondContact O-N 3.42Å; K300-E555 IonicContact NZ-OE1 3.61Å; K300-E555 PolarHBondContact NZ-OE1 2.89Å; K300-E555 IonicContact NZ-OE2 3.93Å; K300-E555 PolarHBondContact NZ-OE2 3.29Å; K300-L674 HydrophobicContact CD-CD1 4.22Å; K300-L674 HydrophobicContact CG-CD1 3.82Å; K300-S727 WeakPolarHBondContact CB-O 3.34Å; K300-S727 PolarHBondContact N-O 3.24Å; K300-A729 HydrophobicContact CB-CB 3.77Å; K300-A729 HydrophobicContact CG-CB 3.91Å
301	I	92.8	Very high	92.8	Very high	6 Å²	6	10.6 Å²	10.6	3%	0.031	6%	0.055	C	C	.	.	H	α-helix	trans	-90.1	-35.6	172.9	-70.6	168.9	0	0	0	110.2	I293 Y297 G298 E299 I303 Y304 F305 L674 F717 P724	I293-I301 HydrophobicContact CG2-CG2 4.27Å; Y297-I301 HydrophobicContact CD1-CD1 4.29Å; Y297-I301 HydrophobicContact CD2-CG2 4.4Å; Y297-I301 HydrophobicContact CG-CD1 4.41Å; Y297-I301 HydrophobicContact CG-CG2 4.17Å; G298-I301 PolarHBondContact O-N 2.7Å; E299-I301 VanDerWaalsContact C-N 3.29Å; E299-I301 PolarHBondContact O-N 2.87Å; I301-I303 PolarHBondContact O-N 3.24Å; I301-Y304 PolarHBondContact O-N 3.44Å; I301-F305 HydrophobicContact CG2-CD2 3.9Å; I301-F305 HydrophobicContact CG2-CE2 3.75Å; I301-F305 WeakPolarHBondContact O-CD2 3.48Å; I301-F305 PolarHBondContact O-N 3.36Å; I301-L674 HydrophobicContact CG1-CD1 3.95Å; I301-F717 HydrophobicContact CD1-CD1 4.4Å; I301-F717 HydrophobicContact CD1-CE1 4Å; I301-P724 HydrophobicContact CD1-CB 4.16Å; I301-P724 HydrophobicContact CD1-CG 3.36Å
302	G	93.8	Very high	93.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-54.2	-47.9	170.4	0	0	0	0	0	113	G298 E299 Y304 F305 A306 W413	G298-G302 PolarHBondContact O-N 2.84Å; G298-G302 VanDerWaalsContact O-N 3.12Å; E299-G302 PolarHBondContact O-N 3.34Å; G302-Y304 VanDerWaalsContact C-N 3.32Å; G302-Y304 PolarHBondContact O-N 3.39Å; G302-F305 PolarHBondContact O-N 2.93Å; G302-A306 WeakPolarHBondContact O-CB 3.25Å; G302-A306 PolarHBondContact O-N 3.21Å; G302-W413 VanDerWaalsContact C-CH2 3.41Å
303	I	93.4	Very high	93.2	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.015	7%	0.074	C	C	.	.	H	α-helix	trans	-67.2	-31.1	-177.2	-160.7	64.8	0	0	0	112.7	E299 I301 W307 W402 Q406 L409 W413 I732	E299-I303 PolarHBondContact O-N 3.12Å; I301-I303 PolarHBondContact O-N 3.24Å; I303-W307 VanDerWaalsContact O-CB 3.3Å; I303-W307 WeakPolarHBondContact O-CB 3.47Å; I303-W307 PolarHBondContact O-N 2.94Å; I303-W402 HydrophobicContact CD1-CH2 3.82Å; I303-W402 HydrophobicContact CD1-CZ2 3.9Å; I303-W402 HydrophobicContact CG1-CH2 4.41Å; I303-W402 HydrophobicContact CG1-CZ2 4.22Å; I303-Q406 HydrophobicContact CD1-CG 4.41Å; I303-L409 HydrophobicContact CD1-CD1 3.94Å; I303-W413 HydrophobicContact CB-CZ3 3.99Å; I303-W413 HydrophobicContact CD1-CZ3 4.03Å; I303-I732 HydrophobicContact CG1-CG2 4.16Å
304	Y	94.9	Very high	93.2	Very high	1 Å²	1	15.4 Å²	15.4	0%	0.004	8%	0.078	C	C	.	.	H	α-helix	trans	-62.9	-52.3	173.5	170.3	-103.5	0	0	0	111.4	I301 G302 A306 W307 L308 L674 E677 Y678 D713	I301-Y304 PolarHBondContact O-N 3.44Å; G302-Y304 VanDerWaalsContact C-N 3.32Å; G302-Y304 PolarHBondContact O-N 3.39Å; Y304-A306 VanDerWaalsContact C-N 3.32Å; Y304-A306 PolarHBondContact O-N 2.94Å; Y304-W307 PolarHBondContact O-N 3.28Å; Y304-L308 HydrophobicContact CE1-CD2 4.22Å; Y304-L308 WeakPolarHBondContact O-CB 3.25Å; Y304-L308 PolarHBondContact O-N 2.94Å; Y304-L674 HydrophobicContact CD1-CD2 4.2Å; Y304-L674 HydrophobicContact CD2-CD2 4.16Å; Y304-L674 HydrophobicContact CG-CD2 3.78Å; Y304-E677 HydrophobicContact CD2-CB 4.49Å; Y304-E677 HydrophobicContact CE1-CB 4.34Å; Y304-E677 HydrophobicContact CE2-CB 3.7Å; Y304-Y678 WeakPolarHBondContact CA-OH 3.07Å; Y304-Y678 AromaticContact CD2-CD1 3.93Å; Y304-Y678 HydrophobicContact CD2-CD1 3.93Å; Y304-Y678 HydrophobicContact CD2-CD2 4.04Å; Y304-Y678 AromaticContact CD2-CE1 3.76Å; Y304-Y678 HydrophobicContact CD2-CE1 3.76Å; Y304-Y678 AromaticContact CD2-CE2 3.87Å; Y304-Y678 HydrophobicContact CD2-CE2 3.87Å; Y304-Y678 HydrophobicContact CD2-CG 4.07Å; Y304-Y678 AromaticContact CD2-CZ 3.73Å; Y304-Y678 HydrophobicContact CE2-CD1 4.34Å; Y304-Y678 HydrophobicContact CE2-CG 4.39Å; Y304-Y678 HydrophobicContact CG-CE2 4.47Å; Y304-Y678 PolarHBondContact N-OH 2.89Å; Y304-D713 VanDerWaalsContact CE1-OD2 3.22Å; Y304-D713 WeakPolarHBondContact CE1-OD2 3.28Å; Y304-D713 VanDerWaalsContact CZ-OD2 3.31Å; Y304-D713 PolarHBondContact OH-OD2 3.37Å
305	F	95.6	Very high	93.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68.3	-30.9	178.9	-74.5	-69	0	0	0	113.1	W278 Q288 L290 I293 I301 G302 G309 D713 F717	W278-F305 HydrophobicContact CH2-CD2 4.01Å; W278-F305 HydrophobicContact CH2-CE1 4.17Å; W278-F305 AromaticContact CH2-CE2 3.6Å; W278-F305 HydrophobicContact CH2-CE2 3.6Å; W278-F305 HydrophobicContact CH2-CG 4.47Å; W278-F305 AromaticContact CH2-CZ 3.67Å; W278-F305 HydrophobicContact CH2-CZ 3.67Å; W278-F305 AromaticContact CZ2-CD1 3.67Å; W278-F305 HydrophobicContact CZ2-CD1 3.67Å; W278-F305 AromaticContact CZ2-CD2 3.74Å; W278-F305 HydrophobicContact CZ2-CD2 3.74Å; W278-F305 AromaticContact CZ2-CE1 3.58Å; W278-F305 HydrophobicContact CZ2-CE1 3.58Å; W278-F305 AromaticContact CZ2-CE2 3.66Å; W278-F305 HydrophobicContact CZ2-CE2 3.66Å; W278-F305 AromaticContact CZ2-CG 3.74Å; W278-F305 HydrophobicContact CZ2-CG 3.74Å; W278-F305 AromaticContact CZ2-CZ 3.57Å; W278-F305 HydrophobicContact CZ2-CZ 3.57Å; Q288-F305 PolarHBondContact NE2-O 2.93Å; L290-F305 HydrophobicContact CD2-CB 4.34Å; I293-F305 HydrophobicContact CG2-CD2 4.13Å; I301-F305 HydrophobicContact CG2-CD2 3.9Å; I301-F305 HydrophobicContact CG2-CE2 3.75Å; I301-F305 WeakPolarHBondContact O-CD2 3.48Å; I301-F305 PolarHBondContact O-N 3.36Å; G302-F305 PolarHBondContact O-N 2.93Å; F305-G309 PolarHBondContact O-N 2.95Å; F305-D713 HydrophobicContact CE1-CB 3.55Å; F305-D713 HydrophobicContact CZ-CB 3.71Å; F305-F717 HydrophobicContact CE2-CD2 4.24Å; F305-F717 AromaticContact CZ-CD2 3.96Å; F305-F717 HydrophobicContact CZ-CD2 3.96Å; F305-F717 HydrophobicContact CZ-CE2 4.37Å
306	A	95.1	Very high	93.6	Very high	7 Å²	7	17.8 Å²	17.8	6%	0.058	9%	0.088	C	C	.	.	H	α-helix	trans	-65.9	-44.9	172.1	0	0	0	0	0	111.9	L290 G302 Y304 F310 W402 L409 W413	L290-A306 HydrophobicContact CD1-CB 3.88Å; L290-A306 HydrophobicContact CD2-CB 4.07Å; G302-A306 WeakPolarHBondContact O-CB 3.25Å; G302-A306 PolarHBondContact O-N 3.21Å; Y304-A306 VanDerWaalsContact C-N 3.32Å; Y304-A306 PolarHBondContact O-N 2.94Å; A306-F310 WeakPolarHBondContact O-CB 3.42Å; A306-F310 PolarHBondContact O-N 3.48Å; A306-W402 HydrophobicContact CB-CH2 4.39Å; A306-L409 HydrophobicContact CB-CD1 3.69Å; A306-W413 HydrophobicContact CB-CH2 4.29Å
307	W	96.3	Very high	93.8	Very high	1 Å²	1	23 Å²	23	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-64.9	-48.3	175.9	176.3	79.5	0	0	0	111.9	I303 Y304 G309 F310 Y311 F398 W402 Y678 M681 V682 I732 L739	I303-W307 VanDerWaalsContact O-CB 3.3Å; I303-W307 WeakPolarHBondContact O-CB 3.47Å; I303-W307 PolarHBondContact O-N 2.94Å; Y304-W307 PolarHBondContact O-N 3.28Å; W307-G309 VanDerWaalsContact C-N 3.33Å; W307-G309 PolarHBondContact O-N 3.41Å; W307-F310 PolarHBondContact O-N 2.88Å; W307-Y311 HydrophobicContact CH2-CD1 4.14Å; W307-Y311 HydrophobicContact CZ2-CD1 4.44Å; W307-Y311 HydrophobicContact CZ3-CD1 4.48Å; W307-Y311 VanDerWaalsContact O-CB 3.28Å; W307-Y311 WeakPolarHBondContact O-CB 2.98Å; W307-Y311 PolarHBondContact O-N 2.86Å; W307-F398 AromaticContact NE1-CZ 4Å; W307-W402 HydrophobicContact CB-CH2 3.66Å; W307-W402 HydrophobicContact CB-CZ2 3.86Å; W307-W402 HydrophobicContact CB-CZ3 4.07Å; W307-W402 AromaticContact CD1-CD2 3.74Å; W307-W402 AromaticContact CD1-CE2 3.65Å; W307-W402 AromaticContact CD1-CZ2 3.98Å; W307-W402 AromaticContact CD1-NE1 3.98Å; W307-W402 HydrophobicContact CG-CH2 4.46Å; W307-W402 HydrophobicContact CG-CZ2 4.33Å; W307-Y678 HydrophobicContact CD2-CE1 4.23Å; W307-Y678 AromaticContact CE3-CD1 3.97Å; W307-Y678 HydrophobicContact CE3-CD1 3.97Å; W307-Y678 AromaticContact CE3-CE1 3.89Å; W307-Y678 HydrophobicContact CE3-CE1 3.89Å; W307-Y678 HydrophobicContact CZ3-CD1 4.05Å; W307-Y678 HydrophobicContact CZ3-CE1 4.44Å; W307-M681 HydrophobicContact CH2-CB 3.6Å; W307-M681 HydrophobicContact CZ3-CB 3.51Å; W307-M681 HydrophobicContact CZ3-CG 4.14Å; W307-V682 HydrophobicContact CH2-CG2 4.1Å; W307-V682 HydrophobicContact CZ2-CG2 4.4Å; W307-I732 HydrophobicContact CB-CG2 4.16Å; W307-I732 HydrophobicContact CG-CG2 4.21Å; W307-L739 HydrophobicContact CZ2-CD1 3.84Å; W307-L739 HydrophobicContact CZ2-CD2 4.47Å
308	L	94.8	Very high	94	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-39.9	178.3	-179.7	57.5	0	0	0	111.7	Y304 Y311 T312 M681 N706 I710	Y304-L308 HydrophobicContact CE1-CD2 4.22Å; Y304-L308 WeakPolarHBondContact O-CB 3.25Å; Y304-L308 PolarHBondContact O-N 2.94Å; L308-Y311 HydrophobicContact CD1-CD1 4.29Å; L308-T312 WeakPolarHBondContact O-CB 3.49Å; L308-T312 PolarHBondContact O-N 3.45Å; L308-T312 PolarHBondContact O-OG1 3.48Å; L308-M681 HydrophobicContact CD1-CG 3.94Å; L308-M681 HydrophobicContact CD1-SD 3.51Å; L308-M681 VanDerWaalsContact CD1-SD 3.51Å; L308-N706 HydrophobicContact CD1-CB 4.49Å; L308-I710 HydrophobicContact CD2-CG1 3.56Å; L308-I710 HydrophobicContact CG-CD1 4.18Å; L308-I710 HydrophobicContact CG-CG1 3.6Å
309	G	94.1	Very high	94.2	Very high	17 Å²	17	23.1 Å²	23.1	18%	0.175	11%	0.112	C	C	.	.	H	α-helix	trans	-59.8	-52.8	172.8	0	0	0	0	0	112.3	F305 W307 Y311 T312 E313	F305-G309 PolarHBondContact O-N 2.95Å; W307-G309 VanDerWaalsContact C-N 3.33Å; W307-G309 PolarHBondContact O-N 3.41Å; G309-Y311 PolarHBondContact O-N 2.59Å; G309-T312 WeakPolarHBondContact O-CB 3.36Å; G309-T312 PolarHBondContact O-N 3.35Å; G309-T312 VanDerWaalsContact O-N 3.12Å; G309-E313 PolarHBondContact O-N 2.94Å
310	F	95.1	Very high	94.5	Very high	20 Å²	20	25.3 Å²	25.3	9%	0.088	13%	0.127	C	C	.	.	H	α-helix	trans	-62.4	-39.1	179.1	176.8	-99.4	0	0	0	113.1	A306 W307 T312 E313 M314 F398 F401 W402	A306-F310 WeakPolarHBondContact O-CB 3.42Å; A306-F310 PolarHBondContact O-N 3.48Å; W307-F310 PolarHBondContact O-N 2.88Å; F310-T312 VanDerWaalsContact C-N 3.3Å; F310-T312 PolarHBondContact O-N 3.18Å; F310-E313 PolarHBondContact O-N 3.5Å; F310-M314 HydrophobicContact CD1-CG 4.37Å; F310-M314 HydrophobicContact CD2-CG 4.39Å; F310-M314 HydrophobicContact CE1-CG 3.77Å; F310-M314 HydrophobicContact CE2-CG 3.79Å; F310-M314 HydrophobicContact CE2-SD 4.31Å; F310-M314 HydrophobicContact CZ-CG 3.43Å; F310-M314 VanDerWaalsContact CZ-CG 3.43Å; F310-M314 HydrophobicContact CZ-SD 4.06Å; F310-M314 WeakPolarHBondContact O-CB 3.23Å; F310-M314 WeakPolarHBondContact O-CG 3.42Å; F310-M314 PolarHBondContact O-N 3.4Å; F310-F398 HydrophobicContact CD1-CD2 4.13Å; F310-F398 AromaticContact CD1-CE2 3.84Å; F310-F398 HydrophobicContact CD1-CE2 3.84Å; F310-F398 AromaticContact CE1-CD2 3.62Å; F310-F398 HydrophobicContact CE1-CD2 3.62Å; F310-F398 AromaticContact CE1-CE2 3.79Å; F310-F398 HydrophobicContact CE1-CE2 3.79Å; F310-F401 HydrophobicContact CE2-CB 4.28Å; F310-F401 HydrophobicContact CZ-CB 3.63Å; F310-W402 HydrophobicContact CB-CE3 4.01Å; F310-W402 HydrophobicContact CB-CZ3 4.08Å; F310-W402 HydrophobicContact CD1-CB 4.01Å; F310-W402 HydrophobicContact CD1-CD2 4.33Å; F310-W402 AromaticContact CD1-CE3 3.59Å; F310-W402 HydrophobicContact CD1-CE3 3.59Å; F310-W402 HydrophobicContact CD1-CZ3 4.48Å; F310-W402 HydrophobicContact CE1-CB 3.67Å; F310-W402 HydrophobicContact CE1-CE3 4.34Å; F310-W402 AromaticContact CG-CE3 3.89Å; F310-W402 HydrophobicContact CG-CE3 3.89Å; F310-W402 HydrophobicContact CG-CZ3 4.41Å
311	Y	95.9	Very high	94.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-38.1	173.6	172.9	-142.2	0	0	0	111.9	W307 L308 G309 L315 W394 F398 F685 I688 N706	W307-Y311 HydrophobicContact CH2-CD1 4.14Å; W307-Y311 HydrophobicContact CZ2-CD1 4.44Å; W307-Y311 HydrophobicContact CZ3-CD1 4.48Å; W307-Y311 VanDerWaalsContact O-CB 3.28Å; W307-Y311 WeakPolarHBondContact O-CB 2.98Å; W307-Y311 PolarHBondContact O-N 2.86Å; L308-Y311 HydrophobicContact CD1-CD1 4.29Å; G309-Y311 PolarHBondContact O-N 2.59Å; Y311-L315 HydrophobicContact CD2-CD1 3.93Å; Y311-L315 HydrophobicContact CD2-CG 4.08Å; Y311-L315 HydrophobicContact CE1-CD1 4.19Å; Y311-L315 HydrophobicContact CE2-CD1 3.49Å; Y311-L315 VanDerWaalsContact CE2-CD1 3.49Å; Y311-L315 HydrophobicContact CE2-CD2 4.44Å; Y311-L315 HydrophobicContact CE2-CG 3.75Å; Y311-L315 HydrophobicContact CG-CD1 4.42Å; Y311-L315 VanDerWaalsContact O-CB 3.27Å; Y311-L315 WeakPolarHBondContact O-CB 3.34Å; Y311-L315 WeakPolarHBondContact O-CG 3.21Å; Y311-L315 PolarHBondContact O-N 3Å; Y311-W394 HydrophobicContact CE2-CH2 4.41Å; Y311-F398 AromaticContact CD2-CE2 4Å; Y311-F398 HydrophobicContact CD2-CE2 4Å; Y311-F398 AromaticContact CD2-CZ 3.99Å; Y311-F398 HydrophobicContact CD2-CZ 3.99Å; Y311-F398 HydrophobicContact CG-CE2 4.35Å; Y311-F398 HydrophobicContact CG-CZ 4.32Å; Y311-F685 AromaticContact CE2-CD2 3.85Å; Y311-F685 HydrophobicContact CE2-CD2 3.85Å; Y311-F685 VanDerWaalsContact OH-CA 3.3Å; Y311-F685 WeakPolarHBondContact OH-CA 3.48Å; Y311-F685 PolarHBondContact OH-N 3.01Å; Y311-I688 VanDerWaalsContact OH-CD1 3.24Å; Y311-I688 WeakPolarHBondContact OH-CD1 3.47Å; Y311-N706 VanDerWaalsContact CD1-ND2 3.29Å; Y311-N706 WeakPolarHBondContact CD1-ND2 3.39Å; Y311-N706 WeakPolarHBondContact CE1-ND2 3.42Å
312	T	94.4	Very high	94.8	Very high	15 Å²	15	25.6 Å²	25.6	9%	0.092	13%	0.129	C	C	.	.	H	α-helix	trans	-69.3	-42.2	176.1	-51.3	0	0	0	0	112.1	L308 G309 F310 L315 F316 L703 N706 I707 I710	L308-T312 WeakPolarHBondContact O-CB 3.49Å; L308-T312 PolarHBondContact O-N 3.45Å; L308-T312 PolarHBondContact O-OG1 3.48Å; G309-T312 WeakPolarHBondContact O-CB 3.36Å; G309-T312 PolarHBondContact O-N 3.35Å; G309-T312 VanDerWaalsContact O-N 3.12Å; F310-T312 VanDerWaalsContact C-N 3.3Å; F310-T312 PolarHBondContact O-N 3.18Å; T312-L315 PolarHBondContact O-N 3.26Å; T312-F316 PolarHBondContact O-N 3Å; T312-L703 HydrophobicContact CG2-CD1 3.88Å; T312-L703 WeakPolarHBondContact O-CD1 3.22Å; T312-N706 HydrophobicContact CG2-CB 3.82Å; T312-N706 WeakPolarHBondContact OG1-CB 3.23Å; T312-N706 PolarHBondContact OG1-ND2 3.38Å; T312-N706 VanDerWaalsContact OG1-ND2 3.09Å; T312-I707 HydrophobicContact CG2-CG1 3.94Å; T312-I710 HydrophobicContact CG2-CD1 4.43Å
313	E	92.8	Very high	94.9	Very high	119 Å²	119	28.6 Å²	28.6	56%	0.556	15%	0.147	S	C	*	.	H	α-helix	trans	-59.5	-49.5	173.7	-175.5	-174	170.8	0	0	111.1	G309 F310 L315 F316	G309-E313 PolarHBondContact O-N 2.94Å; F310-E313 PolarHBondContact O-N 3.5Å; E313-L315 VanDerWaalsContact C-N 3.34Å; E313-L315 PolarHBondContact O-N 3.47Å; E313-F316 WeakPolarHBondContact O-CB 3.43Å; E313-F316 PolarHBondContact O-N 3.33Å
314	M	94.7	Very high	94.9	Very high	16 Å²	16	33 Å²	33	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-35.4	177.7	-71	-65.6	-76.7	0	0	112.3	F310 F316 F317 W394 L397 F398 F401	F310-M314 HydrophobicContact CD1-CG 4.37Å; F310-M314 HydrophobicContact CD2-CG 4.39Å; F310-M314 HydrophobicContact CE1-CG 3.77Å; F310-M314 HydrophobicContact CE2-CG 3.79Å; F310-M314 HydrophobicContact CE2-SD 4.31Å; F310-M314 HydrophobicContact CZ-CG 3.43Å; F310-M314 VanDerWaalsContact CZ-CG 3.43Å; F310-M314 HydrophobicContact CZ-SD 4.06Å; F310-M314 WeakPolarHBondContact O-CB 3.23Å; F310-M314 WeakPolarHBondContact O-CG 3.42Å; F310-M314 PolarHBondContact O-N 3.4Å; M314-F316 PolarHBondContact O-N 2.91Å; M314-F317 PolarHBondContact O-N 3.06Å; M314-F317 HydrophobicContact SD-CD2 4.47Å; M314-W394 HydrophobicContact CB-CZ2 3.98Å; M314-W394 PolarHBondContact O-NE1 3.05Å; M314-L397 HydrophobicContact CE-CB 4.33Å; M314-F398 HydrophobicContact CB-CD2 3.97Å; M314-F398 HydrophobicContact CE-CB 4.24Å; M314-F398 HydrophobicContact CG-CD2 4.09Å; M314-F401 HydrophobicContact CE-CD2 3.87Å; M314-F401 HydrophobicContact SD-CD2 4.4Å
315	L	94.9	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-28.6	175.9	-96.3	170.3	0	0	0	113.3	Y311 T312 E313 F317 A318 A319 W394 I688 P699 A702 L703	Y311-L315 HydrophobicContact CD2-CD1 3.93Å; Y311-L315 HydrophobicContact CD2-CG 4.08Å; Y311-L315 HydrophobicContact CE1-CD1 4.19Å; Y311-L315 HydrophobicContact CE2-CD1 3.49Å; Y311-L315 VanDerWaalsContact CE2-CD1 3.49Å; Y311-L315 HydrophobicContact CE2-CD2 4.44Å; Y311-L315 HydrophobicContact CE2-CG 3.75Å; Y311-L315 HydrophobicContact CG-CD1 4.42Å; Y311-L315 VanDerWaalsContact O-CB 3.27Å; Y311-L315 WeakPolarHBondContact O-CB 3.34Å; Y311-L315 WeakPolarHBondContact O-CG 3.21Å; Y311-L315 PolarHBondContact O-N 3Å; T312-L315 PolarHBondContact O-N 3.26Å; E313-L315 VanDerWaalsContact C-N 3.34Å; E313-L315 PolarHBondContact O-N 3.47Å; L315-F317 VanDerWaalsContact C-N 3.33Å; L315-F317 PolarHBondContact O-N 2.92Å; L315-A318 PolarHBondContact O-N 3.3Å; L315-A319 WeakPolarHBondContact O-CB 3.29Å; L315-A319 PolarHBondContact O-N 2.94Å; L315-W394 HydrophobicContact CD2-CH2 4.41Å; L315-W394 HydrophobicContact CD2-CZ2 4.47Å; L315-W394 HydrophobicContact CG-CH2 4.49Å; L315-W394 HydrophobicContact CG-CZ2 4.38Å; L315-I688 HydrophobicContact CD2-CD1 4.32Å; L315-I688 HydrophobicContact CD2-CG2 4.42Å; L315-P699 HydrophobicContact CD2-CB 3.87Å; L315-A702 HydrophobicContact CD1-CB 3.93Å; L315-A702 HydrophobicContact CD2-CB 3.99Å; L315-L703 HydrophobicContact CB-CD1 4.23Å
316	F	94.6	Very high	94.6	Very high	112 Å²	112	36.1 Å²	36.1	49%	0.491	19%	0.185	S	C	.	.	H	α-helix	trans	-57.6	-45.4	177.1	176.9	-102.7	0	0	0	111.9	T312 E313 M314 A318 A319 V320 L703	T312-F316 PolarHBondContact O-N 3Å; E313-F316 WeakPolarHBondContact O-CB 3.43Å; E313-F316 PolarHBondContact O-N 3.33Å; M314-F316 PolarHBondContact O-N 2.91Å; F316-A318 VanDerWaalsContact C-N 3.35Å; F316-A318 PolarHBondContact O-N 3.38Å; F316-A319 PolarHBondContact O-N 3.39Å; F316-V320 HydrophobicContact CD1-CG2 4.46Å; F316-V320 HydrophobicContact CE1-CG2 4.06Å; F316-V320 HydrophobicContact CE2-CG2 4.15Å; F316-V320 HydrophobicContact CZ-CG2 3.89Å; F316-V320 WeakPolarHBondContact O-CG2 3.32Å; F316-V320 PolarHBondContact O-N 3.44Å; F316-L703 HydrophobicContact CB-CD1 4.38Å; F316-L703 HydrophobicContact CD2-CD2 4.11Å
317	F	94.8	Very high	94.5	Very high	109 Å²	109	38.9 Å²	38.9	48%	0.478	20%	0.201	S	C	.	.	H	α-helix	trans	-64.6	-38.4	178.1	-56.9	-74.9	0	0	0	112.4	M314 L315 M321	M314-F317 PolarHBondContact O-N 3.06Å; M314-F317 HydrophobicContact SD-CD2 4.47Å; L315-F317 VanDerWaalsContact C-N 3.33Å; L315-F317 PolarHBondContact O-N 2.92Å; F317-M321 WeakPolarHBondContact O-CG 3.37Å; F317-M321 PolarHBondContact O-N 2.87Å
318	A	95.6	Very high	94.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.7	-39.3	174.3	0	0	0	0	0	112.4	L315 F316 G322 M391 W394 P699	L315-A318 PolarHBondContact O-N 3.3Å; F316-A318 VanDerWaalsContact C-N 3.35Å; F316-A318 PolarHBondContact O-N 3.38Å; A318-G322 PolarHBondContact O-N 3.46Å; A318-M391 HydrophobicContact CB-CE 4.18Å; A318-M391 HydrophobicContact CB-SD 3.71Å; A318-W394 HydrophobicContact CB-CD2 4.14Å; A318-W394 HydrophobicContact CB-CG 4.38Å; A318-W394 HydrophobicContact CB-CZ2 4.27Å; A318-P699 HydrophobicContact CB-CB 3.85Å; A318-P699 HydrophobicContact CB-CG 4.08Å
319	A	96.1	Very high	94.1	Very high	6 Å²	6	43.9 Å²	43.9	5%	0.05	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-43.9	176.5	0	0	0	0	0	112	L315 F316 G322 V323 P699 V700 L703	L315-A319 WeakPolarHBondContact O-CB 3.29Å; L315-A319 PolarHBondContact O-N 2.94Å; F316-A319 PolarHBondContact O-N 3.39Å; A319-G322 PolarHBondContact O-N 2.85Å; A319-V323 WeakPolarHBondContact O-CG2 3.27Å; A319-V323 PolarHBondContact O-N 2.98Å; A319-P699 HydrophobicContact CB-CB 4.29Å; A319-V700 HydrophobicContact CB-CG2 4.06Å; A319-L703 HydrophobicContact CB-CB 4.48Å; A319-L703 HydrophobicContact CB-CD2 3.92Å
320	V	95.9	Very high	93.9	Very high	62 Å²	62	45.3 Å²	45.3	38%	0.376	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-48.4	175.7	170.3	0	0	0	0	111.1	F316 G322 V323 I324	F316-V320 HydrophobicContact CD1-CG2 4.46Å; F316-V320 HydrophobicContact CE1-CG2 4.06Å; F316-V320 HydrophobicContact CE2-CG2 4.15Å; F316-V320 HydrophobicContact CZ-CG2 3.89Å; F316-V320 WeakPolarHBondContact O-CG2 3.32Å; F316-V320 PolarHBondContact O-N 3.44Å; V320-G322 VanDerWaalsContact C-N 3.35Å; V320-G322 PolarHBondContact O-N 2.85Å; V320-V323 PolarHBondContact O-N 2.96Å; V320-I324 HydrophobicContact CG1-CD1 3.98Å; V320-I324 WeakPolarHBondContact O-CG1 3.49Å; V320-I324 PolarHBondContact O-N 3.4Å
321	M	94.7	Very high	93.7	Very high	50 Å²	50	51 Å²	51	25%	0.246	26%	0.261	C	S	.	.	H	α-helix	trans	-66.8	-35.2	178.3	-68.1	-54.1	-58.9	0	0	112.9	F317 I324 C325 F386 F387 F390	F317-M321 WeakPolarHBondContact O-CG 3.37Å; F317-M321 PolarHBondContact O-N 2.87Å; M321-I324 PolarHBondContact O-N 3.18Å; M321-I324 HydrophobicContact SD-CD1 4Å; M321-C325 WeakPolarHBondContact O-CB 3.26Å; M321-C325 PolarHBondContact O-N 3.13Å; M321-F386 HydrophobicContact CE-CE1 3.81Å; M321-F387 HydrophobicContact CB-CD2 4.11Å; M321-F387 HydrophobicContact CB-CE2 3.8Å; M321-F390 HydrophobicContact CB-CD1 4.07Å; M321-F390 HydrophobicContact CB-CE1 3.74Å; M321-F390 HydrophobicContact CB-CZ 4.09Å; M321-F390 HydrophobicContact CG-CD1 4.3Å; M321-F390 HydrophobicContact CG-CD2 4.44Å; M321-F390 HydrophobicContact CG-CE1 3.78Å; M321-F390 HydrophobicContact CG-CE2 3.92Å; M321-F390 HydrophobicContact CG-CZ 3.57Å
322	G	94.1	Very high	93.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-40.4	174.3	0	0	0	0	0	113	A318 A319 V320 C325 F326 F387 P696	A318-G322 PolarHBondContact O-N 3.46Å; A319-G322 PolarHBondContact O-N 2.85Å; V320-G322 VanDerWaalsContact C-N 3.35Å; V320-G322 PolarHBondContact O-N 2.85Å; G322-C325 PolarHBondContact O-N 2.96Å; G322-F326 WeakPolarHBondContact O-CB 3.19Å; G322-F326 PolarHBondContact O-N 3Å; G322-F387 VanDerWaalsContact N-CE2 3.32Å; G322-P696 VanDerWaalsContact CA-O 3.23Å; G322-P696 WeakPolarHBondContact CA-O 3.3Å
323	V	94.6	Very high	93	Very high	63 Å²	63	55.7 Å²	55.7	38%	0.382	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-46.9	173	170.9	0	0	0	0	111	A319 V320 C325 F326 T327 L697 V700	A319-V323 WeakPolarHBondContact O-CG2 3.27Å; A319-V323 PolarHBondContact O-N 2.98Å; V320-V323 PolarHBondContact O-N 2.96Å; V323-C325 VanDerWaalsContact C-N 3.3Å; V323-C325 PolarHBondContact O-N 3.41Å; V323-F326 PolarHBondContact O-N 3.24Å; V323-F326 VanDerWaalsContact O-N 3.17Å; V323-T327 WeakPolarHBondContact O-CB 3.36Å; V323-T327 PolarHBondContact O-N 2.98Å; V323-T327 PolarHBondContact O-OG1 3.3Å; V323-T327 VanDerWaalsContact O-OG1 3.13Å; V323-L697 HydrophobicContact CG2-CD2 4.11Å; V323-V700 HydrophobicContact CG2-CG2 3.69Å
324	I	94.1	Very high	92.5	Very high	96 Å²	96	52.7 Å²	52.7	49%	0.492	28%	0.283	S	S	.	.	H	α-helix	trans	-56.9	-45.2	177.4	-68.7	163.8	0	0	0	110.9	V320 M321 T327 Y328	V320-I324 HydrophobicContact CG1-CD1 3.98Å; V320-I324 WeakPolarHBondContact O-CG1 3.49Å; V320-I324 PolarHBondContact O-N 3.4Å; M321-I324 PolarHBondContact O-N 3.18Å; M321-I324 HydrophobicContact SD-CD1 4Å; I324-T327 PolarHBondContact O-N 2.96Å; I324-Y328 PolarHBondContact O-N 2.97Å
325	C	92.6	Very high	91.9	Very high	10 Å²	10	57.9 Å²	57.9	7%	0.068	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-41.5	177.2	-175	0	0	0	0	112.9	M321 G322 V323 Y328 G329 G383 F387 P696	M321-C325 WeakPolarHBondContact O-CB 3.26Å; M321-C325 PolarHBondContact O-N 3.13Å; G322-C325 PolarHBondContact O-N 2.96Å; V323-C325 VanDerWaalsContact C-N 3.3Å; V323-C325 PolarHBondContact O-N 3.41Å; C325-Y328 PolarHBondContact O-N 2.85Å; C325-G329 PolarHBondContact O-N 3.29Å; C325-G329 VanDerWaalsContact O-N 3.14Å; C325-G383 PolarHBondContact SG-O 3.45Å; C325-G383 VanDerWaalsContact SG-O 3.37Å; C325-F387 HydrophobicContact CB-CB 4.27Å; C325-F387 HydrophobicContact CB-CG 4.36Å; C325-P696 HydrophobicContact CB-CB 4.33Å
326	F	91.8	Very high	91.4	Very high	55 Å²	55	58.8 Å²	58.8	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-68.2	-41	175.7	-179.2	-99.5	0	0	0	112.5	G322 V323 Y328 G329 A330 L378 F379 L697	G322-F326 WeakPolarHBondContact O-CB 3.19Å; G322-F326 PolarHBondContact O-N 3Å; V323-F326 PolarHBondContact O-N 3.24Å; V323-F326 VanDerWaalsContact O-N 3.17Å; F326-Y328 VanDerWaalsContact C-N 3.32Å; F326-Y328 PolarHBondContact O-N 2.81Å; F326-G329 PolarHBondContact O-N 3.2Å; F326-A330 WeakPolarHBondContact O-CB 3.37Å; F326-A330 PolarHBondContact O-N 3.03Å; F326-L378 HydrophobicContact CD2-CD1 4.32Å; F326-L378 HydrophobicContact CD2-CG 4.38Å; F326-L378 HydrophobicContact CE2-CD1 3.84Å; F326-L378 HydrophobicContact CE2-CD2 3.75Å; F326-L378 HydrophobicContact CE2-CG 3.71Å; F326-L378 HydrophobicContact CZ-CD1 4.17Å; F326-L378 HydrophobicContact CZ-CD2 4.02Å; F326-L378 HydrophobicContact CZ-CG 4.32Å; F326-F379 HydrophobicContact CD2-CD1 4.42Å; F326-F379 AromaticContact CD2-CE1 3.96Å; F326-F379 HydrophobicContact CD2-CE1 3.96Å; F326-F379 HydrophobicContact CE2-CD1 4.43Å; F326-F379 AromaticContact CE2-CE1 3.65Å; F326-F379 HydrophobicContact CE2-CE1 3.65Å; F326-F379 HydrophobicContact CE2-CZ 4.13Å; F326-L697 HydrophobicContact CB-CD1 4.41Å; F326-L697 HydrophobicContact CB-CD2 3.74Å; F326-L697 HydrophobicContact CB-CG 3.99Å; F326-L697 HydrophobicContact CD1-CD1 3.91Å; F326-L697 HydrophobicContact CD1-CD2 4.22Å; F326-L697 HydrophobicContact CD1-CG 4.38Å; F326-L697 HydrophobicContact CD2-CD1 3.71Å; F326-L697 HydrophobicContact CD2-CG 3.98Å; F326-L697 HydrophobicContact CE1-CD1 4.05Å; F326-L697 HydrophobicContact CE2-CD1 3.86Å; F326-L697 HydrophobicContact CG-CD1 3.73Å; F326-L697 HydrophobicContact CG-CD2 3.92Å; F326-L697 HydrophobicContact CG-CG 3.86Å; F326-L697 HydrophobicContact CZ-CD1 4.02Å
327	T	92.2	Very high	91.1	Very high	66 Å²	66	58.1 Å²	58.1	41%	0.405	31%	0.313	S	S	.	.	H	α-helix	trans	-62.7	-38	175	-62.9	0	0	0	0	111.6	V323 I324 A330 L331	V323-T327 WeakPolarHBondContact O-CB 3.36Å; V323-T327 PolarHBondContact O-N 2.98Å; V323-T327 PolarHBondContact O-OG1 3.3Å; V323-T327 VanDerWaalsContact O-OG1 3.13Å; I324-T327 PolarHBondContact O-N 2.96Å; T327-A330 PolarHBondContact O-N 3.13Å; T327-L331 HydrophobicContact CG2-CD1 3.98Å; T327-L331 HydrophobicContact CG2-CG 4.32Å; T327-L331 WeakPolarHBondContact O-CB 3.25Å; T327-L331 VanDerWaalsContact O-CG 3.3Å; T327-L331 WeakPolarHBondContact O-CG 3.5Å; T327-L331 PolarHBondContact O-N 2.92Å
328	Y	92.2	Very high	90.6	Very high	105 Å²	105	53.5 Å²	53.5	41%	0.412	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-47	171.4	175.9	-104.7	0	0	0	112	I324 C325 F326 A330 L331 S332 E382	I324-Y328 PolarHBondContact O-N 2.97Å; C325-Y328 PolarHBondContact O-N 2.85Å; F326-Y328 VanDerWaalsContact C-N 3.32Å; F326-Y328 PolarHBondContact O-N 2.81Å; Y328-A330 VanDerWaalsContact C-N 3.31Å; Y328-A330 PolarHBondContact O-N 3.11Å; Y328-L331 PolarHBondContact O-N 3.11Å; Y328-S332 WeakPolarHBondContact O-CB 3.39Å; Y328-S332 PolarHBondContact O-N 3.1Å; Y328-E382 PolarHBondContact OH-OE2 2.86Å
329	G	90.3	Very high	90.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-38.9	174	0	0	0	0	0	113.5	C325 F326 Y333	C325-G329 PolarHBondContact O-N 3.29Å; C325-G329 VanDerWaalsContact O-N 3.14Å; F326-G329 PolarHBondContact O-N 3.2Å; G329-Y333 PolarHBondContact O-N 3.33Å; G329-Y333 VanDerWaalsContact O-N 3.1Å
330	A	90.8	Very high	90	Very high	48 Å²	48	57.3 Å²	57.3	40%	0.397	31%	0.311	S	S	.	.	H	α-helix	trans	-71.5	-37.5	177.7	0	0	0	0	0	113.3	F326 T327 Y328 Y333 L378	F326-A330 WeakPolarHBondContact O-CB 3.37Å; F326-A330 PolarHBondContact O-N 3.03Å; T327-A330 PolarHBondContact O-N 3.13Å; Y328-A330 VanDerWaalsContact C-N 3.31Å; Y328-A330 PolarHBondContact O-N 3.11Å; A330-Y333 WeakPolarHBondContact O-CB 3.21Å; A330-Y333 PolarHBondContact O-N 2.92Å; A330-L378 HydrophobicContact CB-CD1 4.02Å
331	L	91.2	Very high	89.8	Confident	138 Å²	138	55.3 Å²	55.3	72%	0.723	30%	0.298	S	S	*	.	H	α-helix	trans	-71.5	-35.3	174.6	-69.9	171.2	0	0	0	111.8	T327 Y328 Y333	T327-L331 HydrophobicContact CG2-CD1 3.98Å; T327-L331 HydrophobicContact CG2-CG 4.32Å; T327-L331 WeakPolarHBondContact O-CB 3.25Å; T327-L331 VanDerWaalsContact O-CG 3.3Å; T327-L331 WeakPolarHBondContact O-CG 3.5Å; T327-L331 PolarHBondContact O-N 2.92Å; Y328-L331 PolarHBondContact O-N 3.11Å; L331-Y333 PolarHBondContact O-N 3.24Å
332	S	88.2	Confident	89.5	Confident	27 Å²	27	53.6 Å²	53.6	19%	0.189	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-78.9	-4.4	175.2	-160	0	0	0	0	113.5	Y328 G334 N335	Y328-S332 WeakPolarHBondContact O-CB 3.39Å; Y328-S332 PolarHBondContact O-N 3.1Å; S332-G334 PolarHBondContact O-N 3.09Å; S332-N335 PolarHBondContact O-N 3.34Å
333	Y	86.3	Confident	89.3	Confident	87 Å²	87	55 Å²	55	34%	0.341	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-60.5	-20.2	-175.6	-169.6	-89.6	0	0	0	114.2	G329 A330 L331 W374 L378	G329-Y333 PolarHBondContact O-N 3.33Å; G329-Y333 VanDerWaalsContact O-N 3.1Å; A330-Y333 WeakPolarHBondContact O-CB 3.21Å; A330-Y333 PolarHBondContact O-N 2.92Å; L331-Y333 PolarHBondContact O-N 3.24Å; Y333-W374 HydrophobicContact CE1-CB 4.4Å; Y333-W374 HydrophobicContact CE2-CB 3.93Å; Y333-W374 WeakPolarHBondContact CE2-O 3.39Å; Y333-W374 WeakPolarHBondContact O-CZ3 3.24Å; Y333-W374 WeakPolarHBondContact OH-CB 3.18Å; Y333-L378 HydrophobicContact CD2-CB 4.23Å; Y333-L378 HydrophobicContact CD2-CD1 4.43Å; Y333-L378 HydrophobicContact CE2-CB 4.38Å
334	G	82.9	Confident	89.1	Confident	56 Å²	56	54.3 Å²	54.3	58%	0.577	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-85.1	-17.3	174.7	0	0	0	0	0	115.4	S332	S332-G334 PolarHBondContact O-N 3.09Å
335	N	82.5	Confident	88.9	Confident	126 Å²	126	53 Å²	53	67%	0.674	30%	0.297	S	S	*	.			trans	-108.4	-0.9	-158.6	-66.5	-16.2	0	0	0	114.8	S332 K337	S332-N335 PolarHBondContact O-N 3.34Å; N335-K337 PolarHBondContact O-N 2.68Å
336	N	84.3	Confident	88.8	Confident	18 Å²	18	58.6 Å²	58.6	10%	0.096	33%	0.326	C	S	.	.			trans	-80.3	105.3	-174.6	-178.4	31.6	0	0	0	113.7	S338 S339 E340 W374 H377	N336-S338 VanDerWaalsContact C-N 3.26Å; N336-S338 PolarHBondContact ND2-OG 2.68Å; N336-S338 PolarHBondContact O-N 3.05Å; N336-S338 PolarHBondContact OD1-N 3.29Å; N336-S338 PolarHBondContact OD1-OG 2.9Å; N336-S339 PolarHBondContact ND2-N 3.26Å; N336-S339 PolarHBondContact ND2-OG 2.94Å; N336-S339 PolarHBondContact O-N 2.8Å; N336-S339 VanDerWaalsContact O-N 3.16Å; N336-E340 PolarHBondContact O-N 3.03Å; N336-E340 VanDerWaalsContact O-N 3.1Å; N336-W374 HydrophobicContact CB-CZ3 3.86Å; N336-H377 VanDerWaalsContact CG-CD2 3.5Å
337	K	87.4	Confident	88.6	Confident	98 Å²	98	59.2 Å²	59.2	43%	0.426	33%	0.331	S	S	.	.	H	α-helix	trans	-56.5	-31.9	177	-71.2	-73.7	158.6	-158.3	0	114.4	N335 E340 E341 M776	N335-K337 PolarHBondContact O-N 2.68Å; K337-E340 VanDerWaalsContact CD-OE2 3.31Å; K337-E340 WeakPolarHBondContact CD-OE2 3.36Å; K337-E340 VanDerWaalsContact CE-OE2 3.24Å; K337-E340 WeakPolarHBondContact CE-OE2 3.37Å; K337-E340 IonicContact NZ-OE1 3.6Å; K337-E340 PolarHBondContact NZ-OE1 2.84Å; K337-E340 IonicContact NZ-OE2 3.9Å; K337-E340 PolarHBondContact NZ-OE2 2.93Å; K337-E340 PolarHBondContact O-N 3.17Å; K337-E341 WeakPolarHBondContact O-CG 3.28Å; K337-E341 PolarHBondContact O-N 3.35Å; K337-M776 HydrophobicContact CB-CB 4.24Å
338	S	85.7	Confident	88.2	Confident	12 Å²	12	56 Å²	56	8%	0.084	31%	0.312	C	S	.	.	H	α-helix	trans	-73.9	-28.5	-179.7	71	0	0	0	0	113.4	N336 I342	N336-S338 VanDerWaalsContact C-N 3.26Å; N336-S338 PolarHBondContact ND2-OG 2.68Å; N336-S338 PolarHBondContact O-N 3.05Å; N336-S338 PolarHBondContact OD1-N 3.29Å; N336-S338 PolarHBondContact OD1-OG 2.9Å; S338-I342 WeakPolarHBondContact O-CD1 3.39Å; S338-I342 WeakPolarHBondContact O-CG1 3.48Å; S338-I342 PolarHBondContact O-N 3.42Å
339	S	88.9	Confident	87.9	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-78.4	-37.1	171.8	-62.6	0	0	0	0	111.5	N336 E341 I342 C343 S373 W374	N336-S339 PolarHBondContact ND2-N 3.26Å; N336-S339 PolarHBondContact ND2-OG 2.94Å; N336-S339 PolarHBondContact O-N 2.8Å; N336-S339 VanDerWaalsContact O-N 3.16Å; S339-E341 PolarHBondContact O-N 3.45Å; S339-I342 PolarHBondContact O-N 3.31Å; S339-C343 WeakPolarHBondContact O-CB 3.43Å; S339-C343 PolarHBondContact O-N 3.02Å; S339-C343 PolarHBondContact O-SG 3.25Å; S339-S373 WeakPolarHBondContact CA-OG 3.44Å; S339-S373 WeakPolarHBondContact CB-OG 3.47Å; S339-S373 PolarHBondContact OG-O 3.38Å; S339-S373 PolarHBondContact OG-OG 2.82Å; S339-W374 VanDerWaalsContact CB-CD2 3.44Å; S339-W374 VanDerWaalsContact CB-CE3 3.46Å
340	E	90.3	Very high	87.8	Confident	85 Å²	85	55.5 Å²	55.5	40%	0.397	33%	0.325	S	S	.	.	H	α-helix	trans	-56.5	-47.2	172	-166.4	-178.7	151.6	0	0	111.8	N336 K337 I342 C343 D344	N336-E340 PolarHBondContact O-N 3.03Å; N336-E340 VanDerWaalsContact O-N 3.1Å; K337-E340 VanDerWaalsContact CD-OE2 3.31Å; K337-E340 WeakPolarHBondContact CD-OE2 3.36Å; K337-E340 VanDerWaalsContact CE-OE2 3.24Å; K337-E340 WeakPolarHBondContact CE-OE2 3.37Å; K337-E340 IonicContact NZ-OE1 3.6Å; K337-E340 PolarHBondContact NZ-OE1 2.84Å; K337-E340 IonicContact NZ-OE2 3.9Å; K337-E340 PolarHBondContact NZ-OE2 2.93Å; K337-E340 PolarHBondContact O-N 3.17Å; E340-I342 VanDerWaalsContact C-N 3.34Å; E340-I342 PolarHBondContact O-N 3.04Å; E340-C343 PolarHBondContact O-N 2.65Å; E340-D344 PolarHBondContact O-N 2.85Å
341	E	90.3	Very high	87.7	Confident	20 Å²	20	53.8 Å²	53.8	9%	0.093	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-35.1	175.5	-78.5	-177.8	-171.8	0	0	114.1	K337 S339 I347 G348 S777 G778 I780	K337-E341 WeakPolarHBondContact O-CG 3.28Å; K337-E341 PolarHBondContact O-N 3.35Å; S339-E341 PolarHBondContact O-N 3.45Å; E341-I347 HydrophobicContact CB-CG2 4.36Å; E341-I347 HydrophobicContact CG-CD1 4.22Å; E341-G348 PolarHBondContact O-N 3.49Å; E341-G348 VanDerWaalsContact O-N 3.08Å; E341-S777 VanDerWaalsContact OE1-CA 3.3Å; E341-S777 WeakPolarHBondContact OE1-CA 3.33Å; E341-G778 PolarHBondContact OE1-N 3.35Å; E341-I780 HydrophobicContact CB-CB 4.17Å; E341-I780 HydrophobicContact CB-CG1 3.73Å; E341-I780 VanDerWaalsContact OE2-CB 3.31Å; E341-I780 WeakPolarHBondContact OE2-CB 3.2Å; E341-I780 WeakPolarHBondContact OE2-CG1 3.31Å; E341-I780 PolarHBondContact OE2-N 3.49Å; E341-I780 VanDerWaalsContact OE2-N 3.1Å
342	I	88.9	Confident	87.6	Confident	14 Å²	14	48 Å²	48	7%	0.072	28%	0.278	C	S	.	.	H	α-helix	trans	-71.4	-37.4	176.2	-74.2	164.4	0	0	0	110.8	S338 S339 E340 L366 N367 S373 I780	S338-I342 WeakPolarHBondContact O-CD1 3.39Å; S338-I342 WeakPolarHBondContact O-CG1 3.48Å; S338-I342 PolarHBondContact O-N 3.42Å; S339-I342 PolarHBondContact O-N 3.31Å; E340-I342 VanDerWaalsContact C-N 3.34Å; E340-I342 PolarHBondContact O-N 3.04Å; I342-L366 HydrophobicContact CG1-CD2 4.15Å; I342-L366 HydrophobicContact CG1-CG 4.3Å; I342-L366 HydrophobicContact CG2-CG 4.39Å; I342-N367 VanDerWaalsContact O-CA 3.32Å; I342-N367 WeakPolarHBondContact O-CA 3.3Å; I342-S373 WeakPolarHBondContact CD1-OG 3.46Å; I342-I780 HydrophobicContact CD1-CD1 3.68Å; I342-I780 HydrophobicContact CD1-CG1 4.41Å; I342-I780 HydrophobicContact CG1-CD1 3.82Å; I342-I780 HydrophobicContact CG1-CG1 4.03Å; I342-I780 HydrophobicContact CG1-CG2 4.27Å
343	C	89.8	Confident	87.6	Confident	30 Å²	30	47.1 Å²	47.1	20%	0.203	27%	0.271	C	S	.	.	H	α-helix	trans	-83.4	-20.6	-177	-65.2	0	0	0	0	114.4	S339 E340 A345 N367 C370 W374	S339-C343 WeakPolarHBondContact O-CB 3.43Å; S339-C343 PolarHBondContact O-N 3.02Å; S339-C343 PolarHBondContact O-SG 3.25Å; E340-C343 PolarHBondContact O-N 2.65Å; C343-A345 PolarHBondContact O-N 2.86Å; C343-N367 PolarHBondContact O-ND2 3.1Å; C343-C370 HydrophobicContact CB-CB 3.96Å; C343-C370 WeakPolarHBondContact CB-SG 3.47Å; C343-C370 WeakPolarHBondContact SG-CA 3.25Å; C343-C370 WeakPolarHBondContact SG-CB 3.36Å; C343-C370 CovalentContact SG-SG 2.03Å; C343-C370 PolarHBondContact SG-SG 3.32Å; C343-W374 VanDerWaalsContact SG-CD1 3.56Å; C343-W374 PolarHBondContact SG-NE1 3.28Å
344	D	91.6	Very high	87.7	Confident	48 Å²	48	43.3 Å²	43.3	26%	0.257	26%	0.258	S	S	.	.			trans	-61.7	134.5	175.9	174.8	28.1	0	0	0	111.6	E340 N346 I347 G348 G349 N367	E340-D344 PolarHBondContact O-N 2.85Å; D344-N346 VanDerWaalsContact C-N 3.27Å; D344-N346 PolarHBondContact O-N 3.4Å; D344-N346 PolarHBondContact OD1-N 2.89Å; D344-N346 PolarHBondContact OD1-ND2 3.38Å; D344-N346 WeakPolarHBondContact OD2-CB 3.06Å; D344-N346 PolarHBondContact OD2-N 3.23Å; D344-I347 HydrophobicContact CB-CB 4.32Å; D344-I347 VanDerWaalsContact OD2-CG1 3.26Å; D344-I347 WeakPolarHBondContact OD2-CG1 3.37Å; D344-I347 PolarHBondContact OD2-N 3.17Å; D344-G348 CarbonylContact O-C 3.46Å; D344-G348 WeakPolarHBondContact O-CA 3.35Å; D344-G348 PolarHBondContact O-N 3.13Å; D344-G349 PolarHBondContact O-N 3.12Å; D344-N367 PolarHBondContact O-ND2 3.07Å
345	A	90	Very high	87.7	Confident	70 Å²	70	40.8 Å²	40.8	58%	0.579	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.6	176.4	0	0	0	0	0	112.4	C343 G349	C343-A345 PolarHBondContact O-N 2.86Å; A345-G349 CarbonylContact O-C 3.54Å; A345-G349 WeakPolarHBondContact O-CA 3.5Å
346	N	89.4	Confident	87.5	Confident	127 Å²	127	37.2 Å²	37.2	68%	0.679	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-45.4	179.8	-50.5	-78.2	0	0	0	111.4	D344 S350	D344-N346 VanDerWaalsContact C-N 3.27Å; D344-N346 PolarHBondContact O-N 3.4Å; D344-N346 PolarHBondContact OD1-N 2.89Å; D344-N346 PolarHBondContact OD1-ND2 3.38Å; D344-N346 WeakPolarHBondContact OD2-CB 3.06Å; D344-N346 PolarHBondContact OD2-N 3.23Å; N346-S350 WeakPolarHBondContact O-CB 3.39Å; N346-S350 PolarHBondContact O-OG 2.88Å
347	I	87.8	Confident	87.2	Confident	67 Å²	67	37.3 Å²	37.3	34%	0.344	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-80.9	177.5	-59.2	164.7	0	0	0	110.7	E341 D344 G349 S350 I351	E341-I347 HydrophobicContact CB-CG2 4.36Å; E341-I347 HydrophobicContact CG-CD1 4.22Å; D344-I347 HydrophobicContact CB-CB 4.32Å; D344-I347 VanDerWaalsContact OD2-CG1 3.26Å; D344-I347 WeakPolarHBondContact OD2-CG1 3.37Å; D344-I347 PolarHBondContact OD2-N 3.17Å; I347-G349 PolarHBondContact O-N 3.39Å; I347-G349 VanDerWaalsContact O-N 3.15Å; I347-S350 PolarHBondContact O-N 3.41Å; I347-S350 PolarHBondContact O-OG 3.08Å; I347-I351 HydrophobicContact CG2-CD1 4.26Å; I347-I351 PolarHBondContact O-N 3.04Å
348	G	84.3	Confident	86.9	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.4	-178.6	0	0	0	0	0	114.7	E341 D344 L366 N367	E341-G348 PolarHBondContact O-N 3.49Å; E341-G348 VanDerWaalsContact O-N 3.08Å; D344-G348 CarbonylContact O-C 3.46Å; D344-G348 WeakPolarHBondContact O-CA 3.35Å; D344-G348 PolarHBondContact O-N 3.13Å; G348-L366 WeakPolarHBondContact O-CB 3.49Å; G348-L366 PolarHBondContact O-N 3Å; G348-N367 PolarHBondContact O-N 3.25Å
349	G	85.1	Confident	86.4	Confident	9 Å²	9	37.3 Å²	37.3	9%	0.093	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-14.7	175.2	0	0	0	0	0	115.5	D344 A345 I347 K365	D344-G349 PolarHBondContact O-N 3.12Å; A345-G349 CarbonylContact O-C 3.54Å; A345-G349 WeakPolarHBondContact O-CA 3.5Å; I347-G349 PolarHBondContact O-N 3.39Å; I347-G349 VanDerWaalsContact O-N 3.15Å; G349-K365 WeakPolarHBondContact O-CD 3.25Å; G349-K365 WeakPolarHBondContact O-CE 3.35Å; G349-K365 PolarHBondContact O-NZ 3.37Å
350	S	87.9	Confident	85.6	Confident	84 Å²	84	40.9 Å²	40.9	59%	0.587	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-23.7	173.6	67.6	0	0	0	0	113.4	N346 I347 L352	N346-S350 WeakPolarHBondContact O-CB 3.39Å; N346-S350 PolarHBondContact O-OG 2.88Å; I347-S350 PolarHBondContact O-N 3.41Å; I347-S350 PolarHBondContact O-OG 3.08Å; S350-L352 PolarHBondContact O-N 3.37Å; S350-L352 VanDerWaalsContact O-N 3.16Å
351	I	89.1	Confident	85	Confident	13 Å²	13	37.3 Å²	37.3	7%	0.067	21%	0.213	C	C	.	.			trans	-70.3	109.3	178	-64.6	167.5	0	0	0	110.8	I347 M353 L366 I780 L784 R810	I347-I351 HydrophobicContact CG2-CD1 4.26Å; I347-I351 PolarHBondContact O-N 3.04Å; I351-M353 HydrophobicContact CG2-CG 4.24Å; I351-M353 HydrophobicContact CG2-SD 3.88Å; I351-L366 HydrophobicContact CB-CB 4.16Å; I351-L366 HydrophobicContact CB-CD2 4.44Å; I351-L366 HydrophobicContact CD1-CD2 4.04Å; I351-L366 HydrophobicContact CG2-CB 4.17Å; I351-L366 HydrophobicContact CG2-CD2 4.27Å; I351-L366 PolarHBondContact O-N 2.88Å; I351-L366 VanDerWaalsContact O-N 3.17Å; I351-I780 HydrophobicContact CD1-CG2 4.23Å; I351-L784 HydrophobicContact CD1-CD1 4.46Å; I351-L784 HydrophobicContact CG2-CD1 4.05Å; I351-R810 HydrophobicContact CG2-CB 4.27Å; I351-R810 HydrophobicContact CG2-CG 4.3Å
352	L	89.1	Confident	84.5	Confident	15 Å²	15	39.6 Å²	39.6	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.3	170.2	-169.9	73.5	0	0	0	110.5	S350 F363 W802 R810	S350-L352 PolarHBondContact O-N 3.37Å; S350-L352 VanDerWaalsContact O-N 3.16Å; L352-F363 HydrophobicContact CD1-CB 3.93Å; L352-F363 HydrophobicContact CD2-CB 4.44Å; L352-F363 HydrophobicContact CD2-CD1 4.41Å; L352-F363 HydrophobicContact CG-CB 4.28Å; L352-W802 HydrophobicContact CD1-CH2 4.4Å; L352-W802 HydrophobicContact CD1-CZ2 3.73Å; L352-W802 HydrophobicContact CD2-CZ2 4.48Å; L352-R810 PolarHBondContact O-N 3.1Å
353	M	87.9	Confident	84.3	Confident	9 Å²	9	39.7 Å²	39.7	4%	0.044	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	146.4	-176.3	-65.4	-70.8	-68.8	0	0	111.7	I351 W364 L366 L784 R810	I351-M353 HydrophobicContact CG2-CG 4.24Å; I351-M353 HydrophobicContact CG2-SD 3.88Å; M353-W364 HydrophobicContact CB-CD2 3.73Å; M353-W364 HydrophobicContact CB-CE3 4.08Å; M353-W364 HydrophobicContact CB-CG 4.35Å; M353-W364 HydrophobicContact CB-CH2 3.58Å; M353-W364 HydrophobicContact CB-CZ2 3.26Å; M353-W364 HydrophobicContact CB-CZ3 4.02Å; M353-W364 HydrophobicContact CE-CH2 3.7Å; M353-W364 HydrophobicContact CE-CZ2 3.81Å; M353-W364 HydrophobicContact CG-CD2 4.43Å; M353-W364 HydrophobicContact CG-CE3 4.27Å; M353-W364 HydrophobicContact CG-CH2 3.48Å; M353-W364 VanDerWaalsContact CG-CH2 3.48Å; M353-W364 HydrophobicContact CG-CZ2 3.73Å; M353-W364 HydrophobicContact CG-CZ3 3.82Å; M353-W364 PolarHBondContact N-O 3.38Å; M353-W364 PolarHBondContact O-N 2.92Å; M353-W364 HydrophobicContact SD-CH2 4.41Å; M353-L366 HydrophobicContact CG-CB 4.31Å; M353-L366 HydrophobicContact CG-CD1 4.44Å; M353-L784 HydrophobicContact CE-CD2 3.91Å; M353-L784 HydrophobicContact SD-CD1 4.01Å; M353-L784 HydrophobicContact SD-CD2 4.25Å; M353-R810 WeakPolarHBondContact CA-O 3.35Å; M353-R810 HydrophobicContact SD-CB 3.68Å
354	C	87.8	Confident	84	Confident	8 Å²	8	40.2 Å²	40.2	5%	0.054	23%	0.228	C	C	.	.			trans	-68.9	152.3	-178.7	-53.2	0	0	0	0	112	W364 P588 C809 R810	C354-W364 PolarHBondContact O-NE1 3.43Å; C354-P588 HydrophobicContact CB-CG 4.45Å; C354-C809 VanDerWaalsContact CA-SG 3.59Å; C354-C809 HydrophobicContact CB-CB 4.04Å; C354-C809 WeakPolarHBondContact CB-SG 3.34Å; C354-C809 WeakPolarHBondContact SG-CB 3.46Å; C354-C809 CovalentContact SG-SG 2.05Å; C354-C809 PolarHBondContact SG-SG 2.91Å; C354-R810 PolarHBondContact N-O 2.91Å; C354-R810 PolarHBondContact SG-O 3.41Å
355	P	84.3	Confident	83.8	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.013	24%	0.239	C	C	.	.			trans	-73.4	134.4	-172	28.6	-35.6	0	0	0	113.1	C357 C361 F363 R602	P355-C357 VanDerWaalsContact C-N 3.26Å; P355-C357 PolarHBondContact O-N 3.12Å; P355-C361 HydrophobicContact CB-CB 4.13Å; P355-C361 VanDerWaalsContact CB-O 3.24Å; P355-C361 WeakPolarHBondContact CB-O 3.34Å; P355-F363 HydrophobicContact CG-CE1 4.49Å; P355-R602 PolarHBondContact O-NH1 3.36Å; P355-R602 PolarHBondContact O-NH2 2.92Å
356	L	78.3	Confident	83.6	Confident	52 Å²	52	40.3 Å²	40.3	27%	0.272	21%	0.213	S	C	.	.	S	Bend	trans	-74.5	-5.8	-174.8	-53.8	178.8	0	0	0	114.8	W364 R602 E605	L356-W364 HydrophobicContact CD2-CZ2 4.16Å; L356-R602 VanDerWaalsContact C-NH2 3.26Å; L356-R602 PolarHBondContact O-NH2 3.37Å; L356-E605 VanDerWaalsContact CD2-OE2 3.31Å; L356-E605 WeakPolarHBondContact CD2-OE2 3.46Å
357	C	78.1	Confident	83.5	Confident	19 Å²	19	36.7 Å²	36.7	13%	0.128	19%	0.193	C	C	.	.	S	Bend	trans	-150.5	161.1	173.5	77.3	0	0	0	0	112	P355 C361 Y489 R602	P355-C357 VanDerWaalsContact C-N 3.26Å; P355-C357 PolarHBondContact O-N 3.12Å; C357-C361 HydrophobicContact CB-CB 4.02Å; C357-C361 WeakPolarHBondContact CB-SG 3.18Å; C357-C361 PolarHBondContact N-SG 3.12Å; C357-C361 VanDerWaalsContact N-SG 3.44Å; C357-C361 WeakPolarHBondContact SG-CB 3.37Å; C357-C361 PolarHBondContact SG-N 3.44Å; C357-C361 VanDerWaalsContact SG-N 3.4Å; C357-C361 CovalentContact SG-SG 2.04Å; C357-C361 PolarHBondContact SG-SG 3.44Å; C357-Y489 HydrophobicContact CB-CE1 4.3Å; C357-R602 VanDerWaalsContact C-NH1 3.29Å
358	D	80.8	Confident	83.3	Confident	36 Å²	36	37.9 Å²	37.9	19%	0.193	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	140.1	-176.7	-55.4	-15.8	0	0	0	110.7	K360 Y593 R602	D358-K360 PolarHBondContact O-N 2.99Å; D358-Y593 WeakPolarHBondContact OD2-CE1 3.3Å; D358-Y593 PolarHBondContact OD2-OH 3.24Å; D358-Y593 VanDerWaalsContact OD2-OH 3.06Å; D358-R602 WeakPolarHBondContact OD1-CD 3.4Å; D358-R602 IonicContact OD1-CZ 2.83Å; D358-R602 IonicContact OD1-NE 3.63Å; D358-R602 IonicContact OD1-NH1 2.63Å; D358-R602 PolarHBondContact OD1-NH1 3.45Å
359	K	74.9	Confident	83.2	Confident	75 Å²	75	38.4 Å²	38.4	33%	0.326	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-40.2	177.2	-56	-156.2	-179.1	-174.1	0	118.7	D795 M797 P798 E799	K359-D795 VanDerWaalsContact CE-CA 3.44Å; K359-D795 WeakPolarHBondContact CE-O 3.31Å; K359-D795 WeakPolarHBondContact CE-OD1 3.27Å; K359-D795 WeakPolarHBondContact CG-O 3.24Å; K359-D795 IonicContact NZ-OD1 3.47Å; K359-D795 PolarHBondContact NZ-OD1 3.29Å; K359-M797 WeakPolarHBondContact CA-O 3.37Å; K359-P798 WeakPolarHBondContact O-CA 3.42Å; K359-E799 HydrophobicContact CB-CG 4.1Å; K359-E799 PolarHBondContact O-N 3.32Å
360	K	72.6	Confident	83.3	Confident	75 Å²	75	39.5 Å²	39.5	33%	0.326	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-15.4	-170.8	-63.1	-175.1	-177.6	-175.2	0	115.2	D358 A490 A493 S494	D358-K360 PolarHBondContact O-N 2.99Å; K360-A490 WeakPolarHBondContact CD-O 3.43Å; K360-A490 PolarHBondContact NZ-O 3.32Å; K360-A493 HydrophobicContact CB-CB 4.23Å; K360-S494 PolarHBondContact NZ-OG 2.94Å
361	C	76.6	Confident	83.2	Confident	10 Å²	10	42.5 Å²	42.5	7%	0.068	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-95.5	126.8	179.3	-71.4	0	0	0	0	111.1	P355 C357	P355-C361 HydrophobicContact CB-CB 4.13Å; P355-C361 VanDerWaalsContact CB-O 3.24Å; P355-C361 WeakPolarHBondContact CB-O 3.34Å; C357-C361 HydrophobicContact CB-CB 4.02Å; C357-C361 WeakPolarHBondContact CB-SG 3.18Å; C357-C361 PolarHBondContact N-SG 3.12Å; C357-C361 VanDerWaalsContact N-SG 3.44Å; C357-C361 WeakPolarHBondContact SG-CB 3.37Å; C357-C361 PolarHBondContact SG-N 3.44Å; C357-C361 VanDerWaalsContact SG-N 3.4Å; C357-C361 CovalentContact SG-SG 2.04Å; C357-C361 PolarHBondContact SG-SG 3.44Å
362	P	80.7	Confident	82.8	Confident	68 Å²	68	43 Å²	43	44%	0.442	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-73.7	167.8	174.1	32.3	-36.1	0	0	0	112
363	F	83.4	Confident	82.6	Confident	16 Å²	16	42.7 Å²	42.7	7%	0.07	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-65.8	149.4	162.1	-62.5	-89.2	0	0	0	110.1	L352 P355 I789 I792 P798 W802 C809	L352-F363 HydrophobicContact CD1-CB 3.93Å; L352-F363 HydrophobicContact CD2-CB 4.44Å; L352-F363 HydrophobicContact CD2-CD1 4.41Å; L352-F363 HydrophobicContact CG-CB 4.28Å; P355-F363 HydrophobicContact CG-CE1 4.49Å; F363-I789 HydrophobicContact CE1-CD1 4Å; F363-I789 HydrophobicContact CE1-CG1 4.15Å; F363-I789 HydrophobicContact CZ-CD1 4.13Å; F363-I789 HydrophobicContact CZ-CG1 4.29Å; F363-I789 HydrophobicContact CZ-CG2 3.94Å; F363-I792 HydrophobicContact CZ-CD1 4.45Å; F363-P798 HydrophobicContact CD2-CG 4.09Å; F363-P798 HydrophobicContact CE2-CG 3.58Å; F363-P798 HydrophobicContact CZ-CG 4.28Å; F363-W802 HydrophobicContact CB-CD2 4.47Å; F363-W802 HydrophobicContact CD2-CB 3.88Å; F363-W802 HydrophobicContact CD2-CD2 4.31Å; F363-W802 AromaticContact CD2-CG 3.92Å; F363-W802 HydrophobicContact CD2-CG 3.92Å; F363-W802 HydrophobicContact CE2-CB 4.06Å; F363-W802 HydrophobicContact CE2-CG 4.42Å; F363-C809 HydrophobicContact CD1-CB 4.08Å; F363-C809 HydrophobicContact CE1-CB 3.96Å
364	W	83.9	Confident	82.6	Confident	42 Å²	42	44.3 Å²	44.3	16%	0.159	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	163.1	-174.8	58.5	-79.9	0	0	0	111.2	M353 C354 L356 L366 T369 P608	M353-W364 HydrophobicContact CB-CD2 3.73Å; M353-W364 HydrophobicContact CB-CE3 4.08Å; M353-W364 HydrophobicContact CB-CG 4.35Å; M353-W364 HydrophobicContact CB-CH2 3.58Å; M353-W364 HydrophobicContact CB-CZ2 3.26Å; M353-W364 HydrophobicContact CB-CZ3 4.02Å; M353-W364 HydrophobicContact CE-CH2 3.7Å; M353-W364 HydrophobicContact CE-CZ2 3.81Å; M353-W364 HydrophobicContact CG-CD2 4.43Å; M353-W364 HydrophobicContact CG-CE3 4.27Å; M353-W364 HydrophobicContact CG-CH2 3.48Å; M353-W364 VanDerWaalsContact CG-CH2 3.48Å; M353-W364 HydrophobicContact CG-CZ2 3.73Å; M353-W364 HydrophobicContact CG-CZ3 3.82Å; M353-W364 PolarHBondContact N-O 3.38Å; M353-W364 PolarHBondContact O-N 2.92Å; M353-W364 HydrophobicContact SD-CH2 4.41Å; C354-W364 PolarHBondContact O-NE1 3.43Å; L356-W364 HydrophobicContact CD2-CZ2 4.16Å; W364-L366 HydrophobicContact CH2-CD1 4.29Å; W364-L366 HydrophobicContact CZ3-CD1 4.2Å; W364-T369 HydrophobicContact CZ3-CG2 4.26Å; W364-P608 HydrophobicContact CH2-CB 3.8Å; W364-P608 HydrophobicContact CH2-CG 3.08Å; W364-P608 HydrophobicContact CZ2-CG 3.72Å; W364-P608 HydrophobicContact CZ3-CB 4.3Å; W364-P608 HydrophobicContact CZ3-CG 3.65Å
365	K	87.1	Confident	82.4	Confident	113 Å²	113	46.6 Å²	46.6	49%	0.491	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.5	-177.5	-73.1	-172.3	165.3	-151	0	111	G349 N367 S368	G349-K365 WeakPolarHBondContact O-CD 3.25Å; G349-K365 WeakPolarHBondContact O-CE 3.35Å; G349-K365 PolarHBondContact O-NZ 3.37Å; K365-N367 PolarHBondContact O-N 2.84Å; K365-N367 VanDerWaalsContact O-N 3.15Å; K365-S368 PolarHBondContact O-N 3.07Å; K365-S368 PolarHBondContact O-OG 2.89Å
366	L	86.9	Confident	82.5	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.037	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-58.6	-33.3	-174.1	-171.6	62.4	0	0	0	114.1	I342 G348 I351 M353 W364 S368 T369 P608 I780 L784	I342-L366 HydrophobicContact CG1-CD2 4.15Å; I342-L366 HydrophobicContact CG1-CG 4.3Å; I342-L366 HydrophobicContact CG2-CG 4.39Å; G348-L366 WeakPolarHBondContact O-CB 3.49Å; G348-L366 PolarHBondContact O-N 3Å; I351-L366 HydrophobicContact CB-CB 4.16Å; I351-L366 HydrophobicContact CB-CD2 4.44Å; I351-L366 HydrophobicContact CD1-CD2 4.04Å; I351-L366 HydrophobicContact CG2-CB 4.17Å; I351-L366 HydrophobicContact CG2-CD2 4.27Å; I351-L366 PolarHBondContact O-N 2.88Å; I351-L366 VanDerWaalsContact O-N 3.17Å; M353-L366 HydrophobicContact CG-CB 4.31Å; M353-L366 HydrophobicContact CG-CD1 4.44Å; W364-L366 HydrophobicContact CH2-CD1 4.29Å; W364-L366 HydrophobicContact CZ3-CD1 4.2Å; L366-S368 PolarHBondContact O-N 3.07Å; L366-S368 VanDerWaalsContact O-N 3.11Å; L366-T369 PolarHBondContact O-N 2.76Å; L366-T369 PolarHBondContact O-OG1 3.41Å; L366-P608 HydrophobicContact CD1-CB 4.41Å; L366-I780 HydrophobicContact CD2-CG2 3.46Å; L366-I780 VanDerWaalsContact CD2-CG2 3.46Å; L366-L784 HydrophobicContact CD2-CD1 3.89Å
367	N	87.1	Confident	82.8	Confident	50 Å²	50	45.5 Å²	45.5	27%	0.267	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-57.1	-25.4	177.4	-159.3	-43.7	0	0	0	113.7	I342 C343 D344 G348 K365 T369 C370	I342-N367 VanDerWaalsContact O-CA 3.32Å; I342-N367 WeakPolarHBondContact O-CA 3.3Å; C343-N367 PolarHBondContact O-ND2 3.1Å; D344-N367 PolarHBondContact O-ND2 3.07Å; G348-N367 PolarHBondContact O-N 3.25Å; K365-N367 PolarHBondContact O-N 2.84Å; K365-N367 VanDerWaalsContact O-N 3.15Å; N367-T369 PolarHBondContact O-N 2.76Å; N367-C370 VanDerWaalsContact O-CB 3.23Å; N367-C370 WeakPolarHBondContact O-CB 3.45Å; N367-C370 PolarHBondContact O-N 3.36Å
368	S	83.4	Confident	83.3	Confident	92 Å²	92	46 Å²	46	64%	0.643	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-62.2	-15.1	175.8	68.9	0	0	0	0	113.9	K365 L366	K365-S368 PolarHBondContact O-N 3.07Å; K365-S368 PolarHBondContact O-OG 2.89Å; L366-S368 PolarHBondContact O-N 3.07Å; L366-S368 VanDerWaalsContact O-N 3.11Å
369	T	83.3	Confident	83.4	Confident	12 Å²	12	45.1 Å²	45.1	7%	0.074	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-100.4	12.2	174.3	60.7	0	0	0	0	114.8	W364 L366 N367 F371 S372 S373 P608	W364-T369 HydrophobicContact CZ3-CG2 4.26Å; L366-T369 PolarHBondContact O-N 2.76Å; L366-T369 PolarHBondContact O-OG1 3.41Å; N367-T369 PolarHBondContact O-N 2.76Å; T369-F371 PolarHBondContact O-N 3.47Å; T369-S372 WeakPolarHBondContact O-CB 3.29Å; T369-S372 PolarHBondContact O-N 3.23Å; T369-S372 VanDerWaalsContact O-N 3.11Å; T369-S373 PolarHBondContact O-N 3.39Å; T369-P608 HydrophobicContact CG2-CB 3.89Å; T369-P608 HydrophobicContact CG2-CG 3.74Å
370	C	86.9	Confident	84	Confident	32 Å²	32	41.9 Å²	41.9	22%	0.216	22%	0.215	C	C	.	.	H	α-helix	trans	-49.6	-49.6	177.2	171.4	0	0	0	0	113.5	C343 N367 S373 W374	C343-C370 HydrophobicContact CB-CB 3.96Å; C343-C370 WeakPolarHBondContact CB-SG 3.47Å; C343-C370 WeakPolarHBondContact SG-CA 3.25Å; C343-C370 WeakPolarHBondContact SG-CB 3.36Å; C343-C370 CovalentContact SG-SG 2.03Å; C343-C370 PolarHBondContact SG-SG 3.32Å; N367-C370 VanDerWaalsContact O-CB 3.23Å; N367-C370 WeakPolarHBondContact O-CB 3.45Å; N367-C370 PolarHBondContact O-N 3.36Å; C370-S373 PolarHBondContact O-N 3.18Å; C370-W374 VanDerWaalsContact O-CD1 3.3Å; C370-W374 PolarHBondContact O-N 3.43Å
371	F	84.3	Confident	84.7	Confident	147 Å²	147	38.4 Å²	38.4	65%	0.645	20%	0.2	S	C	*	.	H	α-helix	trans	-64.5	-42	177.6	-176.7	-93.5	0	0	0	112.7	T369 S373 W374 Q375	T369-F371 PolarHBondContact O-N 3.47Å; F371-S373 VanDerWaalsContact C-N 3.33Å; F371-S373 PolarHBondContact O-N 3Å; F371-W374 PolarHBondContact O-N 3.42Å; F371-Q375 WeakPolarHBondContact O-CB 3.23Å; F371-Q375 PolarHBondContact O-N 2.9Å
372	S	82.1	Confident	85.1	Confident	23 Å²	23	43.5 Å²	43.5	16%	0.161	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-45.2	174.4	-176.8	0	0	0	0	110.6	T369 W374 Q375 S376 D607 I613	T369-S372 WeakPolarHBondContact O-CB 3.29Å; T369-S372 PolarHBondContact O-N 3.23Å; T369-S372 VanDerWaalsContact O-N 3.11Å; S372-W374 PolarHBondContact O-N 3.45Å; S372-Q375 PolarHBondContact O-N 3.43Å; S372-S376 WeakPolarHBondContact O-CB 3.38Å; S372-S376 PolarHBondContact O-N 3.3Å; S372-D607 PolarHBondContact OG-OD1 2.9Å; S372-I613 WeakPolarHBondContact O-CD1 3.3Å
373	S	84.8	Confident	85.5	Confident	9 Å²	9	41.1 Å²	41.1	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-59.5	-49.1	178.3	-175.3	0	0	0	0	113.3	S339 I342 T369 C370 F371 S376 H377	S339-S373 WeakPolarHBondContact CA-OG 3.44Å; S339-S373 WeakPolarHBondContact CB-OG 3.47Å; S339-S373 PolarHBondContact OG-O 3.38Å; S339-S373 PolarHBondContact OG-OG 2.82Å; I342-S373 WeakPolarHBondContact CD1-OG 3.46Å; T369-S373 PolarHBondContact O-N 3.39Å; C370-S373 PolarHBondContact O-N 3.18Å; F371-S373 VanDerWaalsContact C-N 3.33Å; F371-S373 PolarHBondContact O-N 3Å; S373-S376 VanDerWaalsContact O-CB 3.26Å; S373-S376 WeakPolarHBondContact O-CB 3.34Å; S373-S376 PolarHBondContact O-N 3.33Å; S373-S376 VanDerWaalsContact O-N 3.17Å; S373-H377 PolarHBondContact O-N 2.71Å
374	W	86.6	Confident	85.8	Confident	43 Å²	43	40.3 Å²	40.3	16%	0.163	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-41.4	178.1	-74.1	117.5	0	0	0	112.5	Y333 N336 S339 C343 C370 F371 S372 S376 H377 L378	Y333-W374 HydrophobicContact CE1-CB 4.4Å; Y333-W374 HydrophobicContact CE2-CB 3.93Å; Y333-W374 WeakPolarHBondContact CE2-O 3.39Å; Y333-W374 WeakPolarHBondContact O-CZ3 3.24Å; Y333-W374 WeakPolarHBondContact OH-CB 3.18Å; N336-W374 HydrophobicContact CB-CZ3 3.86Å; S339-W374 VanDerWaalsContact CB-CD2 3.44Å; S339-W374 VanDerWaalsContact CB-CE3 3.46Å; C343-W374 VanDerWaalsContact SG-CD1 3.56Å; C343-W374 PolarHBondContact SG-NE1 3.28Å; C370-W374 VanDerWaalsContact O-CD1 3.3Å; C370-W374 PolarHBondContact O-N 3.43Å; F371-W374 PolarHBondContact O-N 3.42Å; S372-W374 PolarHBondContact O-N 3.45Å; W374-S376 PolarHBondContact O-N 2.83Å; W374-H377 PolarHBondContact O-N 2.87Å; W374-L378 PolarHBondContact O-N 3.09Å
375	Q	84.8	Confident	86	Confident	56 Å²	56	39.6 Å²	39.6	26%	0.262	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-32.4	173.8	-174.2	175.6	4.6	0	0	111.8	F371 S372 F379 I613	F371-Q375 WeakPolarHBondContact O-CB 3.23Å; F371-Q375 PolarHBondContact O-N 2.9Å; S372-Q375 PolarHBondContact O-N 3.43Å; Q375-F379 HydrophobicContact CG-CE2 4.19Å; Q375-F379 VanDerWaalsContact O-CD2 3.25Å; Q375-F379 WeakPolarHBondContact O-CD2 3.11Å; Q375-I613 HydrophobicContact CB-CD1 4.21Å; Q375-I613 HydrophobicContact CG-CD1 4.37Å; Q375-I613 HydrophobicContact CG-CG2 4.39Å
376	S	85.4	Confident	86.1	Confident	13 Å²	13	40.3 Å²	40.3	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-49.5	172.2	-143.5	0	0	0	0	110.7	S372 S373 W374 L378 F379 D380 G609	S372-S376 WeakPolarHBondContact O-CB 3.38Å; S372-S376 PolarHBondContact O-N 3.3Å; S373-S376 VanDerWaalsContact O-CB 3.26Å; S373-S376 WeakPolarHBondContact O-CB 3.34Å; S373-S376 PolarHBondContact O-N 3.33Å; S373-S376 VanDerWaalsContact O-N 3.17Å; W374-S376 PolarHBondContact O-N 2.83Å; S376-L378 VanDerWaalsContact C-N 3.27Å; S376-L378 PolarHBondContact O-N 2.92Å; S376-F379 CarbonylContact O-C 3.05Å; S376-F379 PolarHBondContact O-N 2.7Å; S376-D380 WeakPolarHBondContact O-CB 3.17Å; S376-D380 PolarHBondContact O-N 3.38Å; S376-G609 WeakPolarHBondContact CB-O 3.41Å; S376-G609 PolarHBondContact OG-O 2.87Å
377	H	86	Confident	86.3	Confident	18 Å²	18	40 Å²	40	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-34.1	-179.2	-176.7	-103.5	0	0	0	113.5	N336 S373 W374 F379	N336-H377 VanDerWaalsContact CG-CD2 3.5Å; S373-H377 PolarHBondContact O-N 2.71Å; W374-H377 PolarHBondContact O-N 2.87Å; H377-F379 PolarHBondContact O-N 2.74Å
378	L	86.9	Confident	86.5	Confident	28 Å²	28	37.8 Å²	37.8	15%	0.147	20%	0.196	C	C	.	.	H	α-helix	trans	-56.1	-35.8	175	-177.5	59.8	0	0	0	112.4	F326 A330 Y333 W374 S376 N381	F326-L378 HydrophobicContact CD2-CD1 4.32Å; F326-L378 HydrophobicContact CD2-CG 4.38Å; F326-L378 HydrophobicContact CE2-CD1 3.84Å; F326-L378 HydrophobicContact CE2-CD2 3.75Å; F326-L378 HydrophobicContact CE2-CG 3.71Å; F326-L378 HydrophobicContact CZ-CD1 4.17Å; F326-L378 HydrophobicContact CZ-CD2 4.02Å; F326-L378 HydrophobicContact CZ-CG 4.32Å; A330-L378 HydrophobicContact CB-CD1 4.02Å; Y333-L378 HydrophobicContact CD2-CB 4.23Å; Y333-L378 HydrophobicContact CD2-CD1 4.43Å; Y333-L378 HydrophobicContact CE2-CB 4.38Å; W374-L378 PolarHBondContact O-N 3.09Å; S376-L378 VanDerWaalsContact C-N 3.27Å; S376-L378 PolarHBondContact O-N 2.92Å; L378-N381 PolarHBondContact O-ND2 2.95Å
379	F	84.3	Confident	86.8	Confident	19 Å²	19	36 Å²	36	8%	0.083	18%	0.179	C	C	.	.	H	α-helix	trans	-106.1	-20.4	-178.7	-56.8	-67.2	0	0	0	114.5	F326 Q375 S376 H377 T384 T616 F695	F326-F379 HydrophobicContact CD2-CD1 4.42Å; F326-F379 AromaticContact CD2-CE1 3.96Å; F326-F379 HydrophobicContact CD2-CE1 3.96Å; F326-F379 HydrophobicContact CE2-CD1 4.43Å; F326-F379 AromaticContact CE2-CE1 3.65Å; F326-F379 HydrophobicContact CE2-CE1 3.65Å; F326-F379 HydrophobicContact CE2-CZ 4.13Å; Q375-F379 HydrophobicContact CG-CE2 4.19Å; Q375-F379 VanDerWaalsContact O-CD2 3.25Å; Q375-F379 WeakPolarHBondContact O-CD2 3.11Å; S376-F379 CarbonylContact O-C 3.05Å; S376-F379 PolarHBondContact O-N 2.7Å; H377-F379 PolarHBondContact O-N 2.74Å; F379-T384 WeakPolarHBondContact O-CG2 3.2Å; F379-T616 HydrophobicContact CE2-CG2 4.48Å; F379-F695 HydrophobicContact CD1-CD2 4.25Å; F379-F695 AromaticContact CE1-CD2 3.85Å; F379-F695 HydrophobicContact CE1-CD2 3.85Å; F379-F695 AromaticContact CE1-CE2 3.96Å; F379-F695 HydrophobicContact CE1-CE2 3.96Å; F379-F695 HydrophobicContact CZ-CD2 4.48Å; F379-F695 HydrophobicContact CZ-CE2 4.4Å
380	D	86.4	Confident	87.2	Confident	6 Å²	6	37.9 Å²	37.9	3%	0.032	19%	0.186	C	C	.	.	S	Bend	trans	-106.6	51.4	177.8	-163.2	27.6	0	0	0	111.2	S376 L612 S758 D759 M760 R763	S376-D380 WeakPolarHBondContact O-CB 3.17Å; S376-D380 PolarHBondContact O-N 3.38Å; D380-L612 HydrophobicContact CB-CD2 3.84Å; D380-S758 VanDerWaalsContact CG-OG 3.26Å; D380-S758 VanDerWaalsContact OD1-CB 3.31Å; D380-S758 WeakPolarHBondContact OD1-CB 3.34Å; D380-S758 PolarHBondContact OD1-OG 3.38Å; D380-S758 PolarHBondContact OD2-OG 2.93Å; D380-D759 PolarHBondContact OD2-N 3.35Å; D380-M760 WeakPolarHBondContact O-CE 3.43Å; D380-R763 PolarHBondContact O-NH1 3.17Å; D380-R763 PolarHBondContact O-NH2 2.96Å; D380-R763 IonicContact OD1-NH2 2.71Å; D380-R763 IonicContact OD2-CZ 3.79Å; D380-R763 IonicContact OD2-NH2 3.83Å; D380-R763 PolarHBondContact OD2-NH2 3.1Å
381	N	87	Confident	87.5	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.011	18%	0.177	C	C	.	.	S	Bend	trans	-99	163.2	178.5	71.9	70.8	0	0	0	111.9	L378 G383 T384 M760	L378-N381 PolarHBondContact O-ND2 2.95Å; N381-G383 PolarHBondContact O-N 3.47Å; N381-G383 VanDerWaalsContact O-N 3.15Å; N381-G383 VanDerWaalsContact OD1-CA 3.28Å; N381-G383 WeakPolarHBondContact OD1-CA 3.46Å; N381-G383 PolarHBondContact OD1-N 2.98Å; N381-T384 PolarHBondContact O-N 3.46Å; N381-T384 PolarHBondContact O-OG1 2.9Å; N381-T384 PolarHBondContact OD1-N 2.83Å; N381-M760 VanDerWaalsContact C-CE 3.42Å; N381-M760 WeakPolarHBondContact O-CE 3.34Å
382	E	86.8	Confident	87.8	Confident	118 Å²	118	30 Å²	30	55%	0.551	15%	0.15	S	C	*	.	H	α-helix	trans	-59.3	-29.7	-176.2	-60.9	176	151	0	0	113.1	Y328 T384 I385 M760	Y328-E382 PolarHBondContact OH-OE2 2.86Å; E382-T384 VanDerWaalsContact C-N 3.28Å; E382-T384 PolarHBondContact O-N 3.34Å; E382-I385 WeakPolarHBondContact O-CB 3.46Å; E382-I385 WeakPolarHBondContact O-CG1 3.47Å; E382-I385 PolarHBondContact O-N 2.95Å; E382-M760 HydrophobicContact CG-CE 4.35Å; E382-M760 HydrophobicContact CG-SD 4.42Å
383	G	88.7	Confident	88.2	Confident	17 Å²	17	31.2 Å²	31.2	18%	0.175	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-25.2	175.8	0	0	0	0	0	114	C325 N381 I385 F386 F387	C325-G383 PolarHBondContact SG-O 3.45Å; C325-G383 VanDerWaalsContact SG-O 3.37Å; N381-G383 PolarHBondContact O-N 3.47Å; N381-G383 VanDerWaalsContact O-N 3.15Å; N381-G383 VanDerWaalsContact OD1-CA 3.28Å; N381-G383 WeakPolarHBondContact OD1-CA 3.46Å; N381-G383 PolarHBondContact OD1-N 2.98Å; G383-I385 VanDerWaalsContact C-N 3.31Å; G383-I385 PolarHBondContact O-N 3.43Å; G383-F386 PolarHBondContact O-N 3.44Å; G383-F387 WeakPolarHBondContact O-CB 3.49Å; G383-F387 PolarHBondContact O-N 3.31Å
384	T	88.4	Confident	88.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-73.9	-23.1	178.8	67	0	0	0	0	113	F379 N381 E382 F387 A388 P696	F379-T384 WeakPolarHBondContact O-CG2 3.2Å; N381-T384 PolarHBondContact O-N 3.46Å; N381-T384 PolarHBondContact O-OG1 2.9Å; N381-T384 PolarHBondContact OD1-N 2.83Å; E382-T384 VanDerWaalsContact C-N 3.28Å; E382-T384 PolarHBondContact O-N 3.34Å; T384-F387 PolarHBondContact O-N 2.89Å; T384-A388 VanDerWaalsContact O-CB 3.3Å; T384-A388 WeakPolarHBondContact O-CB 3.38Å; T384-A388 PolarHBondContact O-N 3.31Å; T384-P696 HydrophobicContact CG2-CG 3.52Å
385	I	88	Confident	89	Confident	26 Å²	26	29.2 Å²	29.2	13%	0.133	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-52.2	168.6	-45.8	169.4	0	0	0	109.3	E382 G383 F387 A388 I389 M754 M760 M764 F840	E382-I385 WeakPolarHBondContact O-CB 3.46Å; E382-I385 WeakPolarHBondContact O-CG1 3.47Å; E382-I385 PolarHBondContact O-N 2.95Å; G383-I385 VanDerWaalsContact C-N 3.31Å; G383-I385 PolarHBondContact O-N 3.43Å; I385-F387 VanDerWaalsContact C-N 3.33Å; I385-F387 PolarHBondContact O-N 3.49Å; I385-A388 PolarHBondContact O-N 3.4Å; I385-I389 HydrophobicContact CG2-CD1 4.41Å; I385-I389 WeakPolarHBondContact O-CG1 3.31Å; I385-I389 PolarHBondContact O-N 3.12Å; I385-I389 VanDerWaalsContact O-N 3.12Å; I385-M754 HydrophobicContact CB-CE 4.49Å; I385-M754 HydrophobicContact CG1-CE 3.74Å; I385-M760 HydrophobicContact CD1-CE 4.34Å; I385-M760 HydrophobicContact CD1-CG 3.73Å; I385-M760 HydrophobicContact CD1-SD 4.17Å; I385-M760 HydrophobicContact CG1-CG 4.24Å; I385-M764 HydrophobicContact CD1-CE 3.59Å; I385-F840 HydrophobicContact CG2-CE2 4.25Å; I385-F840 HydrophobicContact CG2-CZ 4.24Å
386	F	89.9	Confident	89.2	Confident	128 Å²	128	26.9 Å²	26.9	56%	0.561	14%	0.136	S	C	*	.	H	α-helix	trans	-61.3	-42.2	177.4	174.6	-98.1	0	0	0	111.3	M321 G383 I389 F390	M321-F386 HydrophobicContact CE-CE1 3.81Å; G383-F386 PolarHBondContact O-N 3.44Å; F386-I389 PolarHBondContact O-N 2.88Å; F386-F390 WeakPolarHBondContact O-CB 3.48Å; F386-F390 PolarHBondContact O-N 2.84Å
387	F	92.3	Very high	89.5	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-65.6	-38.6	178	-171.3	-118.4	0	0	0	112.8	M321 G322 C325 G383 T384 I385 F390 M391 V692 P696 P699	M321-F387 HydrophobicContact CB-CD2 4.11Å; M321-F387 HydrophobicContact CB-CE2 3.8Å; G322-F387 VanDerWaalsContact N-CE2 3.32Å; C325-F387 HydrophobicContact CB-CB 4.27Å; C325-F387 HydrophobicContact CB-CG 4.36Å; G383-F387 WeakPolarHBondContact O-CB 3.49Å; G383-F387 PolarHBondContact O-N 3.31Å; T384-F387 PolarHBondContact O-N 2.89Å; I385-F387 VanDerWaalsContact C-N 3.33Å; I385-F387 PolarHBondContact O-N 3.49Å; F387-F390 AromaticContact CD2-CD1 3.99Å; F387-F390 HydrophobicContact CD2-CD1 3.99Å; F387-F390 AromaticContact CE2-CD1 3.94Å; F387-F390 HydrophobicContact CE2-CD1 3.94Å; F387-F390 HydrophobicContact CE2-CE1 4.29Å; F387-F390 PolarHBondContact O-N 2.7Å; F387-M391 HydrophobicContact CD1-CG 4.21Å; F387-M391 HydrophobicContact CD2-CG 4.23Å; F387-M391 HydrophobicContact CE1-CG 3.83Å; F387-M391 HydrophobicContact CE1-SD 4.44Å; F387-M391 HydrophobicContact CE2-CG 3.83Å; F387-M391 HydrophobicContact CE2-SD 3.98Å; F387-M391 HydrophobicContact CG-CG 4.4Å; F387-M391 HydrophobicContact CZ-CG 3.63Å; F387-M391 HydrophobicContact CZ-SD 3.74Å; F387-M391 WeakPolarHBondContact O-CB 3.39Å; F387-M391 VanDerWaalsContact O-CG 3.26Å; F387-M391 WeakPolarHBondContact O-CG 3.48Å; F387-M391 PolarHBondContact O-N 3.11Å; F387-V692 HydrophobicContact CD1-CG2 4.48Å; F387-V692 HydrophobicContact CE1-CG2 3.76Å; F387-V692 HydrophobicContact CZ-CG2 4.47Å; F387-P696 HydrophobicContact CD1-CB 3.91Å; F387-P696 HydrophobicContact CD1-CG 4.36Å; F387-P696 HydrophobicContact CE1-CB 3.98Å; F387-P699 HydrophobicContact CZ-CG 4.18Å
388	A	90.8	Very high	89.9	Confident	2 Å²	2	27.8 Å²	27.8	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-65.7	-38.2	175.6	0	0	0	0	0	112.3	T384 I385 G392 A693 M844	T384-A388 VanDerWaalsContact O-CB 3.3Å; T384-A388 WeakPolarHBondContact O-CB 3.38Å; T384-A388 PolarHBondContact O-N 3.31Å; I385-A388 PolarHBondContact O-N 3.4Å; A388-G392 PolarHBondContact O-N 2.89Å; A388-G392 VanDerWaalsContact O-N 3.08Å; A388-A693 HydrophobicContact CB-CB 4.23Å; A388-M844 HydrophobicContact CB-CE 3.79Å
389	I	89.6	Confident	90.2	Very high	55 Å²	55	26.6 Å²	26.6	28%	0.282	13%	0.134	S	C	.	.	H	α-helix	trans	-66.6	-48.4	172.7	-64.5	168.1	0	0	0	110.4	I385 F386 M391 G392 I393 M844	I385-I389 HydrophobicContact CG2-CD1 4.41Å; I385-I389 WeakPolarHBondContact O-CG1 3.31Å; I385-I389 PolarHBondContact O-N 3.12Å; I385-I389 VanDerWaalsContact O-N 3.12Å; F386-I389 PolarHBondContact O-N 2.88Å; I389-M391 VanDerWaalsContact C-N 3.3Å; I389-M391 PolarHBondContact O-N 2.83Å; I389-G392 PolarHBondContact O-N 2.63Å; I389-G392 VanDerWaalsContact O-N 3.14Å; I389-I393 HydrophobicContact CG2-CD1 4.25Å; I389-I393 WeakPolarHBondContact O-CG1 3.31Å; I389-I393 PolarHBondContact O-N 2.96Å; I389-I393 VanDerWaalsContact O-N 3.13Å; I389-M844 HydrophobicContact CG1-CE 4.2Å; I389-M844 HydrophobicContact CG1-CG 4.48Å
390	F	92.4	Very high	90.5	Very high	51 Å²	51	26.3 Å²	26.3	22%	0.224	13%	0.133	C	C	.	.	H	α-helix	trans	-54.9	-45.1	175.4	167.5	-91.8	0	0	0	111.5	M321 F386 F387 G392 I393 W394	M321-F390 HydrophobicContact CB-CD1 4.07Å; M321-F390 HydrophobicContact CB-CE1 3.74Å; M321-F390 HydrophobicContact CB-CZ 4.09Å; M321-F390 HydrophobicContact CG-CD1 4.3Å; M321-F390 HydrophobicContact CG-CD2 4.44Å; M321-F390 HydrophobicContact CG-CE1 3.78Å; M321-F390 HydrophobicContact CG-CE2 3.92Å; M321-F390 HydrophobicContact CG-CZ 3.57Å; F386-F390 WeakPolarHBondContact O-CB 3.48Å; F386-F390 PolarHBondContact O-N 2.84Å; F387-F390 AromaticContact CD2-CD1 3.99Å; F387-F390 HydrophobicContact CD2-CD1 3.99Å; F387-F390 AromaticContact CE2-CD1 3.94Å; F387-F390 HydrophobicContact CE2-CD1 3.94Å; F387-F390 HydrophobicContact CE2-CE1 4.29Å; F387-F390 PolarHBondContact O-N 2.7Å; F390-G392 VanDerWaalsContact C-N 3.35Å; F390-G392 PolarHBondContact O-N 2.95Å; F390-I393 CarbonylContact O-C 3.6Å; F390-I393 PolarHBondContact O-N 3.19Å; F390-I393 VanDerWaalsContact O-N 3.13Å; F390-W394 HydrophobicContact CE1-CB 4.11Å; F390-W394 HydrophobicContact CE1-CG 4.48Å; F390-W394 HydrophobicContact CZ-CB 4.26Å; F390-W394 WeakPolarHBondContact O-CB 3.37Å; F390-W394 PolarHBondContact O-N 3.4Å
391	M	93.2	Very high	90.8	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.02	15%	0.145	C	C	.	.	H	α-helix	trans	-66.4	-35.4	178.9	-75.7	-62.3	-56.4	0	0	112.4	A318 F387 I389 I393 W394 V395 I688 V692	A318-M391 HydrophobicContact CB-CE 4.18Å; A318-M391 HydrophobicContact CB-SD 3.71Å; F387-M391 HydrophobicContact CD1-CG 4.21Å; F387-M391 HydrophobicContact CD2-CG 4.23Å; F387-M391 HydrophobicContact CE1-CG 3.83Å; F387-M391 HydrophobicContact CE1-SD 4.44Å; F387-M391 HydrophobicContact CE2-CG 3.83Å; F387-M391 HydrophobicContact CE2-SD 3.98Å; F387-M391 HydrophobicContact CG-CG 4.4Å; F387-M391 HydrophobicContact CZ-CG 3.63Å; F387-M391 HydrophobicContact CZ-SD 3.74Å; F387-M391 WeakPolarHBondContact O-CB 3.39Å; F387-M391 VanDerWaalsContact O-CG 3.26Å; F387-M391 WeakPolarHBondContact O-CG 3.48Å; F387-M391 PolarHBondContact O-N 3.11Å; I389-M391 VanDerWaalsContact C-N 3.3Å; I389-M391 PolarHBondContact O-N 2.83Å; M391-I393 VanDerWaalsContact C-N 3.29Å; M391-I393 PolarHBondContact O-N 3.49Å; M391-W394 HydrophobicContact CE-CD2 4.15Å; M391-W394 HydrophobicContact CE-CE3 3.52Å; M391-W394 HydrophobicContact CE-CZ3 3.92Å; M391-W394 PolarHBondContact O-N 2.58Å; M391-W394 HydrophobicContact SD-CB 4.5Å; M391-W394 HydrophobicContact SD-CD2 4.47Å; M391-W394 HydrophobicContact SD-CE3 4.37Å; M391-V395 WeakPolarHBondContact O-CB 3.47Å; M391-V395 VanDerWaalsContact O-CG2 3.31Å; M391-V395 WeakPolarHBondContact O-CG2 3.23Å; M391-V395 PolarHBondContact O-N 3.27Å; M391-I688 HydrophobicContact CE-CG2 4.21Å; M391-V692 HydrophobicContact CB-CG1 3.76Å; M391-V692 HydrophobicContact CE-CG2 4.22Å; M391-V692 HydrophobicContact CG-CG1 3.92Å; M391-V692 HydrophobicContact CG-CG2 3.93Å
392	G	90.3	Very high	91.1	Very high	9 Å²	9	29.2 Å²	29.2	9%	0.093	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-39.4	170	0	0	0	0	0	112.9	A388 I389 F390	A388-G392 PolarHBondContact O-N 2.89Å; A388-G392 VanDerWaalsContact O-N 3.08Å; I389-G392 PolarHBondContact O-N 2.63Å; I389-G392 VanDerWaalsContact O-N 3.14Å; F390-G392 VanDerWaalsContact C-N 3.35Å; F390-G392 PolarHBondContact O-N 2.95Å
393	I	90.4	Very high	91.4	Very high	49 Å²	49	26.2 Å²	26.2	25%	0.251	13%	0.13	S	C	.	.	H	α-helix	trans	-76.6	-39.5	176.6	-58.3	171.8	0	0	0	111.4	I389 F390 M391 V395 T396 L397 V851	I389-I393 HydrophobicContact CG2-CD1 4.25Å; I389-I393 WeakPolarHBondContact O-CG1 3.31Å; I389-I393 PolarHBondContact O-N 2.96Å; I389-I393 VanDerWaalsContact O-N 3.13Å; F390-I393 CarbonylContact O-C 3.6Å; F390-I393 PolarHBondContact O-N 3.19Å; F390-I393 VanDerWaalsContact O-N 3.13Å; M391-I393 VanDerWaalsContact C-N 3.29Å; M391-I393 PolarHBondContact O-N 3.49Å; I393-V395 VanDerWaalsContact C-N 3.29Å; I393-V395 PolarHBondContact O-N 3.36Å; I393-T396 PolarHBondContact O-N 2.67Å; I393-T396 PolarHBondContact O-OG1 2.85Å; I393-L397 HydrophobicContact CG2-CD1 4.03Å; I393-L397 HydrophobicContact CG2-CG 4.41Å; I393-L397 WeakPolarHBondContact O-CG 3.5Å; I393-L397 PolarHBondContact O-N 3.36Å; I393-V851 HydrophobicContact CB-CG1 4.49Å; I393-V851 HydrophobicContact CD1-CG1 4.09Å; I393-V851 HydrophobicContact CG1-CB 4.39Å; I393-V851 HydrophobicContact CG1-CG1 3.83Å; I393-V851 HydrophobicContact CG2-CG1 4Å
394	W	94.3	Very high	91.6	Very high	7 Å²	7	30 Å²	30	3%	0.027	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-39.7	176.2	173.9	90.6	0	0	0	111.5	Y311 M314 L315 A318 F390 M391 T396 L397 F398 F685 T689	Y311-W394 HydrophobicContact CE2-CH2 4.41Å; M314-W394 HydrophobicContact CB-CZ2 3.98Å; M314-W394 PolarHBondContact O-NE1 3.05Å; L315-W394 HydrophobicContact CD2-CH2 4.41Å; L315-W394 HydrophobicContact CD2-CZ2 4.47Å; L315-W394 HydrophobicContact CG-CH2 4.49Å; L315-W394 HydrophobicContact CG-CZ2 4.38Å; A318-W394 HydrophobicContact CB-CD2 4.14Å; A318-W394 HydrophobicContact CB-CG 4.38Å; A318-W394 HydrophobicContact CB-CZ2 4.27Å; F390-W394 HydrophobicContact CE1-CB 4.11Å; F390-W394 HydrophobicContact CE1-CG 4.48Å; F390-W394 HydrophobicContact CZ-CB 4.26Å; F390-W394 WeakPolarHBondContact O-CB 3.37Å; F390-W394 PolarHBondContact O-N 3.4Å; M391-W394 HydrophobicContact CE-CD2 4.15Å; M391-W394 HydrophobicContact CE-CE3 3.52Å; M391-W394 HydrophobicContact CE-CZ3 3.92Å; M391-W394 PolarHBondContact O-N 2.58Å; M391-W394 HydrophobicContact SD-CB 4.5Å; M391-W394 HydrophobicContact SD-CD2 4.47Å; M391-W394 HydrophobicContact SD-CE3 4.37Å; W394-T396 VanDerWaalsContact C-N 3.34Å; W394-T396 PolarHBondContact O-N 3.35Å; W394-L397 PolarHBondContact O-N 3.46Å; W394-F398 VanDerWaalsContact O-CB 3.29Å; W394-F398 WeakPolarHBondContact O-CB 3.47Å; W394-F398 PolarHBondContact O-N 3.12Å; W394-F685 HydrophobicContact CH2-CE2 4.43Å; W394-F685 HydrophobicContact CZ3-CE2 4.15Å; W394-T689 HydrophobicContact CZ3-CG2 4.38Å
395	V	93.3	Very high	91.7	Very high	3 Å²	3	34 Å²	34	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-39.6	175.4	165.2	0	0	0	0	112	M391 I393 L399 F685 T689 A743	M391-V395 WeakPolarHBondContact O-CB 3.47Å; M391-V395 VanDerWaalsContact O-CG2 3.31Å; M391-V395 WeakPolarHBondContact O-CG2 3.23Å; M391-V395 PolarHBondContact O-N 3.27Å; I393-V395 VanDerWaalsContact C-N 3.29Å; I393-V395 PolarHBondContact O-N 3.36Å; V395-L399 HydrophobicContact CG1-CD1 4.41Å; V395-L399 WeakPolarHBondContact O-CG 3.43Å; V395-L399 PolarHBondContact O-N 3.07Å; V395-L399 VanDerWaalsContact O-N 3.17Å; V395-F685 HydrophobicContact CG1-CZ 4.27Å; V395-F685 HydrophobicContact CG2-CZ 4.39Å; V395-T689 HydrophobicContact CG2-CG2 3.4Å; V395-T689 VanDerWaalsContact CG2-CG2 3.4Å; V395-A743 HydrophobicContact CG1-CB 3.27Å
396	T	89.8	Confident	91.9	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.043	15%	0.153	C	C	.	.	H	α-helix	trans	-72.6	-43	178.8	63	0	0	0	0	111.1	I393 W394 F398 L399 E400 K852	I393-T396 PolarHBondContact O-N 2.67Å; I393-T396 PolarHBondContact O-OG1 2.85Å; W394-T396 VanDerWaalsContact C-N 3.34Å; W394-T396 PolarHBondContact O-N 3.35Å; T396-F398 VanDerWaalsContact C-N 3.33Å; T396-F398 PolarHBondContact O-N 3.26Å; T396-L399 PolarHBondContact O-N 3.38Å; T396-E400 WeakPolarHBondContact O-CG 3.29Å; T396-E400 PolarHBondContact O-N 3.08Å; T396-K852 HydrophobicContact CG2-CB 3.72Å; T396-K852 HydrophobicContact CG2-CD 3.91Å; T396-K852 HydrophobicContact CG2-CG 3.57Å
397	L	91.9	Very high	91.9	Very high	49 Å²	49	28.1 Å²	28.1	26%	0.257	13%	0.129	S	C	.	.	H	α-helix	trans	-59.3	-41.7	173	-68.7	170.6	0	0	0	112.2	M314 I393 W394 F401 V855 I859	M314-L397 HydrophobicContact CE-CB 4.33Å; I393-L397 HydrophobicContact CG2-CD1 4.03Å; I393-L397 HydrophobicContact CG2-CG 4.41Å; I393-L397 WeakPolarHBondContact O-CG 3.5Å; I393-L397 PolarHBondContact O-N 3.36Å; W394-L397 PolarHBondContact O-N 3.46Å; L397-F401 HydrophobicContact CB-CD2 4.36Å; L397-F401 HydrophobicContact CB-CE2 4.29Å; L397-F401 HydrophobicContact CD2-CE2 4.17Å; L397-F401 HydrophobicContact CD2-CZ 4.19Å; L397-F401 WeakPolarHBondContact O-CB 3.45Å; L397-F401 WeakPolarHBondContact O-CD2 3.49Å; L397-F401 VanDerWaalsContact O-CG 3.3Å; L397-F401 WeakPolarHBondContact O-CG 3.06Å; L397-F401 PolarHBondContact O-N 2.91Å; L397-V855 HydrophobicContact CD2-CG1 3.86Å; L397-V855 HydrophobicContact CD2-CG2 4.31Å; L397-I859 HydrophobicContact CD2-CD1 4.01Å
398	F	93.8	Very high	91.8	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-58	-47.8	174.7	167	-110.4	0	0	0	112.1	W307 F310 Y311 M314 W394 T396 W402 F685	W307-F398 AromaticContact NE1-CZ 4Å; F310-F398 HydrophobicContact CD1-CD2 4.13Å; F310-F398 AromaticContact CD1-CE2 3.84Å; F310-F398 HydrophobicContact CD1-CE2 3.84Å; F310-F398 AromaticContact CE1-CD2 3.62Å; F310-F398 HydrophobicContact CE1-CD2 3.62Å; F310-F398 AromaticContact CE1-CE2 3.79Å; F310-F398 HydrophobicContact CE1-CE2 3.79Å; Y311-F398 AromaticContact CD2-CE2 4Å; Y311-F398 HydrophobicContact CD2-CE2 4Å; Y311-F398 AromaticContact CD2-CZ 3.99Å; Y311-F398 HydrophobicContact CD2-CZ 3.99Å; Y311-F398 HydrophobicContact CG-CE2 4.35Å; Y311-F398 HydrophobicContact CG-CZ 4.32Å; M314-F398 HydrophobicContact CB-CD2 3.97Å; M314-F398 HydrophobicContact CE-CB 4.24Å; M314-F398 HydrophobicContact CG-CD2 4.09Å; W394-F398 VanDerWaalsContact O-CB 3.29Å; W394-F398 WeakPolarHBondContact O-CB 3.47Å; W394-F398 PolarHBondContact O-N 3.12Å; T396-F398 VanDerWaalsContact C-N 3.33Å; T396-F398 PolarHBondContact O-N 3.26Å; F398-W402 VanDerWaalsContact O-CB 3.27Å; F398-W402 WeakPolarHBondContact O-CB 3.36Å; F398-W402 PolarHBondContact O-N 3.03Å; F398-F685 AromaticContact CD1-CE2 3.61Å; F398-F685 HydrophobicContact CD1-CE2 3.61Å; F398-F685 HydrophobicContact CD1-CZ 4.08Å; F398-F685 HydrophobicContact CE1-CD2 4.1Å; F398-F685 AromaticContact CE1-CE2 3.52Å; F398-F685 HydrophobicContact CE1-CE2 3.52Å; F398-F685 HydrophobicContact CE1-CZ 4.08Å
399	L	92.4	Very high	91.8	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	15%	0.147	C	C	.	.	H	α-helix	trans	-68.1	-46.3	-179.2	-68	173	0	0	0	112.4	V395 T396 W402 K403 L739 A743	V395-L399 HydrophobicContact CG1-CD1 4.41Å; V395-L399 WeakPolarHBondContact O-CG 3.43Å; V395-L399 PolarHBondContact O-N 3.07Å; V395-L399 VanDerWaalsContact O-N 3.17Å; T396-L399 PolarHBondContact O-N 3.38Å; L399-W402 PolarHBondContact O-N 3.32Å; L399-K403 WeakPolarHBondContact O-CG 3.47Å; L399-K403 PolarHBondContact O-N 3.34Å; L399-L739 HydrophobicContact CD2-CB 3.88Å; L399-A743 HydrophobicContact CD1-CB 3.54Å
400	E	91	Very high	91.8	Very high	14 Å²	14	31 Å²	31	7%	0.065	14%	0.138	C	C	.	.	H	α-helix	trans	-69.8	-39	-178.3	-61.2	-53.1	146.6	0	0	112.2	T396 K403 R404 V855	T396-E400 WeakPolarHBondContact O-CG 3.29Å; T396-E400 PolarHBondContact O-N 3.08Å; E400-K403 VanDerWaalsContact CD-NZ 3.25Å; E400-K403 PolarHBondContact O-N 2.83Å; E400-K403 IonicContact OE1-NZ 2.94Å; E400-K403 PolarHBondContact OE1-NZ 3.45Å; E400-K403 WeakPolarHBondContact OE2-CD 3.47Å; E400-K403 VanDerWaalsContact OE2-CE 3.31Å; E400-K403 WeakPolarHBondContact OE2-CE 3.41Å; E400-K403 IonicContact OE2-NZ 3.94Å; E400-K403 PolarHBondContact OE2-NZ 2.9Å; E400-R404 PolarHBondContact O-N 2.57Å; E400-R404 VanDerWaalsContact O-N 3.1Å; E400-V855 HydrophobicContact CG-CG1 4.22Å
401	F	92.9	Very high	91.6	Very high	67 Å²	67	30 Å²	30	29%	0.294	13%	0.132	S	C	.	.	H	α-helix	trans	-70.6	-31	171.7	-68.1	-27.5	0	0	0	112.9	F310 M314 L397 R404 R405 I859	F310-F401 HydrophobicContact CE2-CB 4.28Å; F310-F401 HydrophobicContact CZ-CB 3.63Å; M314-F401 HydrophobicContact CE-CD2 3.87Å; M314-F401 HydrophobicContact SD-CD2 4.4Å; L397-F401 HydrophobicContact CB-CD2 4.36Å; L397-F401 HydrophobicContact CB-CE2 4.29Å; L397-F401 HydrophobicContact CD2-CE2 4.17Å; L397-F401 HydrophobicContact CD2-CZ 4.19Å; L397-F401 WeakPolarHBondContact O-CB 3.45Å; L397-F401 WeakPolarHBondContact O-CD2 3.49Å; L397-F401 VanDerWaalsContact O-CG 3.3Å; L397-F401 WeakPolarHBondContact O-CG 3.06Å; L397-F401 PolarHBondContact O-N 2.91Å; F401-R404 PolarHBondContact O-N 2.76Å; F401-R405 WeakPolarHBondContact O-CB 3.07Å; F401-R405 PolarHBondContact O-N 3.32Å; F401-I859 HydrophobicContact CD1-CD1 4.49Å; F401-I859 HydrophobicContact CD1-CG2 4.19Å; F401-I859 HydrophobicContact CE1-CD1 3.67Å; F401-I859 HydrophobicContact CE1-CG2 3.98Å; F401-I859 HydrophobicContact CZ-CD1 4.03Å
402	W	94.3	Very high	91.2	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-48.4	170.9	174.1	-110.7	0	0	0	111.3	I303 A306 W307 F310 F398 L399 R404 R405 Q406 L409 I732	I303-W402 HydrophobicContact CD1-CH2 3.82Å; I303-W402 HydrophobicContact CD1-CZ2 3.9Å; I303-W402 HydrophobicContact CG1-CH2 4.41Å; I303-W402 HydrophobicContact CG1-CZ2 4.22Å; A306-W402 HydrophobicContact CB-CH2 4.39Å; W307-W402 HydrophobicContact CB-CH2 3.66Å; W307-W402 HydrophobicContact CB-CZ2 3.86Å; W307-W402 HydrophobicContact CB-CZ3 4.07Å; W307-W402 AromaticContact CD1-CD2 3.74Å; W307-W402 AromaticContact CD1-CE2 3.65Å; W307-W402 AromaticContact CD1-CZ2 3.98Å; W307-W402 AromaticContact CD1-NE1 3.98Å; W307-W402 HydrophobicContact CG-CH2 4.46Å; W307-W402 HydrophobicContact CG-CZ2 4.33Å; F310-W402 HydrophobicContact CB-CE3 4.01Å; F310-W402 HydrophobicContact CB-CZ3 4.08Å; F310-W402 HydrophobicContact CD1-CB 4.01Å; F310-W402 HydrophobicContact CD1-CD2 4.33Å; F310-W402 AromaticContact CD1-CE3 3.59Å; F310-W402 HydrophobicContact CD1-CE3 3.59Å; F310-W402 HydrophobicContact CD1-CZ3 4.48Å; F310-W402 HydrophobicContact CE1-CB 3.67Å; F310-W402 HydrophobicContact CE1-CE3 4.34Å; F310-W402 AromaticContact CG-CE3 3.89Å; F310-W402 HydrophobicContact CG-CE3 3.89Å; F310-W402 HydrophobicContact CG-CZ3 4.41Å; F398-W402 VanDerWaalsContact O-CB 3.27Å; F398-W402 WeakPolarHBondContact O-CB 3.36Å; F398-W402 PolarHBondContact O-N 3.03Å; L399-W402 PolarHBondContact O-N 3.32Å; W402-R404 PolarHBondContact O-N 3.12Å; W402-R405 HydrophobicContact CE3-CB 4.25Å; W402-R405 HydrophobicContact CE3-CG 4.43Å; W402-R405 HydrophobicContact CZ3-CB 4.44Å; W402-R405 HydrophobicContact CZ3-CG 4.18Å; W402-R405 PolarHBondContact O-N 3.47Å; W402-R405 VanDerWaalsContact O-N 3.08Å; W402-Q406 HydrophobicContact CZ2-CB 4.04Å; W402-Q406 HydrophobicContact CZ2-CG 4.15Å; W402-Q406 WeakPolarHBondContact O-CB 3.21Å; W402-Q406 PolarHBondContact O-N 2.7Å; W402-L409 HydrophobicContact CH2-CD1 4.28Å; W402-I732 HydrophobicContact CZ2-CG2 3.93Å
403	K	91.9	Very high	91.1	Very high	56 Å²	56	33.4 Å²	33.4	24%	0.243	15%	0.146	C	C	.	.	H	α-helix	trans	-52.2	-45.6	173.5	-65.6	-179.3	-167.1	165.5	0	111.1	L399 E400 R405 Q406 A407 D861	L399-K403 WeakPolarHBondContact O-CG 3.47Å; L399-K403 PolarHBondContact O-N 3.34Å; E400-K403 VanDerWaalsContact CD-NZ 3.25Å; E400-K403 PolarHBondContact O-N 2.83Å; E400-K403 IonicContact OE1-NZ 2.94Å; E400-K403 PolarHBondContact OE1-NZ 3.45Å; E400-K403 WeakPolarHBondContact OE2-CD 3.47Å; E400-K403 VanDerWaalsContact OE2-CE 3.31Å; E400-K403 WeakPolarHBondContact OE2-CE 3.41Å; E400-K403 IonicContact OE2-NZ 3.94Å; E400-K403 PolarHBondContact OE2-NZ 2.9Å; K403-R405 PolarHBondContact O-N 2.78Å; K403-Q406 PolarHBondContact O-N 3.49Å; K403-A407 WeakPolarHBondContact O-CB 3.28Å; K403-A407 PolarHBondContact O-N 3.37Å; K403-D861 HydrophobicContact CD-CB 4.3Å; K403-D861 WeakPolarHBondContact CD-OD1 3.43Å; K403-D861 WeakPolarHBondContact CE-OD1 3.37Å; K403-D861 IonicContact NZ-OD1 2.74Å; K403-D861 PolarHBondContact NZ-OD1 2.88Å
404	R	92.1	Very high	90.9	Very high	95 Å²	95	33 Å²	33	36%	0.358	14%	0.144	S	C	.	.	H	α-helix	trans	-65.2	-34.4	179.9	-167.9	-179.7	171.4	-166.3	-2.2	113.3	E400 F401 W402 R408 D861 P863	E400-R404 PolarHBondContact O-N 2.57Å; E400-R404 VanDerWaalsContact O-N 3.1Å; F401-R404 PolarHBondContact O-N 2.76Å; W402-R404 PolarHBondContact O-N 3.12Å; R404-R408 PolarHBondContact O-N 3.04Å; R404-D861 VanDerWaalsContact CA-O 3.26Å; R404-D861 WeakPolarHBondContact CA-O 3.29Å; R404-P863 HydrophobicContact CG-CG 3.73Å
405	R	91.2	Very high	90.4	Very high	84 Å²	84	32.7 Å²	32.7	32%	0.317	14%	0.143	S	C	.	.	H	α-helix	trans	-74.6	-42.4	173.4	-175.8	52.4	164.7	143.5	-11.4	111.5	F401 W402 K403 R408 L409 E412	F401-R405 WeakPolarHBondContact O-CB 3.07Å; F401-R405 PolarHBondContact O-N 3.32Å; W402-R405 HydrophobicContact CE3-CB 4.25Å; W402-R405 HydrophobicContact CE3-CG 4.43Å; W402-R405 HydrophobicContact CZ3-CB 4.44Å; W402-R405 HydrophobicContact CZ3-CG 4.18Å; W402-R405 PolarHBondContact O-N 3.47Å; W402-R405 VanDerWaalsContact O-N 3.08Å; K403-R405 PolarHBondContact O-N 2.78Å; R405-R408 WeakPolarHBondContact O-CB 3.3Å; R405-R408 PolarHBondContact O-N 3.04Å; R405-L409 HydrophobicContact CG-CD1 4.27Å; R405-L409 WeakPolarHBondContact O-CG 3.27Å; R405-L409 PolarHBondContact O-N 3.2Å; R405-E412 IonicContact NH1-OE2 3.49Å; R405-E412 PolarHBondContact NH1-OE2 3.34Å
406	Q	92.6	Very high	89.6	Confident	22 Å²	22	34.1 Å²	34.1	10%	0.103	15%	0.152	C	C	.	.	H	α-helix	trans	-58.5	-49.7	174.2	-167.1	-169.4	-84.3	0	0	110.4	I303 W402 K403 R408 L409 E410	I303-Q406 HydrophobicContact CD1-CG 4.41Å; W402-Q406 HydrophobicContact CZ2-CB 4.04Å; W402-Q406 HydrophobicContact CZ2-CG 4.15Å; W402-Q406 WeakPolarHBondContact O-CB 3.21Å; W402-Q406 PolarHBondContact O-N 2.7Å; K403-Q406 PolarHBondContact O-N 3.49Å; Q406-R408 PolarHBondContact O-N 3.03Å; Q406-R408 VanDerWaalsContact O-N 3.15Å; Q406-L409 CarbonylContact O-C 3.52Å; Q406-L409 WeakPolarHBondContact O-CA 3.36Å; Q406-L409 PolarHBondContact O-N 3.47Å; Q406-E410 HydrophobicContact CG-CG 4.4Å; Q406-E410 PolarHBondContact NE2-OE1 3.37Å; Q406-E410 WeakPolarHBondContact O-CG 3.36Å; Q406-E410 PolarHBondContact O-N 2.69Å
407	A	90.6	Very high	88.5	Confident	9 Å²	9	36.2 Å²	36.2	7%	0.074	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-25.9	177.7	0	0	0	0	0	114.1	K403 V862	K403-A407 WeakPolarHBondContact O-CB 3.28Å; K403-A407 PolarHBondContact O-N 3.37Å; A407-V862 HydrophobicContact CB-CB 4.27Å; A407-V862 HydrophobicContact CB-CG1 4.2Å; A407-V862 HydrophobicContact CB-CG2 3.82Å
408	R	90.4	Very high	86.9	Confident	100 Å²	100	34.6 Å²	34.6	38%	0.377	15%	0.154	S	C	.	.	H	α-helix	trans	-75.6	-44.6	170.1	-175.9	-174.7	-75.9	-169.9	-5.3	111.2	R404 R405 Q406 E410 Y411 E412 V866	R404-R408 PolarHBondContact O-N 3.04Å; R405-R408 WeakPolarHBondContact O-CB 3.3Å; R405-R408 PolarHBondContact O-N 3.04Å; Q406-R408 PolarHBondContact O-N 3.03Å; Q406-R408 VanDerWaalsContact O-N 3.15Å; R408-E410 VanDerWaalsContact C-N 3.34Å; R408-E410 PolarHBondContact O-N 3.48Å; R408-Y411 WeakPolarHBondContact O-CB 3.24Å; R408-Y411 PolarHBondContact O-N 3.28Å; R408-Y411 VanDerWaalsContact O-N 3.17Å; R408-E412 WeakPolarHBondContact CD-OE1 3.41Å; R408-E412 HydrophobicContact CG-CG 4.25Å; R408-E412 WeakPolarHBondContact CG-OE1 3.38Å; R408-E412 WeakPolarHBondContact O-CG 3.37Å; R408-E412 PolarHBondContact O-N 2.97Å; R408-V866 HydrophobicContact CB-CG2 4.29Å; R408-V866 HydrophobicContact CG-CG2 4.3Å
409	L	90.4	Very high	85	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-34.9	176.2	-65.3	166.6	0	0	0	112.5	I303 A306 W402 R405 Q406 Y411 E412 W413	I303-L409 HydrophobicContact CD1-CD1 3.94Å; A306-L409 HydrophobicContact CB-CD1 3.69Å; W402-L409 HydrophobicContact CH2-CD1 4.28Å; R405-L409 HydrophobicContact CG-CD1 4.27Å; R405-L409 WeakPolarHBondContact O-CG 3.27Å; R405-L409 PolarHBondContact O-N 3.2Å; Q406-L409 CarbonylContact O-C 3.52Å; Q406-L409 WeakPolarHBondContact O-CA 3.36Å; Q406-L409 PolarHBondContact O-N 3.47Å; L409-Y411 PolarHBondContact O-N 3.13Å; L409-E412 PolarHBondContact O-N 3.1Å; L409-W413 HydrophobicContact CB-CE3 4.41Å; L409-W413 HydrophobicContact CB-CZ3 4.49Å; L409-W413 HydrophobicContact CD1-CH2 4.48Å; L409-W413 HydrophobicContact CD2-CH2 4.15Å; L409-W413 HydrophobicContact CD2-CZ2 3.77Å; L409-W413 VanDerWaalsContact O-CB 3.23Å; L409-W413 WeakPolarHBondContact O-CB 3.11Å; L409-W413 PolarHBondContact O-N 3.27Å
410	E	89.3	Confident	83.2	Confident	18 Å²	18	46.4 Å²	46.4	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-32.6	173.1	-74.6	177.5	-154.1	0	0	112.1	Q406 R408 L415 V416 R730	Q406-E410 HydrophobicContact CG-CG 4.4Å; Q406-E410 PolarHBondContact NE2-OE1 3.37Å; Q406-E410 WeakPolarHBondContact O-CG 3.36Å; Q406-E410 PolarHBondContact O-N 2.69Å; R408-E410 VanDerWaalsContact C-N 3.34Å; R408-E410 PolarHBondContact O-N 3.48Å; E410-L415 WeakPolarHBondContact O-CA 3.49Å; E410-L415 PolarHBondContact O-N 2.76Å; E410-V416 PolarHBondContact O-N 3.44Å; E410-R730 VanDerWaalsContact CD-NE 3.31Å; E410-R730 HydrophobicContact CG-CG 3.7Å; E410-R730 WeakPolarHBondContact CG-O 3.29Å; E410-R730 IonicContact OE1-NE 3.95Å; E410-R730 IonicContact OE2-CZ 3.18Å; E410-R730 VanDerWaalsContact OE2-CZ 3.26Å; E410-R730 IonicContact OE2-NE 2.69Å; E410-R730 PolarHBondContact OE2-NE 3.46Å; E410-R730 IonicContact OE2-NH2 2.76Å; E410-R730 PolarHBondContact OE2-NH2 2.87Å
411	Y	86.9	Confident	81.3	Confident	28 Å²	28	47.6 Å²	47.6	11%	0.11	21%	0.214	C	C	.	.	H	α-helix	trans	-79.6	-56.1	173.2	178.9	-105	0	0	0	111.7	M157 R408 L409 W413 D414 V416 V866 R869 I870 E873	M157-Y411 VanDerWaalsContact CE-OH 3.3Å; M157-Y411 WeakPolarHBondContact CE-OH 3.1Å; R408-Y411 WeakPolarHBondContact O-CB 3.24Å; R408-Y411 PolarHBondContact O-N 3.28Å; R408-Y411 VanDerWaalsContact O-N 3.17Å; L409-Y411 PolarHBondContact O-N 3.13Å; Y411-W413 PolarHBondContact O-N 3.06Å; Y411-D414 PolarHBondContact O-N 3.01Å; Y411-D414 VanDerWaalsContact O-N 3.15Å; Y411-V416 HydrophobicContact CD2-CG2 4.39Å; Y411-V866 HydrophobicContact CG-CG1 4.17Å; Y411-R869 HydrophobicContact CE1-CB 3.87Å; Y411-R869 HydrophobicContact CE1-CG 4.46Å; Y411-R869 HydrophobicContact CE2-CB 4.25Å; Y411-I870 HydrophobicContact CD2-CD1 4.14Å; Y411-I870 HydrophobicContact CD2-CG1 3.39Å; Y411-I870 HydrophobicContact CE2-CG1 3.79Å; Y411-I870 HydrophobicContact CG-CG1 4.3Å; Y411-E873 WeakPolarHBondContact CE2-OE2 3.23Å
412	E	85.4	Confident	79.5	Confident	84 Å²	84	46.1 Å²	46.1	39%	0.393	21%	0.208	S	C	.	.	H	α-helix	trans	-56.3	-20.7	179.9	-69.4	167.6	174.2	0	0	113.2	R405 R408 L409	R405-E412 IonicContact NH1-OE2 3.49Å; R405-E412 PolarHBondContact NH1-OE2 3.34Å; R408-E412 WeakPolarHBondContact CD-OE1 3.41Å; R408-E412 HydrophobicContact CG-CG 4.25Å; R408-E412 WeakPolarHBondContact CG-OE1 3.38Å; R408-E412 WeakPolarHBondContact O-CG 3.37Å; R408-E412 PolarHBondContact O-N 2.97Å; L409-E412 PolarHBondContact O-N 3.1Å
413	W	87.5	Confident	77.5	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	12.1	-178.4	-62.5	-10.2	0	0	0	116.3	L290 N291 K294 E299 G302 I303 A306 L409 Y411 L415	L290-W413 HydrophobicContact CB-CZ2 4.22Å; N291-W413 PolarHBondContact OD1-NE1 2.94Å; K294-W413 HydrophobicContact CD-CB 4.33Å; K294-W413 HydrophobicContact CD-CD2 4.39Å; K294-W413 HydrophobicContact CD-CG 3.83Å; K294-W413 HydrophobicContact CG-CD2 4.21Å; K294-W413 HydrophobicContact CG-CG 4.15Å; E299-W413 HydrophobicContact CB-CE3 4.35Å; G302-W413 VanDerWaalsContact C-CH2 3.41Å; I303-W413 HydrophobicContact CB-CZ3 3.99Å; I303-W413 HydrophobicContact CD1-CZ3 4.03Å; A306-W413 HydrophobicContact CB-CH2 4.29Å; L409-W413 HydrophobicContact CB-CE3 4.41Å; L409-W413 HydrophobicContact CB-CZ3 4.49Å; L409-W413 HydrophobicContact CD1-CH2 4.48Å; L409-W413 HydrophobicContact CD2-CH2 4.15Å; L409-W413 HydrophobicContact CD2-CZ2 3.77Å; L409-W413 VanDerWaalsContact O-CB 3.23Å; L409-W413 WeakPolarHBondContact O-CB 3.11Å; L409-W413 PolarHBondContact O-N 3.27Å; Y411-W413 PolarHBondContact O-N 3.06Å; W413-L415 HydrophobicContact CB-CD1 3.97Å; W413-L415 HydrophobicContact CB-CG 4.05Å; W413-L415 HydrophobicContact CE3-CD1 4.32Å; W413-L415 WeakPolarHBondContact O-CG 3.4Å
414	D	86.2	Confident	75.5	Confident	40 Å²	40	53.6 Å²	53.6	21%	0.214	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	40.1	174.9	-41.3	-88.8	0	0	0	113.6	K149 T187 K294 Y411 K728	K149-D414 HydrophobicContact CD-CB 4.27Å; T187-D414 WeakPolarHBondContact CB-OD1 3.33Å; T187-D414 WeakPolarHBondContact CG2-OD1 3.34Å; T187-D414 PolarHBondContact OG1-OD1 3.23Å; K294-D414 IonicContact NZ-OD2 2.7Å; K294-D414 PolarHBondContact NZ-OD2 3.42Å; Y411-D414 PolarHBondContact O-N 3.01Å; Y411-D414 VanDerWaalsContact O-N 3.15Å; D414-K728 PolarHBondContact O-NZ 2.94Å
415	L	83.8	Confident	73.8	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	24%	0.238	C	C	.	.			trans	-113.4	3.2	-173.1	-54.9	177.7	0	0	0	114.3	E299 E410 W413 D417 F418 K728 A729	E299-L415 HydrophobicContact CB-CD1 4.22Å; E299-L415 HydrophobicContact CG-CD1 4.47Å; E299-L415 HydrophobicContact CG-CD2 4.36Å; E410-L415 WeakPolarHBondContact O-CA 3.49Å; E410-L415 PolarHBondContact O-N 2.76Å; W413-L415 HydrophobicContact CB-CD1 3.97Å; W413-L415 HydrophobicContact CB-CG 4.05Å; W413-L415 HydrophobicContact CE3-CD1 4.32Å; W413-L415 WeakPolarHBondContact O-CG 3.4Å; L415-D417 PolarHBondContact O-N 2.95Å; L415-F418 WeakPolarHBondContact O-CB 3.44Å; L415-F418 PolarHBondContact O-N 3.23Å; L415-K728 HydrophobicContact CD2-CB 4.26Å; L415-K728 HydrophobicContact CD2-CD 3.68Å; L415-K728 HydrophobicContact CD2-CG 3.89Å; L415-A729 WeakPolarHBondContact CD1-O 3.28Å
416	V	76.4	Confident	72.6	Confident	34 Å²	34	50.5 Å²	50.5	21%	0.206	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-45.3	-174.5	-179.1	0	0	0	0	113.2	E410 Y411 I870	E410-V416 PolarHBondContact O-N 3.44Å; Y411-V416 HydrophobicContact CD2-CG2 4.39Å; V416-I870 HydrophobicContact CG1-CD1 4.3Å; V416-I870 HydrophobicContact CG2-CD1 4.12Å; V416-I870 HydrophobicContact CG2-CG1 4.45Å
417	D	66.7	Low	71.7	Confident	50 Å²	50	50.4 Å²	50.4	27%	0.267	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.8	-173.2	-43.3	-70.7	0	0	0	113.3	K149 L415 E419 E420 R874	K149-D417 IonicContact NZ-OD2 3.2Å; K149-D417 PolarHBondContact NZ-OD2 2.96Å; L415-D417 PolarHBondContact O-N 2.95Å; D417-E419 PolarHBondContact O-N 2.73Å; D417-E420 PolarHBondContact O-N 2.84Å; D417-R874 IonicContact OD1-CZ 2.88Å; D417-R874 IonicContact OD1-NE 3.86Å; D417-R874 IonicContact OD1-NH2 3.23Å; D417-R874 PolarHBondContact OD1-NH2 3.34Å
418	F	59.8	Low	71.2	Confident	16 Å²	16	50.5 Å²	50.5	7%	0.07	24%	0.237	C	C	.	.	H	α-helix	trans	-54.8	-25.4	-170.5	177.9	-113.5	0	0	0	115.4	L415 Q422 K728 R730	L415-F418 WeakPolarHBondContact O-CB 3.44Å; L415-F418 PolarHBondContact O-N 3.23Å; F418-Q422 HydrophobicContact CD1-CG 4.05Å; F418-Q422 HydrophobicContact CD2-CG 3.67Å; F418-Q422 HydrophobicContact CE1-CG 3.74Å; F418-Q422 VanDerWaalsContact CE2-CD 3.45Å; F418-Q422 HydrophobicContact CE2-CG 3.3Å; F418-Q422 HydrophobicContact CG-CG 4.04Å; F418-Q422 HydrophobicContact CZ-CG 3.37Å; F418-Q422 VanDerWaalsContact O-CB 3.27Å; F418-Q422 WeakPolarHBondContact O-CB 3.41Å; F418-Q422 WeakPolarHBondContact O-CG 3.41Å; F418-Q422 PolarHBondContact O-N 3.26Å; F418-K728 HydrophobicContact CD2-CB 4.14Å; F418-K728 HydrophobicContact CD2-CD 3.79Å; F418-K728 HydrophobicContact CE2-CB 3.26Å; F418-K728 HydrophobicContact CE2-CD 3.65Å; F418-K728 HydrophobicContact CE2-CG 4.05Å; F418-K728 HydrophobicContact CZ-CB 3.51Å; F418-R730 HydrophobicContact CD1-CB 3.96Å; F418-R730 HydrophobicContact CE1-CB 4.47Å
419	E	54.3	Low	70.6	Confident	96 Å²	96	47.4 Å²	47.4	45%	0.449	23%	0.229	S	C	.	.	H	α-helix	trans	-80.7	-29.4	-168.5	-164.1	156.8	-174.9	0	0	113.3	D417 Q423 R730	D417-E419 PolarHBondContact O-N 2.73Å; E419-Q423 VanDerWaalsContact O-CG 3.26Å; E419-Q423 WeakPolarHBondContact O-CG 3.33Å; E419-Q423 PolarHBondContact O-NE2 3.49Å; E419-R730 IonicContact OE2-CZ 3.97Å; E419-R730 IonicContact OE2-NH1 2.65Å; E419-R730 PolarHBondContact OE2-NH1 3.24Å
420	E	53.6	Low	70.1	Confident	156 Å²	156	50.1 Å²	50.1	73%	0.729	24%	0.242	S	C	*	.	H	α-helix	trans	-79.4	-42.5	173.1	-62.9	-175.3	171.4	0	0	110.6	D417	D417-E420 PolarHBondContact O-N 2.84Å
421	E	51.6	Low	69.8	Low	39 Å²	39	50 Å²	50	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-48.6	176	-62.5	170.7	171.1	0	0	112.1	L425	E421-L425 WeakPolarHBondContact O-CB 3.5Å; E421-L425 WeakPolarHBondContact O-CG 3.49Å; E421-L425 PolarHBondContact O-N 2.97Å
422	Q	54.1	Low	69.3	Low	36 Å²	36	51.9 Å²	51.9	17%	0.168	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-39.3	-177	-80.6	-106.9	-56.5	0	0	114.2	F418 Q424 L425 Q426	F418-Q422 HydrophobicContact CD1-CG 4.05Å; F418-Q422 HydrophobicContact CD2-CG 3.67Å; F418-Q422 HydrophobicContact CE1-CG 3.74Å; F418-Q422 VanDerWaalsContact CE2-CD 3.45Å; F418-Q422 HydrophobicContact CE2-CG 3.3Å; F418-Q422 HydrophobicContact CG-CG 4.04Å; F418-Q422 HydrophobicContact CZ-CG 3.37Å; F418-Q422 VanDerWaalsContact O-CB 3.27Å; F418-Q422 WeakPolarHBondContact O-CB 3.41Å; F418-Q422 WeakPolarHBondContact O-CG 3.41Å; F418-Q422 PolarHBondContact O-N 3.26Å; Q422-Q424 PolarHBondContact O-N 3.19Å; Q422-L425 PolarHBondContact O-N 3.24Å; Q422-Q426 PolarHBondContact O-N 2.82Å; Q422-Q426 VanDerWaalsContact O-N 3.14Å
423	Q	53	Low	68.9	Low	115 Å²	115	50.2 Å²	50.2	54%	0.537	25%	0.245	S	C	.	.	H	α-helix	trans	-67.3	-21.7	-173.8	-76.5	-175.2	46.5	0	0	113.2	E419 K549	E419-Q423 VanDerWaalsContact O-CG 3.26Å; E419-Q423 WeakPolarHBondContact O-CG 3.33Å; E419-Q423 PolarHBondContact O-NE2 3.49Å; Q423-K549 PolarHBondContact O-NZ 3.05Å; Q423-K549 VanDerWaalsContact O-NZ 3.14Å
424	Q	50.1	Low	68.5	Low	98 Å²	98	54.6 Å²	54.6	46%	0.458	26%	0.264	S	S	.	.	H	α-helix	trans	-91.1	-50.2	174.7	-57.2	-177.4	23	0	0	111	Q422	Q422-Q424 PolarHBondContact O-N 3.19Å
425	L	56.6	Low	68.4	Low	46 Å²	46	52.9 Å²	52.9	24%	0.241	26%	0.255	C	S	.	.	H	α-helix	trans	-88.5	-19	-165.1	-61.7	171.6	0	0	0	116.2	R222 E421 Q422	R222-L425 PolarHBondContact NH2-O 2.73Å; E421-L425 WeakPolarHBondContact O-CB 3.5Å; E421-L425 WeakPolarHBondContact O-CG 3.49Å; E421-L425 PolarHBondContact O-N 2.97Å; Q422-L425 PolarHBondContact O-N 3.24Å
426	Q	65.2	Low	68	Low	69 Å²	69	58.6 Å²	58.6	32%	0.322	29%	0.29	S	S	.	.			trans	-121.2	53.7	-173.1	-62	-162.9	11.7	0	0	115	Q422	Q422-Q426 PolarHBondContact O-N 2.82Å; Q422-Q426 VanDerWaalsContact O-N 3.14Å
427	I	73.4	Confident	68.3	Low	19 Å²	19	60.6 Å²	60.6	10%	0.097	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-64.6	138.9	163.2	-50	-174.3	0	0	0	109.5	F431 E432 K549	I427-F431 HydrophobicContact CG2-CB 4.13Å; I427-F431 HydrophobicContact CG2-CD1 3.73Å; I427-F431 HydrophobicContact CG2-CG 4.26Å; I427-E432 HydrophobicContact CB-CG 4.42Å; I427-E432 HydrophobicContact CG2-CG 3.8Å; I427-K549 HydrophobicContact CG2-CG 4.22Å
428	R	81.4	Confident	69.1	Low	12 Å²	12	65.1 Å²	65.1	5%	0.045	31%	0.313	C	S	.	.			trans	-65.9	132.2	172.5	-77.2	178.9	70.6	-179	5	109.7	E430 F431 E432 D544 K549 Y554	R428-E430 IonicContact CZ-OE1 3.58Å; R428-E430 IonicContact NE-OE1 2.7Å; R428-E430 IonicContact NH2-OE1 2.77Å; R428-E430 PolarHBondContact NH2-OE1 3.31Å; R428-E430 IonicContact NH2-OE2 3.56Å; R428-E430 PolarHBondContact NH2-OE2 3.29Å; R428-E430 PolarHBondContact O-N 3.01Å; R428-E430 VanDerWaalsContact O-N 3.15Å; R428-F431 HydrophobicContact CB-CB 4.2Å; R428-F431 WeakPolarHBondContact O-CA 3.47Å; R428-F431 VanDerWaalsContact O-CB 3.29Å; R428-F431 WeakPolarHBondContact O-CB 3.43Å; R428-F431 PolarHBondContact O-N 3.22Å; R428-E432 PolarHBondContact O-N 3.35Å; R428-D544 IonicContact NH1-OD1 3.52Å; R428-D544 IonicContact NH2-OD1 3.47Å; R428-D544 PolarHBondContact NH2-OD1 3.21Å; R428-K549 PolarHBondContact N-O 3.04Å; R428-Y554 VanDerWaalsContact NH1-CG 3.28Å
429	P	77.6	Confident	70.3	Confident	34 Å²	34	71.7 Å²	71.7	22%	0.221	34%	0.337	C	S	.	.	H	α-helix	trans	-53.4	-37.8	172.5	-28.8	35.7	0	0	0	112.8	F431 E432 I433	P429-F431 VanDerWaalsContact C-N 3.26Å; P429-F431 PolarHBondContact O-N 3.25Å; P429-E432 WeakPolarHBondContact O-CB 3.44Å; P429-E432 PolarHBondContact O-N 2.91Å; P429-I433 WeakPolarHBondContact O-CD1 3.41Å; P429-I433 WeakPolarHBondContact O-CG1 3.25Å; P429-I433 PolarHBondContact O-N 3.42Å
430	E	78.8	Confident	71.7	Confident	61 Å²	61	72.4 Å²	72.4	29%	0.285	34%	0.34	S	S	.	.	H	α-helix	trans	-59.6	-31.9	174	-67.2	174.4	-110.6	0	0	114.4	R428 K434	R428-E430 IonicContact CZ-OE1 3.58Å; R428-E430 IonicContact NE-OE1 2.7Å; R428-E430 IonicContact NH2-OE1 2.77Å; R428-E430 PolarHBondContact NH2-OE1 3.31Å; R428-E430 IonicContact NH2-OE2 3.56Å; R428-E430 PolarHBondContact NH2-OE2 3.29Å; R428-E430 PolarHBondContact O-N 3.01Å; R428-E430 VanDerWaalsContact O-N 3.15Å; E430-K434 HydrophobicContact CB-CD 4.36Å; E430-K434 WeakPolarHBondContact O-CB 3.36Å; E430-K434 WeakPolarHBondContact O-CD 3.49Å; E430-K434 WeakPolarHBondContact O-CG 3.33Å; E430-K434 PolarHBondContact O-N 3.09Å; E430-K434 IonicContact OE2-NZ 3.62Å; E430-K434 PolarHBondContact OE2-NZ 2.64Å
431	F	83.4	Confident	73.1	Confident	14 Å²	14	66.8 Å²	66.8	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-71.6	-43.7	176.3	-175.8	-87.3	0	0	0	110.2	I427 R428 P429 I433 K434 C435 P449 I547 P548 K549	I427-F431 HydrophobicContact CG2-CB 4.13Å; I427-F431 HydrophobicContact CG2-CD1 3.73Å; I427-F431 HydrophobicContact CG2-CG 4.26Å; R428-F431 HydrophobicContact CB-CB 4.2Å; R428-F431 WeakPolarHBondContact O-CA 3.47Å; R428-F431 VanDerWaalsContact O-CB 3.29Å; R428-F431 WeakPolarHBondContact O-CB 3.43Å; R428-F431 PolarHBondContact O-N 3.22Å; P429-F431 VanDerWaalsContact C-N 3.26Å; P429-F431 PolarHBondContact O-N 3.25Å; F431-I433 VanDerWaalsContact C-N 3.28Å; F431-I433 PolarHBondContact O-N 2.79Å; F431-K434 PolarHBondContact O-N 3.28Å; F431-C435 VanDerWaalsContact O-CB 3.25Å; F431-C435 WeakPolarHBondContact O-CB 2.89Å; F431-C435 PolarHBondContact O-N 3.44Å; F431-C435 PolarHBondContact O-SG 3.04Å; F431-C435 VanDerWaalsContact O-SG 3.42Å; F431-P449 HydrophobicContact CD1-CB 4.39Å; F431-P449 HydrophobicContact CD1-CG 4.03Å; F431-P449 HydrophobicContact CE1-CB 4.14Å; F431-P449 HydrophobicContact CE1-CG 3.98Å; F431-P449 WeakPolarHBondContact CE1-O 3.14Å; F431-I547 HydrophobicContact CD2-CG2 3.91Å; F431-I547 WeakPolarHBondContact CD2-O 3.42Å; F431-I547 WeakPolarHBondContact CE2-O 3.32Å; F431-P548 WeakPolarHBondContact CD2-O 3.35Å; F431-K549 HydrophobicContact CD1-CG 4.24Å; F431-K549 HydrophobicContact CD2-CB 4.32Å; F431-K549 HydrophobicContact CE1-CG 4.02Å; F431-K549 HydrophobicContact CE2-CB 4.11Å; F431-K549 HydrophobicContact CE2-CG 4.47Å; F431-K549 HydrophobicContact CZ-CB 4.23Å; F431-K549 HydrophobicContact CZ-CG 4.15Å
432	E	77.6	Confident	74.6	Confident	68 Å²	68	73.7 Å²	73.7	32%	0.318	35%	0.345	S	S	.	.	H	α-helix	trans	-61	-34.2	174.5	-57.8	174.3	-171.2	0	0	112.5	R222 I427 R428 P429 P449	R222-E432 IonicContact CZ-OE1 3.57Å; R222-E432 IonicContact NH1-OE1 3.31Å; R222-E432 PolarHBondContact NH1-OE1 3.25Å; R222-E432 IonicContact NH1-OE2 2.94Å; I427-E432 HydrophobicContact CB-CG 4.42Å; I427-E432 HydrophobicContact CG2-CG 3.8Å; R428-E432 PolarHBondContact O-N 3.35Å; P429-E432 WeakPolarHBondContact O-CB 3.44Å; P429-E432 PolarHBondContact O-N 2.91Å; E432-P449 HydrophobicContact CG-CG 4.48Å
433	I	77.1	Confident	75.8	Confident	50 Å²	50	78.5 Å²	78.5	26%	0.256	37%	0.37	S	S	.	.	H	α-helix	trans	-78.6	-46.9	177.6	-62.4	161.2	0	0	0	111.5	R233 E234 T236 P429 F431	R233-I433 WeakPolarHBondContact O-CG1 3.2Å; E234-I433 HydrophobicContact CG-CG2 4.3Å; T236-I433 WeakPolarHBondContact OG1-CD1 3.4Å; P429-I433 WeakPolarHBondContact O-CD1 3.41Å; P429-I433 WeakPolarHBondContact O-CG1 3.25Å; P429-I433 PolarHBondContact O-N 3.42Å; F431-I433 VanDerWaalsContact C-N 3.28Å; F431-I433 PolarHBondContact O-N 2.79Å
434	K	79.1	Confident	77	Confident	92 Å²	92	75.2 Å²	75.2	40%	0.4	36%	0.358	S	S	.	.	H	α-helix	trans	-78	-18.8	-174.3	-67.1	165.1	-179.9	169.1	0	113.6	E430 F431 I547	E430-K434 HydrophobicContact CB-CD 4.36Å; E430-K434 WeakPolarHBondContact O-CB 3.36Å; E430-K434 WeakPolarHBondContact O-CD 3.49Å; E430-K434 WeakPolarHBondContact O-CG 3.33Å; E430-K434 PolarHBondContact O-N 3.09Å; E430-K434 IonicContact OE2-NZ 3.62Å; E430-K434 PolarHBondContact OE2-NZ 2.64Å; F431-K434 PolarHBondContact O-N 3.28Å; K434-I547 HydrophobicContact CB-CD1 4.06Å; K434-I547 HydrophobicContact CB-CG2 4.14Å; K434-I547 HydrophobicContact CD-CD1 4.12Å; K434-I547 HydrophobicContact CD-CG1 4.35Å; K434-I547 HydrophobicContact CD-CG2 4.06Å
435	C	82.3	Confident	78.6	Confident	5 Å²	5	78.1 Å²	78.1	3%	0.034	37%	0.369	C	S	.	.			trans	-99.4	103	-179.3	-66.4	0	0	0	0	112.7	F431 P449	F431-C435 VanDerWaalsContact O-CB 3.25Å; F431-C435 WeakPolarHBondContact O-CB 2.89Å; F431-C435 PolarHBondContact O-N 3.44Å; F431-C435 PolarHBondContact O-SG 3.04Å; F431-C435 VanDerWaalsContact O-SG 3.42Å; C435-P449 HydrophobicContact CB-CB 3.93Å
436	T	77.1	Confident	79.7	Confident	121 Å²	121	82.2 Å²	82.2	74%	0.742	39%	0.387	S	S	*	.			trans	-68.4	-35.9	175.8	-38.7	0	0	0	0	113.1
437	N	82.6	Confident	80.5	Confident	76 Å²	76	83.7 Å²	83.7	41%	0.406	40%	0.395	S	S	.	.			trans	-80.5	137.8	-172.7	-63.2	-3	0	0	0	111.1	P449 Y450	N437-P449 WeakPolarHBondContact O-CA 3.25Å; N437-Y450 HydrophobicContact CB-CD1 4.02Å; N437-Y450 HydrophobicContact CB-CE1 3.66Å; N437-Y450 PolarHBondContact O-N 3.49Å
438	R	82.8	Confident	80.9	Confident	145 Å²	145	84.4 Å²	84.4	55%	0.547	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.7	174.3	-72.9	-174.7	169	-140.4	5.3	112.3	M447 E448 Y450	R438-M447 HydrophobicContact CB-CE 4.04Å; R438-M447 WeakPolarHBondContact CD-O 3.48Å; R438-M447 PolarHBondContact NH1-O 3.36Å; R438-E448 CarbonylContact C-O 3.55Å; R438-E448 WeakPolarHBondContact CA-O 3.49Å; R438-E448 WeakPolarHBondContact CB-O 3.29Å; R438-Y450 WeakPolarHBondContact O-CE1 3.42Å
439	R	84.4	Confident	81	Confident	154 Å²	154	84.6 Å²	84.6	58%	0.581	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.6	139.3	179.2	174.2	-179.9	-178.8	-174	4.4	109.1	N441 E448 Y450	R439-N441 PolarHBondContact O-N 3.09Å; R439-E448 PolarHBondContact N-O 3.04Å; R439-E448 PolarHBondContact O-N 3.08Å; R439-Y450 HydrophobicContact CB-CD1 3.45Å; R439-Y450 VanDerWaalsContact CB-CD1 3.45Å; R439-Y450 HydrophobicContact CB-CE1 3.7Å; R439-Y450 HydrophobicContact CB-CG 4.04Å
440	E	85.2	Confident	81.4	Confident	110 Å²	110	87.3 Å²	87.3	51%	0.514	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	124.2	170.8	-169	-175.2	176.3	0	0	110.5	E446 M447	E440-E446 WeakPolarHBondContact CA-O 3.44Å; E440-M447 HydrophobicContact CB-SD 3.87Å; E440-M447 PolarHBondContact N-SD 3.49Å; E440-M447 VanDerWaalsContact N-SD 3.4Å
441	N	81.2	Confident	81.7	Confident	39 Å²	39	86 Å²	86	21%	0.209	40%	0.402	C	S	.	.			trans	-75.7	124.8	169.2	179.1	-9.3	0	0	0	108.9	R439 I443 K445 E446 E448	R439-N441 PolarHBondContact O-N 3.09Å; N441-I443 PolarHBondContact O-N 2.97Å; N441-I443 VanDerWaalsContact O-N 3.11Å; N441-I443 PolarHBondContact OD1-N 2.85Å; N441-K445 WeakPolarHBondContact O-CA 3.23Å; N441-K445 PolarHBondContact O-N 3.36Å; N441-E446 PolarHBondContact N-O 3.29Å; N441-E448 HydrophobicContact CB-CG 4.46Å; N441-E448 WeakPolarHBondContact CB-OE1 3.44Å; N441-E448 PolarHBondContact ND2-OE1 2.65Å
442	K	84.8	Confident	82	Confident	184 Å²	184	87.3 Å²	87.3	80%	0.8	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21.3	179.7	-70.8	-168	171.5	-165.7	0	114.3
443	I	79.5	Confident	82.4	Confident	137 Å²	137	89.8 Å²	89.8	70%	0.703	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-58	-176.2	-54.8	178	0	0	0	110	N441	N441-I443 PolarHBondContact O-N 2.97Å; N441-I443 VanDerWaalsContact O-N 3.11Å; N441-I443 PolarHBondContact OD1-N 2.85Å
444	T	77.6	Confident	82.9	Confident	46 Å²	46	93 Å²	93	28%	0.282	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-15	-176.2	60.9	0	0	0	0	113.9	E446	T444-E446 PolarHBondContact O-N 2.98Å; T444-E446 PolarHBondContact OG1-N 2.84Å
445	K	82.9	Confident	83.4	Confident	159 Å²	159	90.2 Å²	90.2	69%	0.691	45%	0.446	S	S	*	.			trans	59	14.8	-167.2	-58.1	-175.8	179.8	177.8	0	114.5	N441	N441-K445 WeakPolarHBondContact O-CA 3.23Å; N441-K445 PolarHBondContact O-N 3.36Å
446	E	79.8	Confident	83.7	Confident	131 Å²	131	94.6 Å²	94.6	61%	0.612	46%	0.464	S	S	*	.			trans	-89.2	150.6	178.2	-63.1	-164.6	142.9	0	0	112.9	E440 N441 T444 E448	E440-E446 WeakPolarHBondContact CA-O 3.44Å; N441-E446 PolarHBondContact N-O 3.29Å; T444-E446 PolarHBondContact O-N 2.98Å; T444-E446 PolarHBondContact OG1-N 2.84Å; E446-E448 PolarHBondContact O-N 3.09Å; E446-E448 VanDerWaalsContact O-N 3.1Å
447	M	81.8	Confident	84.3	Confident	101 Å²	101	92.2 Å²	92.2	50%	0.498	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	75.3	-178.9	-75.5	-68.4	-75.5	0	0	112.1	R438 E440	R438-M447 HydrophobicContact CB-CE 4.04Å; R438-M447 WeakPolarHBondContact CD-O 3.48Å; R438-M447 PolarHBondContact NH1-O 3.36Å; E440-M447 HydrophobicContact CB-SD 3.87Å; E440-M447 PolarHBondContact N-SD 3.49Å; E440-M447 VanDerWaalsContact N-SD 3.4Å
448	E	81.7	Confident	84.8	Confident	34 Å²	34	91.6 Å²	91.6	16%	0.159	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	148.4	178.1	-77.7	-170.3	-126.5	0	0	113.6	R438 R439 N441 E446 K549	R438-E448 CarbonylContact C-O 3.55Å; R438-E448 WeakPolarHBondContact CA-O 3.49Å; R438-E448 WeakPolarHBondContact CB-O 3.29Å; R439-E448 PolarHBondContact N-O 3.04Å; R439-E448 PolarHBondContact O-N 3.08Å; N441-E448 HydrophobicContact CB-CG 4.46Å; N441-E448 WeakPolarHBondContact CB-OE1 3.44Å; N441-E448 PolarHBondContact ND2-OE1 2.65Å; E446-E448 PolarHBondContact O-N 3.09Å; E446-E448 VanDerWaalsContact O-N 3.1Å; E448-K549 WeakPolarHBondContact OE2-CE 3.02Å; E448-K549 IonicContact OE2-NZ 3.25Å; E448-K549 PolarHBondContact OE2-NZ 3.23Å
449	P	84	Confident	85.3	Confident	15 Å²	15	88.2 Å²	88.2	10%	0.097	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	143.2	165.9	28.6	-32	0	0	0	111.4	F431 E432 C435 N437	F431-P449 HydrophobicContact CD1-CB 4.39Å; F431-P449 HydrophobicContact CD1-CG 4.03Å; F431-P449 HydrophobicContact CE1-CB 4.14Å; F431-P449 HydrophobicContact CE1-CG 3.98Å; F431-P449 WeakPolarHBondContact CE1-O 3.14Å; E432-P449 HydrophobicContact CG-CG 4.48Å; C435-P449 HydrophobicContact CB-CB 3.93Å; N437-P449 WeakPolarHBondContact O-CA 3.25Å
450	Y	86	Confident	85.6	Confident	92 Å²	92	87.1 Å²	87.1	36%	0.361	44%	0.444	S	S	.	.			trans	-144.6	157.8	175.1	85.7	-74.8	0	0	0	113.4	N437 R438 R439	N437-Y450 HydrophobicContact CB-CD1 4.02Å; N437-Y450 HydrophobicContact CB-CE1 3.66Å; N437-Y450 PolarHBondContact O-N 3.49Å; R438-Y450 WeakPolarHBondContact O-CE1 3.42Å; R439-Y450 HydrophobicContact CB-CD1 3.45Å; R439-Y450 VanDerWaalsContact CB-CD1 3.45Å; R439-Y450 HydrophobicContact CB-CE1 3.7Å; R439-Y450 HydrophobicContact CB-CG 4.04Å
451	L	85.8	Confident	86	Confident	33 Å²	33	85.5 Å²	85.5	17%	0.173	44%	0.444	C	S	.	.			trans	-105.7	130.2	174.6	-169.9	73.9	0	0	0	110.1	K456 R459	L451-K456 HydrophobicContact CD2-CB 3.94Å; L451-K456 HydrophobicContact CD2-CG 4.3Å; L451-R459 VanDerWaalsContact CD1-NH1 3.34Å
452	P	88.6	Confident	86.6	Confident	42 Å²	42	88.4 Å²	88.4	27%	0.273	46%	0.455	S	S	.	.			trans	-66.8	141.1	178.6	26.3	-33.3	0	0	0	112	T454 S455 K456	P452-T454 VanDerWaalsContact C-N 3.3Å; P452-T454 PolarHBondContact O-N 3.27Å; P452-S455 PolarHBondContact O-N 3.05Å; P452-S455 VanDerWaalsContact O-N 3.1Å; P452-K456 PolarHBondContact O-N 3.13Å
453	V	86.9	Confident	87	Confident	120 Å²	120	79.8 Å²	79.8	73%	0.727	42%	0.418	S	S	*	.	H	α-helix	trans	-59.3	-37.7	-170.5	-177.8	0	0	0	0	112.7	S455 K456 C457	V453-S455 PolarHBondContact O-N 2.84Å; V453-K456 PolarHBondContact O-N 3.38Å; V453-C457 VanDerWaalsContact O-CB 3.31Å; V453-C457 WeakPolarHBondContact O-CB 3.39Å; V453-C457 PolarHBondContact O-N 3.14Å
454	T	87.9	Confident	87.7	Confident	116 Å²	116	74.6 Å²	74.6	71%	0.712	40%	0.398	S	S	*	.	H	α-helix	trans	-60.3	-45.1	176.6	49.6	0	0	0	0	112.2	P452 C457 A458	P452-T454 VanDerWaalsContact C-N 3.3Å; P452-T454 PolarHBondContact O-N 3.27Å; T454-C457 PolarHBondContact O-N 3.36Å; T454-A458 PolarHBondContact O-N 3.36Å
455	S	88.1	Confident	88.5	Confident	35 Å²	35	75.2 Å²	75.2	25%	0.245	41%	0.408	C	S	.	.	H	α-helix	trans	-69	-39.6	176.3	-168.7	0	0	0	0	112	P452 V453 C457 R459	P452-S455 PolarHBondContact O-N 3.05Å; P452-S455 VanDerWaalsContact O-N 3.1Å; V453-S455 PolarHBondContact O-N 2.84Å; S455-C457 VanDerWaalsContact C-N 3.35Å; S455-C457 PolarHBondContact O-N 2.76Å; S455-R459 WeakPolarHBondContact O-CB 3.32Å; S455-R459 VanDerWaalsContact O-CG 3.32Å; S455-R459 WeakPolarHBondContact O-CG 3.44Å; S455-R459 PolarHBondContact O-N 3.13Å; S455-R459 VanDerWaalsContact O-N 3.13Å
456	K	88.3	Confident	88.9	Confident	96 Å²	96	68.8 Å²	68.8	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-59.5	-45.3	173.9	-168.3	177.5	-179.5	177.2	0	111.2	L451 P452 V453 F460	L451-K456 HydrophobicContact CD2-CB 3.94Å; L451-K456 HydrophobicContact CD2-CG 4.3Å; P452-K456 PolarHBondContact O-N 3.13Å; V453-K456 PolarHBondContact O-N 3.38Å; K456-F460 WeakPolarHBondContact O-CB 3.3Å; K456-F460 PolarHBondContact O-N 2.88Å
457	C	91	Very high	89.6	Confident	71 Å²	71	63.3 Å²	63.3	48%	0.48	36%	0.358	S	S	.	.	H	α-helix	trans	-63.6	-52.2	178.6	-172.2	0	0	0	0	111.8	V453 T454 S455 R459 F460 C461	V453-C457 VanDerWaalsContact O-CB 3.31Å; V453-C457 WeakPolarHBondContact O-CB 3.39Å; V453-C457 PolarHBondContact O-N 3.14Å; T454-C457 PolarHBondContact O-N 3.36Å; S455-C457 VanDerWaalsContact C-N 3.35Å; S455-C457 PolarHBondContact O-N 2.76Å; C457-R459 VanDerWaalsContact C-N 3.31Å; C457-R459 PolarHBondContact O-N 3.47Å; C457-F460 PolarHBondContact O-N 3.01Å; C457-C461 PolarHBondContact O-N 3.21Å; C457-C461 PolarHBondContact O-SG 3.3Å; C457-C461 VanDerWaalsContact O-SG 3.37Å
458	A	92.3	Very high	90.1	Very high	64 Å²	64	64.1 Å²	64.1	53%	0.529	36%	0.363	S	S	.	.	H	α-helix	trans	-57.1	-42	180	0	0	0	0	0	112.8	T454 C461 F462	T454-A458 PolarHBondContact O-N 3.36Å; A458-C461 PolarHBondContact O-N 3.48Å; A458-F462 PolarHBondContact O-N 2.81Å
459	R	92.7	Very high	90.7	Very high	73 Å²	73	68.3 Å²	68.3	28%	0.275	38%	0.381	S	S	.	.	H	α-helix	trans	-65.7	-39.3	175.1	-71.4	170.9	-176.5	173.7	4.7	112.6	L451 S455 C457 F462 S463 M545 I547	L451-R459 VanDerWaalsContact CD1-NH1 3.34Å; S455-R459 WeakPolarHBondContact O-CB 3.32Å; S455-R459 VanDerWaalsContact O-CG 3.32Å; S455-R459 WeakPolarHBondContact O-CG 3.44Å; S455-R459 PolarHBondContact O-N 3.13Å; S455-R459 VanDerWaalsContact O-N 3.13Å; C457-R459 VanDerWaalsContact C-N 3.31Å; C457-R459 PolarHBondContact O-N 3.47Å; R459-F462 PolarHBondContact O-N 2.59Å; R459-S463 VanDerWaalsContact O-CB 3.28Å; R459-S463 WeakPolarHBondContact O-CB 3.49Å; R459-S463 PolarHBondContact O-N 2.89Å; R459-M545 HydrophobicContact CB-CE 4.06Å; R459-M545 HydrophobicContact CG-CE 4.46Å; R459-M545 WeakPolarHBondContact O-CE 3.47Å; R459-I547 VanDerWaalsContact NH1-CD1 3.35Å
460	F	90.9	Very high	91.1	Very high	131 Å²	131	69.6 Å²	69.6	58%	0.575	38%	0.384	S	S	*	.	H	α-helix	trans	-67.8	-39.1	176.7	-170.7	-101.9	0	0	0	112.2	K456 C457 S463 G464	K456-F460 WeakPolarHBondContact O-CB 3.3Å; K456-F460 PolarHBondContact O-N 2.88Å; C457-F460 PolarHBondContact O-N 3.01Å; F460-S463 WeakPolarHBondContact O-CB 3.4Å; F460-S463 PolarHBondContact O-N 3.15Å; F460-G464 PolarHBondContact O-N 3.08Å
461	C	93.6	Very high	91.4	Very high	76 Å²	76	67.2 Å²	67.2	51%	0.514	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-44.1	173.4	-65.6	0	0	0	0	112.1	C457 A458 G464 A465	C457-C461 PolarHBondContact O-N 3.21Å; C457-C461 PolarHBondContact O-SG 3.3Å; C457-C461 VanDerWaalsContact O-SG 3.37Å; A458-C461 PolarHBondContact O-N 3.48Å; C461-G464 PolarHBondContact O-N 3.34Å; C461-A465 WeakPolarHBondContact O-CB 3.4Å; C461-A465 PolarHBondContact O-N 3.42Å
462	F	94.5	Very high	91.6	Very high	100 Å²	100	68.6 Å²	68.6	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-63.2	-41.9	175.2	-178.4	-92.9	0	0	0	112.2	A458 R459 T466 W541 M545	A458-F462 PolarHBondContact O-N 2.81Å; R459-F462 PolarHBondContact O-N 2.59Å; F462-T466 WeakPolarHBondContact O-CB 3.4Å; F462-T466 PolarHBondContact O-N 2.95Å; F462-T466 PolarHBondContact O-OG1 2.86Å; F462-W541 AromaticContact CE1-CH2 3.9Å; F462-W541 HydrophobicContact CE1-CH2 3.9Å; F462-W541 HydrophobicContact CE1-CZ3 4.05Å; F462-W541 HydrophobicContact CZ-CH2 4.27Å; F462-M545 HydrophobicContact CD1-CE 3.93Å; F462-M545 HydrophobicContact CD1-SD 3.67Å; F462-M545 HydrophobicContact CE1-SD 4.01Å
463	S	93.6	Very high	91.7	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-55.9	-56.2	172.3	170.3	0	0	0	0	111.5	R459 F460 A465 T466 V467 I542 E546 K561	R459-S463 VanDerWaalsContact O-CB 3.28Å; R459-S463 WeakPolarHBondContact O-CB 3.49Å; R459-S463 PolarHBondContact O-N 2.89Å; F460-S463 WeakPolarHBondContact O-CB 3.4Å; F460-S463 PolarHBondContact O-N 3.15Å; S463-A465 PolarHBondContact O-N 3.34Å; S463-T466 PolarHBondContact O-N 3.4Å; S463-T466 VanDerWaalsContact O-N 3.14Å; S463-V467 WeakPolarHBondContact O-CG2 3.43Å; S463-V467 PolarHBondContact O-N 3.43Å; S463-I542 WeakPolarHBondContact OG-CG2 3.34Å; S463-E546 VanDerWaalsContact CB-OE1 3.23Å; S463-E546 WeakPolarHBondContact CB-OE1 3.5Å; S463-E546 PolarHBondContact OG-OE1 3.34Å; S463-K561 WeakPolarHBondContact OG-CE 3.49Å
464	G	92.8	Very high	91.8	Very high	28 Å²	28	63.8 Å²	63.8	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-59.6	-44.1	179.3	0	0	0	0	0	113.5	F460 C461 T466 V467 I468	F460-G464 PolarHBondContact O-N 3.08Å; C461-G464 PolarHBondContact O-N 3.34Å; G464-T466 VanDerWaalsContact C-N 3.3Å; G464-T466 PolarHBondContact O-N 3.11Å; G464-V467 PolarHBondContact O-N 3.06Å; G464-I468 VanDerWaalsContact O-CG1 3.31Å; G464-I468 WeakPolarHBondContact O-CG1 3.22Å; G464-I468 PolarHBondContact O-N 3.06Å
465	A	94.5	Very high	91.8	Very high	59 Å²	59	61.5 Å²	61.5	49%	0.488	34%	0.343	S	S	.	.	H	α-helix	trans	-59.7	-40.1	175.4	0	0	0	0	0	112.3	C461 S463 I468 F469	C461-A465 WeakPolarHBondContact O-CB 3.4Å; C461-A465 PolarHBondContact O-N 3.42Å; S463-A465 PolarHBondContact O-N 3.34Å; A465-I468 PolarHBondContact O-N 3.45Å; A465-F469 WeakPolarHBondContact O-CB 3.42Å; A465-F469 PolarHBondContact O-N 3.08Å
466	T	92.9	Very high	91.8	Very high	24 Å²	24	62.6 Å²	62.6	15%	0.147	35%	0.354	C	S	.	.	H	α-helix	trans	-68.6	-39.3	177.4	-50.9	0	0	0	0	111.7	F462 S463 G464 F469 W470 V538 I542	F462-T466 WeakPolarHBondContact O-CB 3.4Å; F462-T466 PolarHBondContact O-N 2.95Å; F462-T466 PolarHBondContact O-OG1 2.86Å; S463-T466 PolarHBondContact O-N 3.4Å; S463-T466 VanDerWaalsContact O-N 3.14Å; G464-T466 VanDerWaalsContact C-N 3.3Å; G464-T466 PolarHBondContact O-N 3.11Å; T466-F469 PolarHBondContact O-N 3.5Å; T466-W470 PolarHBondContact O-N 3.09Å; T466-W470 VanDerWaalsContact O-N 3.15Å; T466-V538 HydrophobicContact CG2-CG1 4.25Å; T466-I542 HydrophobicContact CG2-CD1 3.62Å; T466-I542 HydrophobicContact CG2-CG1 4.44Å
467	V	93.3	Very high	91.7	Very high	16 Å²	16	60 Å²	60	10%	0.097	35%	0.347	C	S	.	.	H	α-helix	trans	-62.4	-45.6	174.2	175.3	0	0	0	0	111.1	S463 G464 F469 W470 I471 K561	S463-V467 WeakPolarHBondContact O-CG2 3.43Å; S463-V467 PolarHBondContact O-N 3.43Å; G464-V467 PolarHBondContact O-N 3.06Å; V467-F469 VanDerWaalsContact C-N 3.35Å; V467-F469 PolarHBondContact O-N 2.9Å; V467-W470 PolarHBondContact O-N 3.42Å; V467-I471 HydrophobicContact CG1-CD1 3.89Å; V467-I471 WeakPolarHBondContact O-CG1 3.13Å; V467-I471 PolarHBondContact O-N 3.02Å; V467-K561 HydrophobicContact CG2-CB 4.38Å; V467-K561 HydrophobicContact CG2-CD 4.13Å; V467-K561 HydrophobicContact CG2-CG 4.04Å
468	I	93.1	Very high	91.3	Very high	119 Å²	119	57.4 Å²	57.4	61%	0.61	33%	0.329	S	S	*	.	H	α-helix	trans	-61.8	-41.6	177.9	-68.6	165.1	0	0	0	111.2	G464 A465 I471 S472	G464-I468 VanDerWaalsContact O-CG1 3.31Å; G464-I468 WeakPolarHBondContact O-CG1 3.22Å; G464-I468 PolarHBondContact O-N 3.06Å; A465-I468 PolarHBondContact O-N 3.45Å; I468-I471 PolarHBondContact O-N 2.91Å; I468-S472 PolarHBondContact O-N 3.32Å
469	F	94.3	Very high	90.9	Very high	121 Å²	121	57.3 Å²	57.3	53%	0.531	32%	0.319	S	S	.	.	H	α-helix	trans	-57.8	-49.7	175	172.5	-98.9	0	0	0	112	A465 T466 V467 I471 S472 L473	A465-F469 WeakPolarHBondContact O-CB 3.42Å; A465-F469 PolarHBondContact O-N 3.08Å; T466-F469 PolarHBondContact O-N 3.5Å; V467-F469 VanDerWaalsContact C-N 3.35Å; V467-F469 PolarHBondContact O-N 2.9Å; F469-I471 VanDerWaalsContact C-N 3.34Å; F469-I471 PolarHBondContact O-N 3.31Å; F469-S472 PolarHBondContact O-N 2.94Å; F469-S472 VanDerWaalsContact O-N 3.15Å; F469-S472 PolarHBondContact O-OG 3.03Å; F469-L473 PolarHBondContact O-N 3.23Å
470	W	92.6	Very high	90.4	Very high	42 Å²	42	55.8 Å²	55.8	16%	0.159	33%	0.326	C	S	.	.	H	α-helix	trans	-66.3	-32.7	178.5	-83.3	93.7	0	0	0	113.4	T466 V467 L473 I474 L531 F534 Y535 V538 F565	T466-W470 PolarHBondContact O-N 3.09Å; T466-W470 VanDerWaalsContact O-N 3.15Å; V467-W470 PolarHBondContact O-N 3.42Å; W470-L473 HydrophobicContact CE3-CD2 3.85Å; W470-L473 HydrophobicContact CZ3-CD2 3.85Å; W470-L473 PolarHBondContact O-N 3.46Å; W470-I474 PolarHBondContact O-N 2.9Å; W470-L531 HydrophobicContact CZ3-CD2 4.24Å; W470-F534 HydrophobicContact CH2-CB 3.94Å; W470-F534 HydrophobicContact CZ3-CB 4.37Å; W470-Y535 HydrophobicContact CB-CD2 3.73Å; W470-Y535 HydrophobicContact CB-CE2 3.63Å; W470-Y535 AromaticContact CD2-CD2 3.87Å; W470-Y535 HydrophobicContact CD2-CD2 3.87Å; W470-Y535 HydrophobicContact CE3-CD2 4.16Å; W470-Y535 AromaticContact CG-CD2 3.67Å; W470-Y535 HydrophobicContact CG-CD2 3.67Å; W470-Y535 AromaticContact CG-CE2 3.87Å; W470-Y535 HydrophobicContact CG-CE2 3.87Å; W470-V538 HydrophobicContact CZ2-CG2 3.95Å; W470-F565 HydrophobicContact CB-CD2 4.14Å; W470-F565 HydrophobicContact CB-CE2 4.06Å; W470-F565 HydrophobicContact CE3-CE2 4.05Å
471	I	91.4	Very high	89.9	Confident	42 Å²	42	50.3 Å²	50.3	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-42.8	170.7	-75.3	170.3	0	0	0	111	V467 I468 F469 L473 I474 V475 M564 V568	V467-I471 HydrophobicContact CG1-CD1 3.89Å; V467-I471 WeakPolarHBondContact O-CG1 3.13Å; V467-I471 PolarHBondContact O-N 3.02Å; I468-I471 PolarHBondContact O-N 2.91Å; F469-I471 VanDerWaalsContact C-N 3.34Å; F469-I471 PolarHBondContact O-N 3.31Å; I471-L473 VanDerWaalsContact C-N 3.29Å; I471-L473 PolarHBondContact O-N 3.4Å; I471-I474 PolarHBondContact O-N 3.36Å; I471-V475 PolarHBondContact O-N 2.96Å; I471-M564 HydrophobicContact CD1-CB 4.37Å; I471-V568 HydrophobicContact CG1-CG2 4.41Å; I471-V568 HydrophobicContact CG2-CG1 4.33Å; I471-V568 HydrophobicContact CG2-CG2 4.08Å
472	S	90.9	Very high	89.1	Confident	63 Å²	63	47.5 Å²	47.5	44%	0.441	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-33.5	176.6	77.3	0	0	0	0	112.7	I468 F469 V475 A476	I468-S472 PolarHBondContact O-N 3.32Å; F469-S472 PolarHBondContact O-N 2.94Å; F469-S472 VanDerWaalsContact O-N 3.15Å; F469-S472 PolarHBondContact O-OG 3.03Å; S472-V475 PolarHBondContact O-N 3.43Å; S472-A476 PolarHBondContact O-N 2.82Å
473	L	90.8	Very high	88.3	Confident	60 Å²	60	44.1 Å²	44.1	31%	0.314	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-43.5	175.2	-174.6	66.6	0	0	0	111.8	F469 W470 I471 V475 A476 C477 L531	F469-L473 PolarHBondContact O-N 3.23Å; W470-L473 HydrophobicContact CE3-CD2 3.85Å; W470-L473 HydrophobicContact CZ3-CD2 3.85Å; W470-L473 PolarHBondContact O-N 3.46Å; I471-L473 VanDerWaalsContact C-N 3.29Å; I471-L473 PolarHBondContact O-N 3.4Å; L473-V475 PolarHBondContact O-N 2.9Å; L473-A476 PolarHBondContact O-N 3.23Å; L473-C477 PolarHBondContact O-N 3.44Å; L473-C477 PolarHBondContact O-SG 3.26Å; L473-C477 VanDerWaalsContact O-SG 3.37Å; L473-L531 HydrophobicContact CD2-CD2 4.29Å
474	I	88.9	Confident	87.7	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-55.8	-51.1	173	-70.5	162.3	0	0	0	110.4	W470 I471 A476 C477 I478 L531 F565 V568 N569	W470-I474 PolarHBondContact O-N 2.9Å; I471-I474 PolarHBondContact O-N 3.36Å; I474-A476 VanDerWaalsContact C-N 3.31Å; I474-A476 PolarHBondContact O-N 3.42Å; I474-C477 WeakPolarHBondContact O-CB 3.48Å; I474-C477 PolarHBondContact O-N 3.22Å; I474-C477 VanDerWaalsContact O-N 3.09Å; I474-I478 HydrophobicContact CG2-CD1 3.48Å; I474-I478 VanDerWaalsContact CG2-CD1 3.48Å; I474-I478 HydrophobicContact CG2-CG1 4.4Å; I474-I478 WeakPolarHBondContact O-CD1 3.44Å; I474-I478 WeakPolarHBondContact O-CG1 3.2Å; I474-I478 PolarHBondContact O-N 3.08Å; I474-L531 HydrophobicContact CG1-CD1 4.21Å; I474-F565 HydrophobicContact CD1-CD1 4.23Å; I474-F565 HydrophobicContact CD1-CD2 3.4Å; I474-F565 VanDerWaalsContact CD1-CD2 3.4Å; I474-F565 HydrophobicContact CD1-CE1 4.15Å; I474-F565 HydrophobicContact CD1-CE2 3.29Å; I474-F565 HydrophobicContact CD1-CG 3.9Å; I474-F565 HydrophobicContact CD1-CZ 3.7Å; I474-F565 HydrophobicContact CG1-CD2 4.42Å; I474-F565 HydrophobicContact CG1-CE2 3.87Å; I474-F565 HydrophobicContact CG1-CZ 4.14Å; I474-V568 HydrophobicContact CB-CG1 4.34Å; I474-V568 HydrophobicContact CG2-CG1 3.87Å; I474-N569 HydrophobicContact CD1-CB 4.02Å
475	V	87.7	Confident	86.9	Confident	67 Å²	67	48.4 Å²	48.4	41%	0.406	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-42	-179	175.7	0	0	0	0	111.4	I471 S472 L473 I478 I479 V568	I471-V475 PolarHBondContact O-N 2.96Å; S472-V475 PolarHBondContact O-N 3.43Å; L473-V475 PolarHBondContact O-N 2.9Å; V475-I478 PolarHBondContact O-N 3.16Å; V475-I479 HydrophobicContact CG1-CD1 4.05Å; V475-I479 WeakPolarHBondContact O-CG1 3.12Å; V475-I479 PolarHBondContact O-N 3.17Å; V475-I479 VanDerWaalsContact O-N 3.1Å; V475-V568 HydrophobicContact CG2-CG1 4.18Å
476	A	88.3	Confident	85.8	Confident	59 Å²	59	46.9 Å²	46.9	49%	0.488	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-42.5	174.6	0	0	0	0	0	112.7	S472 L473 I474 I478 I479 G480	S472-A476 PolarHBondContact O-N 2.82Å; L473-A476 PolarHBondContact O-N 3.23Å; I474-A476 VanDerWaalsContact C-N 3.31Å; I474-A476 PolarHBondContact O-N 3.42Å; A476-I478 VanDerWaalsContact C-N 3.35Å; A476-I478 PolarHBondContact O-N 3.44Å; A476-I479 PolarHBondContact O-N 3.25Å; A476-G480 PolarHBondContact O-N 3.37Å
477	C	86.4	Confident	85	Confident	40 Å²	40	48.3 Å²	48.3	27%	0.27	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-41	175.8	-72.5	0	0	0	0	112.5	L473 I474 G480 V481 I527 L531	L473-C477 PolarHBondContact O-N 3.44Å; L473-C477 PolarHBondContact O-SG 3.26Å; L473-C477 VanDerWaalsContact O-SG 3.37Å; I474-C477 WeakPolarHBondContact O-CB 3.48Å; I474-C477 PolarHBondContact O-N 3.22Å; I474-C477 VanDerWaalsContact O-N 3.09Å; C477-G480 CarbonylContact O-C 3.59Å; C477-G480 WeakPolarHBondContact O-CA 3.27Å; C477-G480 PolarHBondContact O-N 3.41Å; C477-G480 VanDerWaalsContact O-N 3.14Å; C477-V481 PolarHBondContact O-N 2.89Å; C477-I527 HydrophobicContact CB-CG2 4.11Å; C477-L531 HydrophobicContact CB-CD1 4.45Å
478	I	82.1	Confident	84	Confident	18 Å²	18	49 Å²	49	9%	0.092	28%	0.282	C	S	.	.	H	α-helix	trans	-67.4	-41.3	179.1	-64.9	150.5	0	0	0	111.5	I474 V475 A476 G480 V481 I482 S572	I474-I478 HydrophobicContact CG2-CD1 3.48Å; I474-I478 VanDerWaalsContact CG2-CD1 3.48Å; I474-I478 HydrophobicContact CG2-CG1 4.4Å; I474-I478 WeakPolarHBondContact O-CD1 3.44Å; I474-I478 WeakPolarHBondContact O-CG1 3.2Å; I474-I478 PolarHBondContact O-N 3.08Å; V475-I478 PolarHBondContact O-N 3.16Å; A476-I478 VanDerWaalsContact C-N 3.35Å; A476-I478 PolarHBondContact O-N 3.44Å; I478-G480 PolarHBondContact O-N 3.48Å; I478-V481 PolarHBondContact O-N 3.03Å; I478-I482 HydrophobicContact CG2-CD1 3.98Å; I478-I482 WeakPolarHBondContact O-CG1 3.37Å; I478-I482 PolarHBondContact O-N 2.9Å; I478-S572 WeakPolarHBondContact CD1-OG 3.48Å
479	I	82.8	Confident	82.9	Confident	62 Å²	62	45.9 Å²	45.9	32%	0.318	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-37	172.2	-64.4	163.7	0	0	0	110.2	V475 A476 I482 A483 M594 F595	V475-I479 HydrophobicContact CG1-CD1 4.05Å; V475-I479 WeakPolarHBondContact O-CG1 3.12Å; V475-I479 PolarHBondContact O-N 3.17Å; V475-I479 VanDerWaalsContact O-N 3.1Å; A476-I479 PolarHBondContact O-N 3.25Å; I479-I482 PolarHBondContact O-N 3.11Å; I479-A483 WeakPolarHBondContact O-CB 3.27Å; I479-A483 PolarHBondContact O-N 2.79Å; I479-M594 HydrophobicContact CG2-SD 4.14Å; I479-F595 HydrophobicContact CG2-CE2 4.04Å; I479-F595 HydrophobicContact CG2-CZ 3.86Å
480	G	83.3	Confident	81.6	Confident	41 Å²	41	41.9 Å²	41.9	42%	0.423	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-42.6	170.1	0	0	0	0	0	114.1	A476 C477 I478 A483 Y484	A476-G480 PolarHBondContact O-N 3.37Å; C477-G480 CarbonylContact O-C 3.59Å; C477-G480 WeakPolarHBondContact O-CA 3.27Å; C477-G480 PolarHBondContact O-N 3.41Å; C477-G480 VanDerWaalsContact O-N 3.14Å; I478-G480 PolarHBondContact O-N 3.48Å; G480-A483 PolarHBondContact O-N 3.15Å; G480-Y484 WeakPolarHBondContact O-CB 3.12Å; G480-Y484 PolarHBondContact O-N 3.46Å
481	V	80.4	Confident	80.5	Confident	16 Å²	16	41.7 Å²	41.7	10%	0.097	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-39	175.2	174.1	0	0	0	0	111.6	C477 I478 Y484 R485 A520 N524 I527	C477-V481 PolarHBondContact O-N 2.89Å; I478-V481 PolarHBondContact O-N 3.03Å; V481-Y484 WeakPolarHBondContact O-CB 3.2Å; V481-Y484 PolarHBondContact O-N 2.95Å; V481-R485 WeakPolarHBondContact O-CB 3.43Å; V481-R485 PolarHBondContact O-N 2.82Å; V481-A520 HydrophobicContact CG1-CB 4.27Å; V481-N524 HydrophobicContact CG1-CB 4.27Å; V481-I527 HydrophobicContact CG2-CD1 3.7Å
482	I	76.7	Confident	79.3	Confident	16 Å²	16	43 Å²	43	8%	0.082	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-44.2	176.1	-63.6	158	0	0	0	110.5	I478 I479 Y484 R485 L486 Y576 M594	I478-I482 HydrophobicContact CG2-CD1 3.98Å; I478-I482 WeakPolarHBondContact O-CG1 3.37Å; I478-I482 PolarHBondContact O-N 2.9Å; I479-I482 PolarHBondContact O-N 3.11Å; I482-Y484 VanDerWaalsContact C-N 3.33Å; I482-Y484 PolarHBondContact O-N 2.83Å; I482-R485 WeakPolarHBondContact O-CB 3.41Å; I482-R485 PolarHBondContact O-N 2.9Å; I482-R485 VanDerWaalsContact O-N 3.16Å; I482-L486 HydrophobicContact CG2-CD1 4.31Å; I482-L486 PolarHBondContact O-N 3.45Å; I482-Y576 HydrophobicContact CD1-CD1 3.76Å; I482-Y576 HydrophobicContact CD1-CD2 3.67Å; I482-Y576 HydrophobicContact CD1-CE1 3.78Å; I482-Y576 HydrophobicContact CD1-CE2 3.69Å; I482-Y576 HydrophobicContact CD1-CG 3.72Å; I482-Y576 HydrophobicContact CG1-CD1 4.2Å; I482-Y576 HydrophobicContact CG1-CE1 3.97Å; I482-Y576 HydrophobicContact CG2-CE1 4.22Å; I482-M594 HydrophobicContact CG2-CE 3.94Å
483	A	76.6	Confident	77.9	Confident	29 Å²	29	41 Å²	41	24%	0.24	25%	0.252	C	S	.	.	H	α-helix	trans	-61.9	-39.1	174.9	0	0	0	0	0	112.2	I479 G480 A487 L601	I479-A483 WeakPolarHBondContact O-CB 3.27Å; I479-A483 PolarHBondContact O-N 2.79Å; G480-A483 PolarHBondContact O-N 3.15Å; A483-A487 WeakPolarHBondContact O-CB 3.49Å; A483-A487 PolarHBondContact O-N 2.86Å; A483-L601 HydrophobicContact CB-CD2 4.27Å
484	Y	82	Confident	76.5	Confident	80 Å²	80	39.9 Å²	39.9	31%	0.314	25%	0.249	S	C	.	.	H	α-helix	trans	-59.8	-48.2	170.1	165.5	-88.4	0	0	0	111.7	G480 V481 I482 L486 A487 V488 A520 I523	G480-Y484 WeakPolarHBondContact O-CB 3.12Å; G480-Y484 PolarHBondContact O-N 3.46Å; V481-Y484 WeakPolarHBondContact O-CB 3.2Å; V481-Y484 PolarHBondContact O-N 2.95Å; I482-Y484 VanDerWaalsContact C-N 3.33Å; I482-Y484 PolarHBondContact O-N 2.83Å; Y484-L486 PolarHBondContact O-N 3.2Å; Y484-A487 PolarHBondContact O-N 2.79Å; Y484-V488 HydrophobicContact CD2-CG2 3.92Å; Y484-V488 HydrophobicContact CE1-CG2 4.17Å; Y484-V488 HydrophobicContact CE2-CG2 3.54Å; Y484-V488 HydrophobicContact CG-CG2 4.38Å; Y484-V488 WeakPolarHBondContact O-CB 3.29Å; Y484-V488 WeakPolarHBondContact O-CG2 3.13Å; Y484-V488 PolarHBondContact O-N 3.05Å; Y484-A520 HydrophobicContact CD1-CB 4.42Å; Y484-A520 HydrophobicContact CE1-CB 4.39Å; Y484-I523 HydrophobicContact CD1-CD1 4.24Å; Y484-I523 HydrophobicContact CD2-CD1 4.48Å; Y484-I523 HydrophobicContact CE1-CD1 3.55Å; Y484-I523 HydrophobicContact CE2-CD1 3.8Å; Y484-I523 WeakPolarHBondContact OH-CD1 3.37Å
485	R	76	Confident	75.1	Confident	41 Å²	41	44 Å²	44	16%	0.155	27%	0.27	C	S	.	.	H	α-helix	trans	-58.4	-47.5	-179.8	-175.9	178.3	-178.5	-157.9	14.6	111.6	V481 I482 V488 Y489 A520 E604 E614	V481-R485 WeakPolarHBondContact O-CB 3.43Å; V481-R485 PolarHBondContact O-N 2.82Å; I482-R485 WeakPolarHBondContact O-CB 3.41Å; I482-R485 PolarHBondContact O-N 2.9Å; I482-R485 VanDerWaalsContact O-N 3.16Å; R485-V488 PolarHBondContact O-N 2.82Å; R485-Y489 WeakPolarHBondContact O-CB 3.46Å; R485-Y489 PolarHBondContact O-N 3.43Å; R485-A520 HydrophobicContact CB-CB 4.24Å; R485-A520 HydrophobicContact CG-CB 4.38Å; R485-E604 VanDerWaalsContact CD-OE1 3.24Å; R485-E604 WeakPolarHBondContact CD-OE1 3.43Å; R485-E604 IonicContact CZ-OE1 2.91Å; R485-E604 IonicContact CZ-OE2 2.68Å; R485-E604 IonicContact NE-OE1 3.1Å; R485-E604 IonicContact NH1-OE1 3.4Å; R485-E604 IonicContact NH1-OE2 3.22Å; R485-E604 PolarHBondContact NH1-OE2 3.13Å; R485-E614 IonicContact CZ-OE1 3.9Å; R485-E614 IonicContact NH1-OE1 3.52Å; R485-E614 PolarHBondContact NH1-OE1 3.33Å; R485-E614 IonicContact NH2-OE1 3.83Å; R485-E614 PolarHBondContact NH2-OE1 3.36Å
486	L	72.4	Confident	73.7	Confident	28 Å²	28	46.1 Å²	46.1	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-50	174.9	-79.6	166.7	0	0	0	112.2	I482 Y484 V488 Y489 A490 M594 L601 R602 E604	I482-L486 HydrophobicContact CG2-CD1 4.31Å; I482-L486 PolarHBondContact O-N 3.45Å; Y484-L486 PolarHBondContact O-N 3.2Å; L486-V488 PolarHBondContact O-N 3.41Å; L486-Y489 PolarHBondContact O-N 3.07Å; L486-A490 PolarHBondContact O-N 2.95Å; L486-M594 HydrophobicContact CD1-CE 4Å; L486-L601 HydrophobicContact CB-CD2 3.97Å; L486-L601 HydrophobicContact CD1-CB 4.49Å; L486-L601 HydrophobicContact CD1-CD2 4.32Å; L486-R602 WeakPolarHBondContact CD2-O 3.04Å; L486-E604 HydrophobicContact CD1-CG 4.37Å; L486-E604 HydrophobicContact CD2-CG 3.57Å; L486-E604 HydrophobicContact CG-CG 3.92Å
487	A	74.2	Confident	71.9	Confident	54 Å²	54	47 Å²	47	45%	0.446	27%	0.271	S	S	.	.	H	α-helix	trans	-62.8	-40.3	179.9	0	0	0	0	0	112.5	A483 Y484 A490 A491	A483-A487 WeakPolarHBondContact O-CB 3.49Å; A483-A487 PolarHBondContact O-N 2.86Å; Y484-A487 PolarHBondContact O-N 2.79Å; A487-A490 PolarHBondContact O-N 2.91Å; A487-A491 PolarHBondContact O-N 3Å
488	V	73.1	Confident	70.2	Confident	29 Å²	29	49.7 Å²	49.7	18%	0.176	28%	0.283	C	S	.	.	H	α-helix	trans	-76.7	-32.1	-179.2	176.8	0	0	0	0	112	Y484 R485 L486 A491 F492 T516	Y484-V488 HydrophobicContact CD2-CG2 3.92Å; Y484-V488 HydrophobicContact CE1-CG2 4.17Å; Y484-V488 HydrophobicContact CE2-CG2 3.54Å; Y484-V488 HydrophobicContact CG-CG2 4.38Å; Y484-V488 WeakPolarHBondContact O-CB 3.29Å; Y484-V488 WeakPolarHBondContact O-CG2 3.13Å; Y484-V488 PolarHBondContact O-N 3.05Å; R485-V488 PolarHBondContact O-N 2.82Å; L486-V488 PolarHBondContact O-N 3.41Å; V488-A491 WeakPolarHBondContact O-CB 3.22Å; V488-A491 PolarHBondContact O-N 3.1Å; V488-F492 HydrophobicContact CG1-CD2 3.61Å; V488-F492 HydrophobicContact CG1-CE2 3.53Å; V488-F492 WeakPolarHBondContact O-CD2 3.28Å; V488-F492 PolarHBondContact O-N 3.3Å; V488-T516 HydrophobicContact CB-CG2 4.39Å; V488-T516 HydrophobicContact CG1-CG2 3.97Å
489	Y	70.4	Confident	68.5	Low	54 Å²	54	54.8 Å²	54.8	21%	0.212	32%	0.317	C	S	.	.	H	α-helix	trans	-60.6	-48.4	167.9	178.9	-100.8	0	0	0	111.4	C357 R485 L486 A491 F492 A493 Q513	C357-Y489 HydrophobicContact CB-CE1 4.3Å; R485-Y489 WeakPolarHBondContact O-CB 3.46Å; R485-Y489 PolarHBondContact O-N 3.43Å; L486-Y489 PolarHBondContact O-N 3.07Å; Y489-A491 PolarHBondContact O-N 2.96Å; Y489-F492 PolarHBondContact O-N 3.19Å; Y489-A493 WeakPolarHBondContact O-CB 3.35Å; Y489-A493 PolarHBondContact O-N 3.39Å; Y489-Q513 HydrophobicContact CE2-CG 3.91Å
490	A	66.7	Low	66.6	Low	37 Å²	37	60.6 Å²	60.6	31%	0.306	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-22.5	174.8	0	0	0	0	0	113.4	K360 L486 A487 S494	K360-A490 WeakPolarHBondContact CD-O 3.43Å; K360-A490 PolarHBondContact NZ-O 3.32Å; L486-A490 PolarHBondContact O-N 2.95Å; A487-A490 PolarHBondContact O-N 2.91Å; A490-S494 PolarHBondContact O-OG 2.96Å
491	A	69.1	Low	64.8	Low	39 Å²	39	66.9 Å²	66.9	32%	0.322	36%	0.356	S	S	.	.	H	α-helix	trans	-78.6	-49.9	172.6	0	0	0	0	0	112.1	A487 V488 Y489 A493 S494 I495	A487-A491 PolarHBondContact O-N 3Å; V488-A491 WeakPolarHBondContact O-CB 3.22Å; V488-A491 PolarHBondContact O-N 3.1Å; Y489-A491 PolarHBondContact O-N 2.96Å; A491-A493 VanDerWaalsContact C-N 3.32Å; A491-A493 PolarHBondContact O-N 3.42Å; A491-S494 PolarHBondContact O-N 2.83Å; A491-S494 VanDerWaalsContact O-N 3.13Å; A491-S494 PolarHBondContact O-OG 3.46Å; A491-I495 WeakPolarHBondContact O-CG1 3.37Å; A491-I495 PolarHBondContact O-N 2.92Å
492	F	66.8	Low	62.9	Low	69 Å²	69	75.4 Å²	75.4	30%	0.303	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-37.4	177.7	-85.1	-69.4	0	0	0	112.7	V488 Y489 S494 I495 I496 P512 A515 T516	V488-F492 HydrophobicContact CG1-CD2 3.61Å; V488-F492 HydrophobicContact CG1-CE2 3.53Å; V488-F492 WeakPolarHBondContact O-CD2 3.28Å; V488-F492 PolarHBondContact O-N 3.3Å; Y489-F492 PolarHBondContact O-N 3.19Å; F492-S494 VanDerWaalsContact C-N 3.28Å; F492-S494 PolarHBondContact O-N 2.8Å; F492-I495 PolarHBondContact O-N 3.12Å; F492-I495 VanDerWaalsContact O-N 3.09Å; F492-I496 WeakPolarHBondContact O-CG1 3.5Å; F492-I496 PolarHBondContact O-N 3.43Å; F492-P512 HydrophobicContact CB-CB 3.87Å; F492-A515 HydrophobicContact CE2-CB 4.33Å; F492-A515 HydrophobicContact CZ-CB 4.36Å; F492-T516 HydrophobicContact CD2-CG2 3.95Å
493	A	61.4	Low	61.5	Low	21 Å²	21	79.5 Å²	79.5	17%	0.174	41%	0.412	C	S	.	.	H	α-helix	trans	-55.8	-41.5	173.3	0	0	0	0	0	112.2	K360 Y489 A491	K360-A493 HydrophobicContact CB-CB 4.23Å; Y489-A493 WeakPolarHBondContact O-CB 3.35Å; Y489-A493 PolarHBondContact O-N 3.39Å; A491-A493 VanDerWaalsContact C-N 3.32Å; A491-A493 PolarHBondContact O-N 3.42Å
494	S	61.6	Low	60.1	Low	37 Å²	37	86.5 Å²	86.5	26%	0.259	44%	0.44	S	S	.	.	H	α-helix	trans	-73.5	-33.5	172.7	34.9	0	0	0	0	114.2	K360 A490 A491 F492 I496 K497	K360-S494 PolarHBondContact NZ-OG 2.94Å; A490-S494 PolarHBondContact O-OG 2.96Å; A491-S494 PolarHBondContact O-N 2.83Å; A491-S494 VanDerWaalsContact O-N 3.13Å; A491-S494 PolarHBondContact O-OG 3.46Å; F492-S494 VanDerWaalsContact C-N 3.28Å; F492-S494 PolarHBondContact O-N 2.8Å; S494-I496 VanDerWaalsContact C-N 3.29Å; S494-I496 PolarHBondContact O-N 3.44Å; S494-K497 WeakPolarHBondContact O-CB 3.18Å; S494-K497 PolarHBondContact O-N 3.19Å; S494-K497 VanDerWaalsContact O-N 3.11Å
495	I	60.2	Low	58.3	Low	88 Å²	88	90 Å²	90	45%	0.451	46%	0.464	S	S	.	.	H	α-helix	trans	-68.9	-30.9	-179.6	-68.1	164	0	0	0	111.5	A491 F492 K497	A491-I495 WeakPolarHBondContact O-CG1 3.37Å; A491-I495 PolarHBondContact O-N 2.92Å; F492-I495 PolarHBondContact O-N 3.12Å; F492-I495 VanDerWaalsContact O-N 3.09Å; I495-K497 VanDerWaalsContact C-N 3.29Å
496	I	57	Low	56.9	Low	110 Å²	110	91.4 Å²	91.4	56%	0.564	48%	0.477	S	S	*	.	H	α-helix	trans	-74.2	-21.6	173.8	-67.3	168	0	0	0	111.7	F492 S494 P512	F492-I496 WeakPolarHBondContact O-CG1 3.5Å; F492-I496 PolarHBondContact O-N 3.43Å; S494-I496 VanDerWaalsContact C-N 3.29Å; S494-I496 PolarHBondContact O-N 3.44Å; I496-P512 HydrophobicContact CD1-CB 3.9Å; I496-P512 HydrophobicContact CD1-CG 3.78Å
497	K	51	Low	55.6	Low	78 Å²	78	92.7 Å²	92.7	34%	0.339	50%	0.497	S	S	.	.	H	α-helix	trans	-75.2	-18.7	-179.5	-165.5	172.8	177.7	174.8	0	113.8	S494 I495 P499 E799	S494-K497 WeakPolarHBondContact O-CB 3.18Å; S494-K497 PolarHBondContact O-N 3.19Å; S494-K497 VanDerWaalsContact O-N 3.11Å; I495-K497 VanDerWaalsContact C-N 3.29Å; K497-P499 WeakPolarHBondContact O-CD 3.35Å; K497-E799 IonicContact NZ-OE2 2.72Å; K497-E799 PolarHBondContact NZ-OE2 3.38Å
498	D	49.5	Very low	54.3	Low	97 Å²	97	101 Å²	101	52%	0.519	52%	0.516	S	S	.	.			trans	-78.4	105.5	-179.4	-92.3	-28.3	0	0	0	112.9	M500	D498-M500 PolarHBondContact O-N 3.25Å; D498-M500 VanDerWaalsContact O-N 3.15Å
499	P	46.7	Very low	52.9	Low	125 Å²	125	107.8 Å²	107.8	81%	0.812	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.6	-173.6	-16.6	33.5	0	0	0	113.8	K497	K497-P499 WeakPolarHBondContact O-CD 3.35Å
500	M	42.9	Very low	52.1	Low	183 Å²	183	109.2 Å²	109.2	90%	0.901	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-18.1	-176.4	-70.9	-149.6	-63.3	0	0	114.4	D498 K502	D498-M500 PolarHBondContact O-N 3.25Å; D498-M500 VanDerWaalsContact O-N 3.15Å; M500-K502 PolarHBondContact O-N 3.29Å
501	R	46.2	Very low	51.7	Low	173 Å²	173	110.5 Å²	110.5	65%	0.653	56%	0.559	S	S	*	*	S	Bend	trans	-92.3	98.1	177.6	-79.9	-177.7	168.8	172.4	-2.1	110.4	I503	R501-I503 HydrophobicContact CB-CD1 4.36Å; R501-I503 HydrophobicContact CB-CG1 4.38Å; R501-I503 PolarHBondContact O-N 2.96Å
502	K	39.5	Very low	51.4	Low	195 Å²	195	110.3 Å²	110.3	85%	0.848	55%	0.554	S	S	*	*			trans	-64.4	74	173.1	-73.9	-167.9	173	-169.8	0	112.6	M500	M500-K502 PolarHBondContact O-N 3.29Å
503	I	48.6	Very low	51	Low	102 Å²	102	111.4 Å²	111.4	52%	0.523	56%	0.56	S	S	.	*			trans	-117.4	27.6	175.1	-50.1	-179.4	0	0	0	109.9	R501 L505 V506 G507	R501-I503 HydrophobicContact CB-CD1 4.36Å; R501-I503 HydrophobicContact CB-CG1 4.38Å; R501-I503 PolarHBondContact O-N 2.96Å; I503-L505 PolarHBondContact O-N 2.75Å; I503-L505 VanDerWaalsContact O-N 3.08Å; I503-V506 HydrophobicContact CG2-CB 3.86Å; I503-V506 HydrophobicContact CG2-CG2 3.98Å; I503-V506 PolarHBondContact O-N 3.15Å; I503-V506 VanDerWaalsContact O-N 3.13Å; I503-G507 PolarHBondContact O-N 3.46Å; I503-G507 VanDerWaalsContact O-N 3.17Å
504	Q	45.8	Very low	51.1	Low	176 Å²	176	114.8 Å²	114.8	82%	0.822	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-20.7	175.9	-71.8	-179.6	-52.1	0	0	113.6
505	L	44.5	Very low	51.2	Low	154 Å²	154	113.8 Å²	113.8	81%	0.806	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-33	177.2	-155.5	78.5	0	0	0	113.2	I503	I503-L505 PolarHBondContact O-N 2.75Å; I503-L505 VanDerWaalsContact O-N 3.08Å
506	V	46.3	Very low	51.7	Low	71 Å²	71	109.8 Å²	109.8	43%	0.43	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-33.6	-176.7	-171.8	0	0	0	0	111.6	I503 R508 F509 I510	I503-V506 HydrophobicContact CG2-CB 3.86Å; I503-V506 HydrophobicContact CG2-CG2 3.98Å; I503-V506 PolarHBondContact O-N 3.15Å; I503-V506 VanDerWaalsContact O-N 3.13Å; V506-R508 PolarHBondContact O-N 3.02Å; V506-F509 PolarHBondContact O-N 2.91Å; V506-I510 HydrophobicContact CG1-CD1 3.73Å; V506-I510 HydrophobicContact CG1-CG1 4.1Å; V506-I510 PolarHBondContact O-N 3.34Å
507	G	45.9	Very low	52.2	Low	55 Å²	55	106.2 Å²	106.2	57%	0.567	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.7	179.9	0	0	0	0	0	115.3	I503	I503-G507 PolarHBondContact O-N 3.46Å; I503-G507 VanDerWaalsContact O-N 3.17Å
508	R	46	Very low	53.1	Low	227 Å²	227	106 Å²	106	86%	0.857	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-20.5	172.7	-171.6	169.2	179	167.4	-0.2	113.8	V506	V506-R508 PolarHBondContact O-N 3.02Å
509	F	44.8	Very low	54.3	Low	172 Å²	172	103.8 Å²	103.8	75%	0.754	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-24.2	179.3	-73.7	-75.4	0	0	0	113.4	V506	V506-F509 PolarHBondContact O-N 2.91Å
510	I	52.8	Low	55.5	Low	85 Å²	85	98.2 Å²	98.2	44%	0.436	49%	0.493	S	S	.	.			trans	-118.3	99.5	-179.7	-55.5	-176.1	0	0	0	109.3	V506 A515	V506-I510 HydrophobicContact CG1-CD1 3.73Å; V506-I510 HydrophobicContact CG1-CG1 4.1Å; V506-I510 PolarHBondContact O-N 3.34Å; I510-A515 HydrophobicContact CG2-CB 3.74Å
511	T	59.1	Low	56.8	Low	64 Å²	64	91.9 Å²	91.9	39%	0.393	47%	0.467	S	S	.	.			trans	-71	149.2	168.2	69.9	0	0	0	0	109.9	Q513 L514 A515	T511-Q513 PolarHBondContact O-N 2.9Å; T511-L514 PolarHBondContact O-N 3.38Å; T511-L514 VanDerWaalsContact O-N 3.13Å; T511-L514 VanDerWaalsContact OG1-CB 3.28Å; T511-L514 WeakPolarHBondContact OG1-CB 3.49Å; T511-L514 PolarHBondContact OG1-N 2.93Å; T511-L514 VanDerWaalsContact OG1-N 3.08Å; T511-A515 PolarHBondContact O-N 3.5Å
512	P	61.9	Low	58.1	Low	34 Å²	34	87.3 Å²	87.3	22%	0.221	46%	0.46	C	S	.	.	H	α-helix	trans	-62.1	-26.7	177.5	25.7	-35.2	0	0	0	112.4	F492 I496 T516	F492-P512 HydrophobicContact CB-CB 3.87Å; I496-P512 HydrophobicContact CD1-CB 3.9Å; I496-P512 HydrophobicContact CD1-CG 3.78Å; P512-T516 WeakPolarHBondContact O-CB 3.38Å; P512-T516 VanDerWaalsContact O-CG2 3.23Å; P512-T516 WeakPolarHBondContact O-CG2 3.31Å; P512-T516 PolarHBondContact O-N 3.42Å; P512-T516 PolarHBondContact O-OG1 3.14Å
513	Q	59.2	Low	60.1	Low	93 Å²	93	81 Å²	81	44%	0.435	44%	0.435	S	S	.	.	H	α-helix	trans	-70.2	-43.8	173.7	-67.5	167.4	-44.7	0	0	111.8	Y489 T511 T516 S517	Y489-Q513 HydrophobicContact CE2-CG 3.91Å; T511-Q513 PolarHBondContact O-N 2.9Å; Q513-T516 WeakPolarHBondContact CA-OG1 3.48Å; Q513-T516 PolarHBondContact O-OG1 3.43Å; Q513-T516 VanDerWaalsContact O-OG1 3.05Å; Q513-S517 WeakPolarHBondContact O-CB 3.32Å; Q513-S517 PolarHBondContact O-N 3.38Å
514	L	62.9	Low	61.4	Low	92 Å²	92	77.3 Å²	77.3	48%	0.482	42%	0.417	S	S	.	.	H	α-helix	trans	-67	-43.8	176.4	-177	62.1	0	0	0	111	T511 T516 S517 V518	T511-L514 PolarHBondContact O-N 3.38Å; T511-L514 VanDerWaalsContact O-N 3.13Å; T511-L514 VanDerWaalsContact OG1-CB 3.28Å; T511-L514 WeakPolarHBondContact OG1-CB 3.49Å; T511-L514 PolarHBondContact OG1-N 2.93Å; T511-L514 VanDerWaalsContact OG1-N 3.08Å; L514-T516 PolarHBondContact O-N 2.99Å; L514-S517 PolarHBondContact O-N 3.11Å; L514-V518 HydrophobicContact CD1-CG2 4.16Å; L514-V518 WeakPolarHBondContact O-CB 3.11Å; L514-V518 WeakPolarHBondContact O-CG2 3.48Å; L514-V518 PolarHBondContact O-N 3.43Å
515	A	65.4	Low	62.7	Low	16 Å²	16	73.2 Å²	73.2	13%	0.132	40%	0.396	C	S	.	.	H	α-helix	trans	-57.5	-50.8	175.9	0	0	0	0	0	112.2	F492 I510 T511 V518 T519	F492-A515 HydrophobicContact CE2-CB 4.33Å; F492-A515 HydrophobicContact CZ-CB 4.36Å; I510-A515 HydrophobicContact CG2-CB 3.74Å; T511-A515 PolarHBondContact O-N 3.5Å; A515-V518 PolarHBondContact O-N 3.31Å; A515-T519 WeakPolarHBondContact O-CG2 3.47Å; A515-T519 PolarHBondContact O-N 3.01Å; A515-T519 PolarHBondContact O-OG1 2.88Å
516	T	69.2	Low	64.4	Low	3 Å²	3	69.6 Å²	69.6	2%	0.018	38%	0.38	C	S	.	.	H	α-helix	trans	-67.2	-37	-179.9	49.8	0	0	0	0	113	V488 F492 P512 Q513 L514 A520	V488-T516 HydrophobicContact CB-CG2 4.39Å; V488-T516 HydrophobicContact CG1-CG2 3.97Å; F492-T516 HydrophobicContact CD2-CG2 3.95Å; P512-T516 WeakPolarHBondContact O-CB 3.38Å; P512-T516 VanDerWaalsContact O-CG2 3.23Å; P512-T516 WeakPolarHBondContact O-CG2 3.31Å; P512-T516 PolarHBondContact O-N 3.42Å; P512-T516 PolarHBondContact O-OG1 3.14Å; Q513-T516 WeakPolarHBondContact CA-OG1 3.48Å; Q513-T516 PolarHBondContact O-OG1 3.43Å; Q513-T516 VanDerWaalsContact O-OG1 3.05Å; L514-T516 PolarHBondContact O-N 2.99Å; T516-A520 WeakPolarHBondContact O-CB 3.25Å; T516-A520 PolarHBondContact O-N 2.99Å
517	S	67.9	Low	66.2	Low	36 Å²	36	68.5 Å²	68.5	25%	0.252	37%	0.371	S	S	.	.	H	α-helix	trans	-62.4	-48.3	173.6	176.9	0	0	0	0	111.5	Q513 L514 S521	Q513-S517 WeakPolarHBondContact O-CB 3.32Å; Q513-S517 PolarHBondContact O-N 3.38Å; L514-S517 PolarHBondContact O-N 3.11Å; S517-S521 VanDerWaalsContact O-CB 3.29Å; S517-S521 WeakPolarHBondContact O-CB 3.4Å; S517-S521 PolarHBondContact O-N 2.93Å; S517-S521 PolarHBondContact O-OG 3.48Å
518	V	69.3	Low	67.8	Low	74 Å²	74	66.5 Å²	66.5	45%	0.448	35%	0.348	S	S	.	.	H	α-helix	trans	-66.5	-47.2	180	172.6	0	0	0	0	111.6	L514 A515 S521 C522	L514-V518 HydrophobicContact CD1-CG2 4.16Å; L514-V518 WeakPolarHBondContact O-CB 3.11Å; L514-V518 WeakPolarHBondContact O-CG2 3.48Å; L514-V518 PolarHBondContact O-N 3.43Å; A515-V518 PolarHBondContact O-N 3.31Å; V518-S521 PolarHBondContact O-N 3.2Å; V518-C522 PolarHBondContact O-N 3.19Å; V518-C522 PolarHBondContact O-SG 3.34Å; V518-C522 VanDerWaalsContact O-SG 3.32Å
519	T	74.6	Confident	69.3	Low	50 Å²	50	60.5 Å²	60.5	31%	0.307	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-39.8	-179.6	60.9	0	0	0	0	112.5	A515 S521 C522 I523	A515-T519 WeakPolarHBondContact O-CG2 3.47Å; A515-T519 PolarHBondContact O-N 3.01Å; A515-T519 PolarHBondContact O-OG1 2.88Å; T519-S521 VanDerWaalsContact C-N 3.34Å; T519-C522 PolarHBondContact O-N 3.03Å; T519-I523 WeakPolarHBondContact O-CG1 3.18Å; T519-I523 PolarHBondContact O-N 3.47Å
520	A	73.3	Confident	71.3	Confident	7 Å²	7	56.7 Å²	56.7	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-63.7	-40	174.5	0	0	0	0	0	111.7	V481 Y484 R485 T516 I523 N524	V481-A520 HydrophobicContact CG1-CB 4.27Å; Y484-A520 HydrophobicContact CD1-CB 4.42Å; Y484-A520 HydrophobicContact CE1-CB 4.39Å; R485-A520 HydrophobicContact CB-CB 4.24Å; R485-A520 HydrophobicContact CG-CB 4.38Å; T516-A520 WeakPolarHBondContact O-CB 3.25Å; T516-A520 PolarHBondContact O-N 2.99Å; A520-I523 PolarHBondContact O-N 3.27Å; A520-N524 VanDerWaalsContact O-CB 3.31Å; A520-N524 WeakPolarHBondContact O-CB 3.3Å; A520-N524 PolarHBondContact O-N 2.93Å
521	S	70.2	Confident	73	Confident	51 Å²	51	53.5 Å²	53.5	36%	0.357	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-44.6	176.5	-60.1	0	0	0	0	112.1	S517 V518 T519 N524 F525	S517-S521 VanDerWaalsContact O-CB 3.29Å; S517-S521 WeakPolarHBondContact O-CB 3.4Å; S517-S521 PolarHBondContact O-N 2.93Å; S517-S521 PolarHBondContact O-OG 3.48Å; V518-S521 PolarHBondContact O-N 3.2Å; T519-S521 VanDerWaalsContact C-N 3.34Å; S521-N524 PolarHBondContact O-N 2.89Å; S521-F525 WeakPolarHBondContact O-CB 3.46Å; S521-F525 PolarHBondContact O-N 3.17Å
522	C	73.6	Confident	74.2	Confident	77 Å²	77	52 Å²	52	52%	0.52	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-42.3	175.6	-68.5	0	0	0	0	112.4	V518 T519 F525 V526	V518-C522 PolarHBondContact O-N 3.19Å; V518-C522 PolarHBondContact O-SG 3.34Å; V518-C522 VanDerWaalsContact O-SG 3.32Å; T519-C522 PolarHBondContact O-N 3.03Å; C522-F525 PolarHBondContact O-N 3.31Å; C522-V526 WeakPolarHBondContact O-CG2 3.37Å; C522-V526 PolarHBondContact O-N 2.91Å; C522-V526 VanDerWaalsContact O-N 3.08Å
523	I	80.2	Confident	75.4	Confident	62 Å²	62	56.1 Å²	56.1	32%	0.318	31%	0.305	S	S	.	.	H	α-helix	trans	-66.5	-42.9	177.4	-72.1	164.8	0	0	0	110.8	Y484 T519 A520 F525 V526 I527	Y484-I523 HydrophobicContact CD1-CD1 4.24Å; Y484-I523 HydrophobicContact CD2-CD1 4.48Å; Y484-I523 HydrophobicContact CE1-CD1 3.55Å; Y484-I523 HydrophobicContact CE2-CD1 3.8Å; Y484-I523 WeakPolarHBondContact OH-CD1 3.37Å; T519-I523 WeakPolarHBondContact O-CG1 3.18Å; T519-I523 PolarHBondContact O-N 3.47Å; A520-I523 PolarHBondContact O-N 3.27Å; I523-F525 VanDerWaalsContact C-N 3.33Å; I523-F525 PolarHBondContact O-N 3.41Å; I523-V526 PolarHBondContact O-N 2.85Å; I523-I527 HydrophobicContact CG2-CD1 3.83Å; I523-I527 WeakPolarHBondContact O-CG1 3.21Å; I523-I527 PolarHBondContact O-N 3.42Å
524	N	76.1	Confident	76.9	Confident	25 Å²	25	57.1 Å²	57.1	13%	0.134	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-44.4	175.3	-166.5	54.2	0	0	0	111.5	V481 A520 S521 V526 I527 I528	V481-N524 HydrophobicContact CG1-CB 4.27Å; A520-N524 VanDerWaalsContact O-CB 3.31Å; A520-N524 WeakPolarHBondContact O-CB 3.3Å; A520-N524 PolarHBondContact O-N 2.93Å; S521-N524 PolarHBondContact O-N 2.89Å; N524-V526 PolarHBondContact O-N 2.89Å; N524-I527 PolarHBondContact O-N 2.9Å; N524-I528 WeakPolarHBondContact ND2-CD1 3.36Å; N524-I528 WeakPolarHBondContact O-CB 3.42Å; N524-I528 VanDerWaalsContact O-CG1 3.26Å; N524-I528 WeakPolarHBondContact O-CG1 3.23Å; N524-I528 PolarHBondContact O-N 3.44Å
525	F	74.3	Confident	78.2	Confident	90 Å²	90	52.8 Å²	52.8	40%	0.395	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-43.5	176.3	-178.1	-100.1	0	0	0	112.8	S521 C522 I523 I528 M529	S521-F525 WeakPolarHBondContact O-CB 3.46Å; S521-F525 PolarHBondContact O-N 3.17Å; C522-F525 PolarHBondContact O-N 3.31Å; I523-F525 VanDerWaalsContact C-N 3.33Å; I523-F525 PolarHBondContact O-N 3.41Å; F525-I528 WeakPolarHBondContact O-CB 3.42Å; F525-I528 PolarHBondContact O-N 3.18Å; F525-M529 HydrophobicContact CD1-CG 4.49Å; F525-M529 HydrophobicContact CD1-SD 4.1Å; F525-M529 HydrophobicContact CE1-CG 4.17Å; F525-M529 HydrophobicContact CE1-SD 3.45Å; F525-M529 WeakPolarHBondContact CE1-SD 3.42Å; F525-M529 HydrophobicContact CZ-CG 4.31Å; F525-M529 HydrophobicContact CZ-SD 3.89Å; F525-M529 WeakPolarHBondContact O-CG 3.26Å; F525-M529 PolarHBondContact O-N 3.5Å
526	V	80.6	Confident	79.3	Confident	78 Å²	78	54.3 Å²	54.3	47%	0.473	29%	0.29	S	S	.	.	H	α-helix	trans	-63.4	-41.7	175.7	171.3	0	0	0	0	111.6	C522 I523 N524 M529 I530	C522-V526 WeakPolarHBondContact O-CG2 3.37Å; C522-V526 PolarHBondContact O-N 2.91Å; C522-V526 VanDerWaalsContact O-N 3.08Å; I523-V526 PolarHBondContact O-N 2.85Å; N524-V526 PolarHBondContact O-N 2.89Å; V526-M529 PolarHBondContact O-N 3.1Å; V526-I530 HydrophobicContact CG1-CD1 3.87Å; V526-I530 WeakPolarHBondContact O-CG1 3.16Å; V526-I530 PolarHBondContact O-N 3.46Å; V526-I530 VanDerWaalsContact O-N 3.13Å
527	I	82.8	Confident	80.3	Confident	47 Å²	47	59.3 Å²	59.3	24%	0.241	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-45.8	175.3	-69	166.2	0	0	0	110.7	C477 V481 I523 N524 M529 I530 L531	C477-I527 HydrophobicContact CB-CG2 4.11Å; V481-I527 HydrophobicContact CG2-CD1 3.7Å; I523-I527 HydrophobicContact CG2-CD1 3.83Å; I523-I527 WeakPolarHBondContact O-CG1 3.21Å; I523-I527 PolarHBondContact O-N 3.42Å; N524-I527 PolarHBondContact O-N 2.9Å; I527-M529 PolarHBondContact O-N 3.25Å; I527-I530 PolarHBondContact O-N 2.87Å; I527-L531 HydrophobicContact CG2-CD1 3.69Å; I527-L531 HydrophobicContact CG2-CG 4.18Å; I527-L531 WeakPolarHBondContact O-CB 3.25Å; I527-L531 WeakPolarHBondContact O-CG 3.37Å; I527-L531 PolarHBondContact O-N 3.41Å
528	I	79.4	Confident	81.5	Confident	14 Å²	14	59 Å²	59	7%	0.072	31%	0.308	C	S	.	.	H	α-helix	trans	-54.6	-48.8	175.7	-75.5	164	0	0	0	110.9	N524 F525 I530 N532 Y570	N524-I528 WeakPolarHBondContact ND2-CD1 3.36Å; N524-I528 WeakPolarHBondContact O-CB 3.42Å; N524-I528 VanDerWaalsContact O-CG1 3.26Å; N524-I528 WeakPolarHBondContact O-CG1 3.23Å; N524-I528 PolarHBondContact O-N 3.44Å; F525-I528 WeakPolarHBondContact O-CB 3.42Å; F525-I528 PolarHBondContact O-N 3.18Å; I528-I530 PolarHBondContact O-N 3.43Å; I528-N532 VanDerWaalsContact O-CB 3.25Å; I528-N532 WeakPolarHBondContact O-CB 3.43Å; I528-N532 PolarHBondContact O-N 3.19Å; I528-N532 PolarHBondContact O-OD1 2.8Å; I528-Y570 HydrophobicContact CG2-CE1 4.46Å
529	M	78.6	Confident	82.6	Confident	101 Å²	101	55.5 Å²	55.5	50%	0.498	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-43.9	178.8	-71	-172	78.1	0	0	112.9	F525 V526 I527 F533	F525-M529 HydrophobicContact CD1-CG 4.49Å; F525-M529 HydrophobicContact CD1-SD 4.1Å; F525-M529 HydrophobicContact CE1-CG 4.17Å; F525-M529 HydrophobicContact CE1-SD 3.45Å; F525-M529 WeakPolarHBondContact CE1-SD 3.42Å; F525-M529 HydrophobicContact CZ-CG 4.31Å; F525-M529 HydrophobicContact CZ-SD 3.89Å; F525-M529 WeakPolarHBondContact O-CG 3.26Å; F525-M529 PolarHBondContact O-N 3.5Å; V526-M529 PolarHBondContact O-N 3.1Å; I527-M529 PolarHBondContact O-N 3.25Å; M529-F533 PolarHBondContact O-N 2.79Å
530	I	86.9	Confident	83.4	Confident	91 Å²	91	55 Å²	55	47%	0.467	28%	0.281	S	S	.	.	H	α-helix	trans	-67.4	-47.2	-178.8	-67.4	167.2	0	0	0	110.7	V526 I527 I528 N532 F533 F534	V526-I530 HydrophobicContact CG1-CD1 3.87Å; V526-I530 WeakPolarHBondContact O-CG1 3.16Å; V526-I530 PolarHBondContact O-N 3.46Å; V526-I530 VanDerWaalsContact O-N 3.13Å; I527-I530 PolarHBondContact O-N 2.87Å; I528-I530 PolarHBondContact O-N 3.43Å; I530-N532 VanDerWaalsContact C-N 3.35Å; I530-N532 PolarHBondContact O-N 3.11Å; I530-F533 PolarHBondContact O-N 2.84Å; I530-F534 HydrophobicContact CG2-CD2 4.04Å; I530-F534 HydrophobicContact CG2-CE2 3.82Å; I530-F534 VanDerWaalsContact O-CD2 3.27Å; I530-F534 WeakPolarHBondContact O-CD2 3.18Å; I530-F534 PolarHBondContact O-N 2.92Å
531	L	86.9	Confident	84.3	Confident	19 Å²	19	61.7 Å²	61.7	10%	0.099	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-39.4	178.8	-70.1	178.8	0	0	0	111.8	W470 L473 I474 C477 I527 F533 F534 Y535 F565	W470-L531 HydrophobicContact CZ3-CD2 4.24Å; L473-L531 HydrophobicContact CD2-CD2 4.29Å; I474-L531 HydrophobicContact CG1-CD1 4.21Å; C477-L531 HydrophobicContact CB-CD1 4.45Å; I527-L531 HydrophobicContact CG2-CD1 3.69Å; I527-L531 HydrophobicContact CG2-CG 4.18Å; I527-L531 WeakPolarHBondContact O-CB 3.25Å; I527-L531 WeakPolarHBondContact O-CG 3.37Å; I527-L531 PolarHBondContact O-N 3.41Å; L531-F533 PolarHBondContact O-N 3.01Å; L531-F534 PolarHBondContact O-N 3.43Å; L531-Y535 WeakPolarHBondContact O-CB 3.18Å; L531-Y535 PolarHBondContact O-N 2.78Å; L531-F565 HydrophobicContact CB-CZ 4.12Å
532	N	85.4	Confident	85.4	Confident	32 Å²	32	59.2 Å²	59.2	17%	0.171	29%	0.288	C	S	.	.	H	α-helix	trans	-58.2	-46.7	175.1	-79.1	-3.5	0	0	0	112.4	I528 I530 F534 Y535 E536 F565 Q566 N569	I528-N532 VanDerWaalsContact O-CB 3.25Å; I528-N532 WeakPolarHBondContact O-CB 3.43Å; I528-N532 PolarHBondContact O-N 3.19Å; I528-N532 PolarHBondContact O-OD1 2.8Å; I530-N532 VanDerWaalsContact C-N 3.35Å; I530-N532 PolarHBondContact O-N 3.11Å; N532-F534 PolarHBondContact O-N 2.96Å; N532-Y535 PolarHBondContact O-N 3.04Å; N532-E536 PolarHBondContact O-N 3.43Å; N532-E536 VanDerWaalsContact O-N 3.07Å; N532-F565 WeakPolarHBondContact OD1-CE1 3.35Å; N532-Q566 PolarHBondContact ND2-OE1 2.94Å; N532-Q566 PolarHBondContact OD1-NE2 3.19Å; N532-Q566 PolarHBondContact OD1-OE1 3.36Å; N532-Q566 VanDerWaalsContact OD1-OE1 3.13Å; N532-N569 PolarHBondContact OD1-ND2 3.11Å
533	F	86.6	Confident	86.3	Confident	121 Å²	121	55.6 Å²	55.6	53%	0.531	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-43.3	-178.9	175	-98.5	0	0	0	112.9	M529 I530 L531	M529-F533 PolarHBondContact O-N 2.79Å; I530-F533 PolarHBondContact O-N 2.84Å; L531-F533 PolarHBondContact O-N 3.01Å
534	F	90.3	Very high	86.7	Confident	113 Å²	113	55.1 Å²	55.1	50%	0.496	26%	0.262	S	S	.	.	H	α-helix	trans	-71.5	-43.2	177.5	-72.6	-64.9	0	0	0	112.2	W470 I530 L531 N532 E536 K537 V538	W470-F534 HydrophobicContact CH2-CB 3.94Å; W470-F534 HydrophobicContact CZ3-CB 4.37Å; I530-F534 HydrophobicContact CG2-CD2 4.04Å; I530-F534 HydrophobicContact CG2-CE2 3.82Å; I530-F534 VanDerWaalsContact O-CD2 3.27Å; I530-F534 WeakPolarHBondContact O-CD2 3.18Å; I530-F534 PolarHBondContact O-N 2.92Å; L531-F534 PolarHBondContact O-N 3.43Å; N532-F534 PolarHBondContact O-N 2.96Å; F534-E536 VanDerWaalsContact C-N 3.33Å; F534-E536 PolarHBondContact O-N 2.7Å; F534-K537 PolarHBondContact O-N 3.46Å; F534-V538 PolarHBondContact O-N 3.48Å
535	Y	90.8	Very high	87.4	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-67	-31.8	-176.7	-171.8	-96	0	0	0	113.2	W470 L531 N532 K537 V538 A539 K561 F565	W470-Y535 HydrophobicContact CB-CD2 3.73Å; W470-Y535 HydrophobicContact CB-CE2 3.63Å; W470-Y535 AromaticContact CD2-CD2 3.87Å; W470-Y535 HydrophobicContact CD2-CD2 3.87Å; W470-Y535 HydrophobicContact CE3-CD2 4.16Å; W470-Y535 AromaticContact CG-CD2 3.67Å; W470-Y535 HydrophobicContact CG-CD2 3.67Å; W470-Y535 AromaticContact CG-CE2 3.87Å; W470-Y535 HydrophobicContact CG-CE2 3.87Å; L531-Y535 WeakPolarHBondContact O-CB 3.18Å; L531-Y535 PolarHBondContact O-N 2.78Å; N532-Y535 PolarHBondContact O-N 3.04Å; Y535-K537 VanDerWaalsContact C-N 3.28Å; Y535-K537 PolarHBondContact O-N 3.34Å; Y535-V538 PolarHBondContact O-N 3.02Å; Y535-A539 HydrophobicContact CD1-CB 4.23Å; Y535-A539 HydrophobicContact CE1-CB 3.87Å; Y535-A539 WeakPolarHBondContact O-CB 3.23Å; Y535-A539 PolarHBondContact O-N 3.18Å; Y535-K561 PolarHBondContact OH-O 3.45Å; Y535-F565 HydrophobicContact CD1-CB 3.68Å; Y535-F565 AromaticContact CD1-CD1 3.48Å; Y535-F565 HydrophobicContact CD1-CD1 3.48Å; Y535-F565 VanDerWaalsContact CD1-CD1 3.48Å; Y535-F565 AromaticContact CD1-CD2 3.74Å; Y535-F565 HydrophobicContact CD1-CD2 3.74Å; Y535-F565 AromaticContact CD1-CE1 3.96Å; Y535-F565 HydrophobicContact CD1-CE1 3.96Å; Y535-F565 HydrophobicContact CD1-CE2 4.19Å; Y535-F565 AromaticContact CD1-CG 3.35Å; Y535-F565 HydrophobicContact CD1-CG 3.35Å; Y535-F565 HydrophobicContact CD1-CZ 4.28Å; Y535-F565 HydrophobicContact CD2-CD1 4.48Å; Y535-F565 AromaticContact CD2-CD2 3.35Å; Y535-F565 HydrophobicContact CD2-CD2 3.35Å; Y535-F565 AromaticContact CD2-CE2 3.45Å; Y535-F565 HydrophobicContact CD2-CE2 3.45Å; Y535-F565 VanDerWaalsContact CD2-CE2 3.45Å; Y535-F565 AromaticContact CD2-CG 3.91Å; Y535-F565 HydrophobicContact CD2-CG 3.91Å; Y535-F565 HydrophobicContact CD2-CZ 4.07Å; Y535-F565 HydrophobicContact CE1-CB 3.29Å; Y535-F565 HydrophobicContact CE1-CD1 4.07Å; Y535-F565 AromaticContact CE1-CD2 3.94Å; Y535-F565 HydrophobicContact CE1-CD2 3.94Å; Y535-F565 AromaticContact CE1-CG 3.52Å; Y535-F565 HydrophobicContact CE1-CG 3.52Å; Y535-F565 HydrophobicContact CE2-CB 4.23Å; Y535-F565 AromaticContact CE2-CD2 3.55Å; Y535-F565 HydrophobicContact CE2-CD2 3.55Å; Y535-F565 HydrophobicContact CE2-CE2 4.1Å; Y535-F565 HydrophobicContact CE2-CG 4.04Å; Y535-F565 HydrophobicContact CG-CB 4.29Å; Y535-F565 AromaticContact CG-CD1 3.72Å; Y535-F565 HydrophobicContact CG-CD1 3.72Å; Y535-F565 AromaticContact CG-CD2 3.44Å; Y535-F565 HydrophobicContact CG-CD2 3.44Å; Y535-F565 VanDerWaalsContact CG-CD2 3.44Å; Y535-F565 AromaticContact CG-CE1 3.76Å; Y535-F565 HydrophobicContact CG-CE1 3.76Å; Y535-F565 AromaticContact CG-CE2 3.48Å; Y535-F565 HydrophobicContact CG-CE2 3.48Å; Y535-F565 VanDerWaalsContact CG-CE2 3.48Å; Y535-F565 AromaticContact CG-CG 3.55Å; Y535-F565 HydrophobicContact CG-CG 3.55Å; Y535-F565 AromaticContact CG-CZ 3.63Å; Y535-F565 HydrophobicContact CG-CZ 3.63Å; Y535-F565 AromaticContact CZ-CD2 3.83Å; Y535-F565 AromaticContact CZ-CG 3.85Å
536	E	89	Confident	88.1	Confident	47 Å²	47	52.1 Å²	52.1	22%	0.22	25%	0.249	C	C	.	.	H	α-helix	trans	-52.6	-47.8	172.3	-171.1	-154.1	108.7	0	0	111.4	N532 F534 V538 A539 I540 M562 Y676	N532-E536 PolarHBondContact O-N 3.43Å; N532-E536 VanDerWaalsContact O-N 3.07Å; F534-E536 VanDerWaalsContact C-N 3.33Å; F534-E536 PolarHBondContact O-N 2.7Å; E536-V538 PolarHBondContact O-N 3.3Å; E536-A539 PolarHBondContact O-N 3.32Å; E536-I540 HydrophobicContact CG-CD1 4.22Å; E536-I540 WeakPolarHBondContact O-CG1 3.42Å; E536-I540 PolarHBondContact O-N 2.87Å; E536-I540 VanDerWaalsContact O-N 3.14Å; E536-M562 HydrophobicContact CG-CE 4.1Å; E536-Y676 WeakPolarHBondContact CG-OH 3.19Å; E536-Y676 PolarHBondContact OE2-OH 3.44Å
537	K	90.5	Very high	88.5	Confident	109 Å²	109	49.6 Å²	49.6	47%	0.474	23%	0.232	S	C	.	.	H	α-helix	trans	-68.4	-37.3	-178.6	-52.5	-49.7	178	-165.1	0	111.8	F534 Y535 W541	F534-K537 PolarHBondContact O-N 3.46Å; Y535-K537 VanDerWaalsContact C-N 3.28Å; Y535-K537 PolarHBondContact O-N 3.34Å; K537-W541 WeakPolarHBondContact O-CB 3.24Å; K537-W541 PolarHBondContact O-N 3.29Å; K537-W541 VanDerWaalsContact O-N 3.08Å
538	V	92.8	Very high	88.7	Confident	30 Å²	30	47.5 Å²	47.5	18%	0.182	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-45.3	175	173.1	0	0	0	0	111.2	T466 W470 F534 Y535 E536 I540 W541 I542	T466-V538 HydrophobicContact CG2-CG1 4.25Å; W470-V538 HydrophobicContact CZ2-CG2 3.95Å; F534-V538 PolarHBondContact O-N 3.48Å; Y535-V538 PolarHBondContact O-N 3.02Å; E536-V538 PolarHBondContact O-N 3.3Å; V538-I540 PolarHBondContact O-N 2.85Å; V538-W541 PolarHBondContact O-N 3.34Å; V538-I542 HydrophobicContact CG1-CD1 3.57Å; V538-I542 HydrophobicContact CG1-CG1 4.22Å; V538-I542 VanDerWaalsContact O-CG1 3.24Å; V538-I542 WeakPolarHBondContact O-CG1 3.5Å; V538-I542 PolarHBondContact O-N 3.12Å
539	A	92.4	Very high	88.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.5	-39.2	-178.5	0	0	0	0	0	112.8	Y535 E536 T543 L558 M562	Y535-A539 HydrophobicContact CD1-CB 4.23Å; Y535-A539 HydrophobicContact CE1-CB 3.87Å; Y535-A539 WeakPolarHBondContact O-CB 3.23Å; Y535-A539 PolarHBondContact O-N 3.18Å; E536-A539 PolarHBondContact O-N 3.32Å; A539-T543 WeakPolarHBondContact O-CB 3.46Å; A539-T543 PolarHBondContact O-N 2.8Å; A539-T543 VanDerWaalsContact O-N 3.15Å; A539-T543 PolarHBondContact O-OG1 2.63Å; A539-L558 HydrophobicContact CB-CD1 3.96Å; A539-L558 WeakPolarHBondContact O-CD1 3.42Å; A539-M562 HydrophobicContact CB-CG 3.75Å
540	I	90.8	Very high	89.2	Confident	38 Å²	38	45.4 Å²	45.4	20%	0.195	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-53.8	171.8	-66.7	166.1	0	0	0	109.8	E536 V538 I542 T543 D544 L558 I672	E536-I540 HydrophobicContact CG-CD1 4.22Å; E536-I540 WeakPolarHBondContact O-CG1 3.42Å; E536-I540 PolarHBondContact O-N 2.87Å; E536-I540 VanDerWaalsContact O-N 3.14Å; V538-I540 PolarHBondContact O-N 2.85Å; I540-I542 PolarHBondContact O-N 3.42Å; I540-T543 PolarHBondContact O-N 3.32Å; I540-D544 PolarHBondContact O-N 2.94Å; I540-L558 HydrophobicContact CG1-CD1 4.3Å; I540-I672 HydrophobicContact CD1-CD1 3.77Å; I540-I672 HydrophobicContact CG1-CD1 4.16Å
541	W	92.1	Very high	88.8	Confident	148 Å²	148	44 Å²	44	56%	0.561	20%	0.202	S	C	*	.	H	α-helix	trans	-56.5	-44.9	-178.6	175.5	75.8	0	0	0	113.2	F462 K537 V538 T543 D544 M545	F462-W541 AromaticContact CE1-CH2 3.9Å; F462-W541 HydrophobicContact CE1-CH2 3.9Å; F462-W541 HydrophobicContact CE1-CZ3 4.05Å; F462-W541 HydrophobicContact CZ-CH2 4.27Å; K537-W541 WeakPolarHBondContact O-CB 3.24Å; K537-W541 PolarHBondContact O-N 3.29Å; K537-W541 VanDerWaalsContact O-N 3.08Å; V538-W541 PolarHBondContact O-N 3.34Å; W541-T543 VanDerWaalsContact C-N 3.34Å; W541-T543 PolarHBondContact O-N 3.19Å; W541-D544 PolarHBondContact O-N 2.71Å; W541-M545 WeakPolarHBondContact O-CB 3.49Å; W541-M545 PolarHBondContact O-N 3.05Å
542	I	93.4	Very high	88.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-41	175.5	-65.2	166.2	0	0	0	111.1	S463 T466 V538 I540 M545 E546 K561	S463-I542 WeakPolarHBondContact OG-CG2 3.34Å; T466-I542 HydrophobicContact CG2-CD1 3.62Å; T466-I542 HydrophobicContact CG2-CG1 4.44Å; V538-I542 HydrophobicContact CG1-CD1 3.57Å; V538-I542 HydrophobicContact CG1-CG1 4.22Å; V538-I542 VanDerWaalsContact O-CG1 3.24Å; V538-I542 WeakPolarHBondContact O-CG1 3.5Å; V538-I542 PolarHBondContact O-N 3.12Å; I540-I542 PolarHBondContact O-N 3.42Å; I542-M545 HydrophobicContact CG2-CE 4.49Å; I542-M545 WeakPolarHBondContact O-CB 3.41Å; I542-M545 PolarHBondContact O-N 2.79Å; I542-E546 PolarHBondContact O-N 2.92Å; I542-K561 HydrophobicContact CG2-CD 4.2Å
543	T	92	Very high	88.4	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-77.7	-27.3	-175.2	-49	0	0	0	0	112.3	A539 I540 W541 E546 P548 Y554 R557 L558 K561	A539-T543 WeakPolarHBondContact O-CB 3.46Å; A539-T543 PolarHBondContact O-N 2.8Å; A539-T543 VanDerWaalsContact O-N 3.15Å; A539-T543 PolarHBondContact O-OG1 2.63Å; I540-T543 PolarHBondContact O-N 3.32Å; W541-T543 VanDerWaalsContact C-N 3.34Å; W541-T543 PolarHBondContact O-N 3.19Å; T543-E546 WeakPolarHBondContact O-CB 3.38Å; T543-E546 PolarHBondContact O-N 2.65Å; T543-P548 WeakPolarHBondContact O-CD 3.5Å; T543-Y554 HydrophobicContact CG2-CD2 3.61Å; T543-Y554 HydrophobicContact CG2-CE2 3.7Å; T543-R557 HydrophobicContact CG2-CB 3.95Å; T543-L558 HydrophobicContact CG2-CB 4.25Å; T543-K561 PolarHBondContact OG1-NZ 3.3Å
544	D	89.6	Confident	88.4	Confident	53 Å²	53	43.1 Å²	43.1	28%	0.283	20%	0.199	S	C	.	.	H	α-helix	trans	-73.4	-31.6	167.6	-80.3	-31.7	0	0	0	112.7	R428 I540 W541 E546 I547 Y554	R428-D544 IonicContact NH1-OD1 3.52Å; R428-D544 IonicContact NH2-OD1 3.47Å; R428-D544 PolarHBondContact NH2-OD1 3.21Å; I540-D544 PolarHBondContact O-N 2.94Å; W541-D544 PolarHBondContact O-N 2.71Å; D544-E546 VanDerWaalsContact C-N 3.3Å; D544-I547 PolarHBondContact O-N 2.77Å; D544-Y554 WeakPolarHBondContact OD1-CE2 3.34Å
545	M	90.3	Very high	88.2	Confident	48 Å²	48	40.4 Å²	40.4	24%	0.236	19%	0.188	C	C	.	.	H	α-helix	trans	-67.8	-28.5	170.9	-176.1	-144.7	63.3	0	0	112.4	R459 F462 W541 I542 I547	R459-M545 HydrophobicContact CB-CE 4.06Å; R459-M545 HydrophobicContact CG-CE 4.46Å; R459-M545 WeakPolarHBondContact O-CE 3.47Å; F462-M545 HydrophobicContact CD1-CE 3.93Å; F462-M545 HydrophobicContact CD1-SD 3.67Å; F462-M545 HydrophobicContact CE1-SD 4.01Å; W541-M545 WeakPolarHBondContact O-CB 3.49Å; W541-M545 PolarHBondContact O-N 3.05Å; I542-M545 HydrophobicContact CG2-CE 4.49Å; I542-M545 WeakPolarHBondContact O-CB 3.41Å; I542-M545 PolarHBondContact O-N 2.79Å; M545-I547 VanDerWaalsContact C-N 3.33Å; M545-I547 PolarHBondContact O-N 3.48Å
546	E	89.7	Confident	88.1	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.019	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-21.8	176.8	-91.5	177.5	-153.7	0	0	114.7	S463 I542 T543 D544 R557 K561	S463-E546 VanDerWaalsContact CB-OE1 3.23Å; S463-E546 WeakPolarHBondContact CB-OE1 3.5Å; S463-E546 PolarHBondContact OG-OE1 3.34Å; I542-E546 PolarHBondContact O-N 2.92Å; T543-E546 WeakPolarHBondContact O-CB 3.38Å; T543-E546 PolarHBondContact O-N 2.65Å; D544-E546 VanDerWaalsContact C-N 3.3Å; E546-R557 WeakPolarHBondContact OE2-CD 3.36Å; E546-R557 IonicContact OE2-CZ 2.72Å; E546-R557 IonicContact OE2-NE 2.74Å; E546-R557 IonicContact OE2-NH1 2.73Å; E546-R557 PolarHBondContact OE2-NH1 3.33Å; E546-K561 VanDerWaalsContact CD-NZ 3.29Å; E546-K561 WeakPolarHBondContact OE1-CE 3.32Å; E546-K561 IonicContact OE1-NZ 2.74Å; E546-K561 PolarHBondContact OE1-NZ 3.4Å; E546-K561 IonicContact OE2-NZ 2.78Å; E546-K561 PolarHBondContact OE2-NZ 3.18Å; E546-K561 VanDerWaalsContact OE2-NZ 3.12Å
547	I	88.6	Confident	88.2	Confident	25 Å²	25	42 Å²	42	13%	0.128	20%	0.195	C	C	.	.			trans	47.6	65.1	179.9	-38.2	-177.9	0	0	0	113.7	F431 K434 R459 D544 M545	F431-I547 HydrophobicContact CD2-CG2 3.91Å; F431-I547 WeakPolarHBondContact CD2-O 3.42Å; F431-I547 WeakPolarHBondContact CE2-O 3.32Å; K434-I547 HydrophobicContact CB-CD1 4.06Å; K434-I547 HydrophobicContact CB-CG2 4.14Å; K434-I547 HydrophobicContact CD-CD1 4.12Å; K434-I547 HydrophobicContact CD-CG1 4.35Å; K434-I547 HydrophobicContact CD-CG2 4.06Å; R459-I547 VanDerWaalsContact NH1-CD1 3.35Å; D544-I547 PolarHBondContact O-N 2.77Å; M545-I547 VanDerWaalsContact C-N 3.33Å; M545-I547 PolarHBondContact O-N 3.48Å
548	P	87.6	Confident	88.3	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.013	17%	0.174	C	C	.	.			trans	-70.4	152.9	174.2	28.5	-33.9	0	0	0	113.4	F431 T543 E553 Y554	F431-P548 WeakPolarHBondContact CD2-O 3.35Å; T543-P548 WeakPolarHBondContact O-CD 3.5Å; P548-E553 VanDerWaalsContact CA-OE2 3.3Å; P548-E553 WeakPolarHBondContact CA-OE2 3.44Å; P548-E553 HydrophobicContact CB-CB 4.07Å; P548-E553 HydrophobicContact CB-CG 3.93Å; P548-E553 VanDerWaalsContact CB-OE2 3.23Å; P548-E553 WeakPolarHBondContact CB-OE2 3.44Å; P548-Y554 HydrophobicContact CG-CD2 3.8Å; P548-Y554 HydrophobicContact CG-CG 4.25Å
549	K	83.5	Confident	88.2	Confident	50 Å²	50	36.1 Å²	36.1	22%	0.217	17%	0.169	C	C	.	.	S	Bend	trans	-71.3	-48.6	-172.2	-167.4	-166.6	-171.5	-160.4	0	112.5	Q423 I427 R428 F431 E448 E553	Q423-K549 PolarHBondContact O-NZ 3.05Å; Q423-K549 VanDerWaalsContact O-NZ 3.14Å; I427-K549 HydrophobicContact CG2-CG 4.22Å; R428-K549 PolarHBondContact N-O 3.04Å; F431-K549 HydrophobicContact CD1-CG 4.24Å; F431-K549 HydrophobicContact CD2-CB 4.32Å; F431-K549 HydrophobicContact CE1-CG 4.02Å; F431-K549 HydrophobicContact CE2-CB 4.11Å; F431-K549 HydrophobicContact CE2-CG 4.47Å; F431-K549 HydrophobicContact CZ-CB 4.23Å; F431-K549 HydrophobicContact CZ-CG 4.15Å; E448-K549 WeakPolarHBondContact OE2-CE 3.02Å; E448-K549 IonicContact OE2-NZ 3.25Å; E448-K549 PolarHBondContact OE2-NZ 3.23Å; K549-E553 PolarHBondContact N-OE2 3.42Å
550	T	83.1	Confident	88.2	Confident	22 Å²	22	40 Å²	40	14%	0.135	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-113.3	165.8	-172	67.2	0	0	0	0	112	E553 Y554	T550-E553 WeakPolarHBondContact OG1-CB 3.43Å; T550-E553 PolarHBondContact OG1-N 2.79Å; T550-E553 VanDerWaalsContact OG1-N 3.14Å; T550-Y554 PolarHBondContact O-N 3.4Å
551	H	79.4	Confident	88.3	Confident	61 Å²	61	39 Å²	39	28%	0.282	18%	0.182	S	C	.	.	H	α-helix	trans	-66.8	-38.5	174.1	-92.3	-57.1	0	0	0	112.6	K239 Y554 E555	K239-H551 PolarHBondContact NZ-CE1 2.75Å; K239-H551 PolarHBondContact NZ-NE2 2.97Å; H551-Y554 WeakPolarHBondContact O-CB 3.06Å; H551-Y554 PolarHBondContact O-N 2.75Å; H551-E555 WeakPolarHBondContact O-CG 3.39Å; H551-E555 PolarHBondContact O-N 2.93Å
552	L	80.6	Confident	88.2	Confident	70 Å²	70	32.1 Å²	32.1	37%	0.366	16%	0.157	S	C	.	.	H	α-helix	trans	-62.5	-42.4	174.5	-179.2	61.3	0	0	0	112.3	Y554 E555 N556	L552-Y554 VanDerWaalsContact C-N 3.33Å; L552-Y554 PolarHBondContact O-N 3.45Å; L552-E555 PolarHBondContact O-N 3.48Å; L552-N556 WeakPolarHBondContact O-CB 3.26Å; L552-N556 PolarHBondContact O-N 3.44Å
553	E	83.9	Confident	88.2	Confident	54 Å²	54	32.5 Å²	32.5	25%	0.252	16%	0.158	S	C	.	.	H	α-helix	trans	-63.9	-39	177.1	-166.2	-167	-169.4	0	0	111.4	P548 K549 T550 R557	P548-E553 VanDerWaalsContact CA-OE2 3.3Å; P548-E553 WeakPolarHBondContact CA-OE2 3.44Å; P548-E553 HydrophobicContact CB-CB 4.07Å; P548-E553 HydrophobicContact CB-CG 3.93Å; P548-E553 VanDerWaalsContact CB-OE2 3.23Å; P548-E553 WeakPolarHBondContact CB-OE2 3.44Å; K549-E553 PolarHBondContact N-OE2 3.42Å; T550-E553 WeakPolarHBondContact OG1-CB 3.43Å; T550-E553 PolarHBondContact OG1-N 2.79Å; T550-E553 VanDerWaalsContact OG1-N 3.14Å; E553-R557 HydrophobicContact CG-CG 4.45Å; E553-R557 VanDerWaalsContact O-CB 3.27Å; E553-R557 WeakPolarHBondContact O-CB 3.11Å; E553-R557 WeakPolarHBondContact O-CD 3.28Å; E553-R557 WeakPolarHBondContact O-CG 3.4Å; E553-R557 PolarHBondContact O-N 2.92Å; E553-R557 IonicContact OE1-CZ 3.68Å; E553-R557 VanDerWaalsContact OE1-CZ 3.28Å; E553-R557 IonicContact OE1-NE 2.85Å; E553-R557 PolarHBondContact OE1-NE 3.33Å; E553-R557 IonicContact OE1-NH2 2.71Å; E553-R557 PolarHBondContact OE1-NH2 3.49Å; E553-R557 IonicContact OE2-NH2 3.98Å
554	Y	86.9	Confident	88.2	Confident	29 Å²	29	37 Å²	37	11%	0.114	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-51.1	174.4	178.2	-102.5	0	0	0	112.4	R428 T543 D544 P548 T550 H551 L552 N556 R557 L558	R428-Y554 VanDerWaalsContact NH1-CG 3.28Å; T543-Y554 HydrophobicContact CG2-CD2 3.61Å; T543-Y554 HydrophobicContact CG2-CE2 3.7Å; D544-Y554 WeakPolarHBondContact OD1-CE2 3.34Å; P548-Y554 HydrophobicContact CG-CD2 3.8Å; P548-Y554 HydrophobicContact CG-CG 4.25Å; T550-Y554 PolarHBondContact O-N 3.4Å; H551-Y554 WeakPolarHBondContact O-CB 3.06Å; H551-Y554 PolarHBondContact O-N 2.75Å; L552-Y554 VanDerWaalsContact C-N 3.33Å; L552-Y554 PolarHBondContact O-N 3.45Å; Y554-N556 PolarHBondContact O-N 3.22Å; Y554-R557 PolarHBondContact O-N 2.85Å; Y554-L558 HydrophobicContact CE1-CD2 4.21Å; Y554-L558 WeakPolarHBondContact O-CB 3.39Å; Y554-L558 PolarHBondContact O-N 3.44Å
555	E	86	Confident	88.3	Confident	56 Å²	56	34.5 Å²	34.5	26%	0.262	17%	0.167	S	C	.	.	H	α-helix	trans	-63	-43.3	-178.7	-71.2	-178.7	177.6	0	0	111.7	K300 H551 L552 L558 T559	K300-E555 IonicContact NZ-OE1 3.61Å; K300-E555 PolarHBondContact NZ-OE1 2.89Å; K300-E555 IonicContact NZ-OE2 3.93Å; K300-E555 PolarHBondContact NZ-OE2 3.29Å; H551-E555 WeakPolarHBondContact O-CG 3.39Å; H551-E555 PolarHBondContact O-N 2.93Å; L552-E555 PolarHBondContact O-N 3.48Å; E555-L558 PolarHBondContact O-N 3.05Å; E555-T559 WeakPolarHBondContact O-CB 3.49Å; E555-T559 PolarHBondContact O-N 3.25Å; E555-T559 PolarHBondContact O-OG1 3.08Å
556	N	88.7	Confident	88.2	Confident	44 Å²	44	32.9 Å²	32.9	24%	0.235	16%	0.159	C	C	.	.	H	α-helix	trans	-62.5	-45.5	176.3	-74.7	-16.5	0	0	0	112	L552 Y554 L558 T559 I560 A734	L552-N556 WeakPolarHBondContact O-CB 3.26Å; L552-N556 PolarHBondContact O-N 3.44Å; Y554-N556 PolarHBondContact O-N 3.22Å; N556-L558 VanDerWaalsContact C-N 3.34Å; N556-L558 PolarHBondContact O-N 2.85Å; N556-T559 PolarHBondContact O-N 3.38Å; N556-I560 WeakPolarHBondContact O-CG1 3.48Å; N556-I560 PolarHBondContact O-N 2.88Å; N556-A734 HydrophobicContact CB-CB 3.94Å; N556-A734 PolarHBondContact OD1-N 3.46Å
557	R	90.7	Very high	88.3	Confident	39 Å²	39	34 Å²	34	15%	0.147	16%	0.164	C	C	.	.	H	α-helix	trans	-67.8	-29.9	178.1	-75.1	168	170.3	-137.2	30.1	113.6	T543 E546 E553 Y554 K561	T543-R557 HydrophobicContact CG2-CB 3.95Å; E546-R557 WeakPolarHBondContact OE2-CD 3.36Å; E546-R557 IonicContact OE2-CZ 2.72Å; E546-R557 IonicContact OE2-NE 2.74Å; E546-R557 IonicContact OE2-NH1 2.73Å; E546-R557 PolarHBondContact OE2-NH1 3.33Å; E553-R557 HydrophobicContact CG-CG 4.45Å; E553-R557 VanDerWaalsContact O-CB 3.27Å; E553-R557 WeakPolarHBondContact O-CB 3.11Å; E553-R557 WeakPolarHBondContact O-CD 3.28Å; E553-R557 WeakPolarHBondContact O-CG 3.4Å; E553-R557 PolarHBondContact O-N 2.92Å; E553-R557 IonicContact OE1-CZ 3.68Å; E553-R557 VanDerWaalsContact OE1-CZ 3.28Å; E553-R557 IonicContact OE1-NE 2.85Å; E553-R557 PolarHBondContact OE1-NE 3.33Å; E553-R557 IonicContact OE1-NH2 2.71Å; E553-R557 PolarHBondContact OE1-NH2 3.49Å; E553-R557 IonicContact OE2-NH2 3.98Å; Y554-R557 PolarHBondContact O-N 2.85Å; R557-K561 WeakPolarHBondContact O-CG 3.34Å; R557-K561 PolarHBondContact O-NZ 3.42Å
558	L	91.2	Very high	88.4	Confident	6 Å²	6	34.2 Å²	34.2	3%	0.031	17%	0.166	C	C	.	.	H	α-helix	trans	-74.3	-46.7	173.5	-178.9	61.5	0	0	0	110.1	A539 I540 T543 Y554 E555 N556 I560 K561 M562 I672	A539-L558 HydrophobicContact CB-CD1 3.96Å; A539-L558 WeakPolarHBondContact O-CD1 3.42Å; I540-L558 HydrophobicContact CG1-CD1 4.3Å; T543-L558 HydrophobicContact CG2-CB 4.25Å; Y554-L558 HydrophobicContact CE1-CD2 4.21Å; Y554-L558 WeakPolarHBondContact O-CB 3.39Å; Y554-L558 PolarHBondContact O-N 3.44Å; E555-L558 PolarHBondContact O-N 3.05Å; N556-L558 VanDerWaalsContact C-N 3.34Å; N556-L558 PolarHBondContact O-N 2.85Å; L558-I560 PolarHBondContact O-N 3.06Å; L558-K561 PolarHBondContact O-N 2.9Å; L558-M562 HydrophobicContact CD1-CG 4.04Å; L558-M562 HydrophobicContact CD1-SD 3.75Å; L558-M562 HydrophobicContact CD2-SD 4.27Å; L558-M562 HydrophobicContact CG-CG 4.34Å; L558-M562 HydrophobicContact CG-SD 3.75Å; L558-M562 WeakPolarHBondContact O-CG 3.36Å; L558-M562 PolarHBondContact O-N 3.49Å; L558-I672 HydrophobicContact CD2-CD1 4.21Å
559	T	91.9	Very high	88.3	Confident	10 Å²	10	34.4 Å²	34.4	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-54.4	-49	179.7	-63.2	0	0	0	0	111.7	E555 N556 K561 M562 F563 F675 A734 W735 I738	E555-T559 WeakPolarHBondContact O-CB 3.49Å; E555-T559 PolarHBondContact O-N 3.25Å; E555-T559 PolarHBondContact O-OG1 3.08Å; N556-T559 PolarHBondContact O-N 3.38Å; T559-K561 PolarHBondContact O-N 2.73Å; T559-M562 PolarHBondContact O-N 3.46Å; T559-F563 VanDerWaalsContact O-CB 3.23Å; T559-F563 WeakPolarHBondContact O-CB 3.39Å; T559-F563 PolarHBondContact O-N 3.16Å; T559-F675 HydrophobicContact CG2-CD2 4.1Å; T559-F675 HydrophobicContact CG2-CE2 4.06Å; T559-A734 HydrophobicContact CG2-CB 4.14Å; T559-W735 HydrophobicContact CG2-CD2 3.8Å; T559-W735 HydrophobicContact CG2-CE3 4.07Å; T559-W735 HydrophobicContact CG2-CG 4.48Å; T559-W735 HydrophobicContact CG2-CH2 3.96Å; T559-W735 HydrophobicContact CG2-CZ2 3.67Å; T559-W735 HydrophobicContact CG2-CZ3 4.14Å; T559-I738 HydrophobicContact CG2-CD1 3.84Å
560	I	91.7	Very high	88.4	Confident	81 Å²	81	33.9 Å²	33.9	42%	0.415	16%	0.164	S	C	.	.	H	α-helix	trans	-62.3	-43.1	179.8	-66.9	166.4	0	0	0	111.7	N556 L558 M564 A734	N556-I560 WeakPolarHBondContact O-CG1 3.48Å; N556-I560 PolarHBondContact O-N 2.88Å; L558-I560 PolarHBondContact O-N 3.06Å; I560-M564 HydrophobicContact CG2-CG 4.42Å; I560-M564 WeakPolarHBondContact O-CB 3.25Å; I560-M564 VanDerWaalsContact O-CG 3.24Å; I560-M564 WeakPolarHBondContact O-CG 3.24Å; I560-M564 PolarHBondContact O-N 2.91Å; I560-A734 HydrophobicContact CD1-CB 4.23Å; I560-A734 HydrophobicContact CG1-CB 4.01Å
561	K	92.5	Very high	88.7	Confident	16 Å²	16	32.9 Å²	32.9	7%	0.07	16%	0.158	C	C	.	.	H	α-helix	trans	-65.4	-47.3	178.7	-66.4	-176.7	-165	83	0	111.9	S463 V467 Y535 I542 T543 E546 R557 L558 T559 M564 F565	S463-K561 WeakPolarHBondContact OG-CE 3.49Å; V467-K561 HydrophobicContact CG2-CB 4.38Å; V467-K561 HydrophobicContact CG2-CD 4.13Å; V467-K561 HydrophobicContact CG2-CG 4.04Å; Y535-K561 PolarHBondContact OH-O 3.45Å; I542-K561 HydrophobicContact CG2-CD 4.2Å; T543-K561 PolarHBondContact OG1-NZ 3.3Å; E546-K561 VanDerWaalsContact CD-NZ 3.29Å; E546-K561 WeakPolarHBondContact OE1-CE 3.32Å; E546-K561 IonicContact OE1-NZ 2.74Å; E546-K561 PolarHBondContact OE1-NZ 3.4Å; E546-K561 IonicContact OE2-NZ 2.78Å; E546-K561 PolarHBondContact OE2-NZ 3.18Å; E546-K561 VanDerWaalsContact OE2-NZ 3.12Å; R557-K561 WeakPolarHBondContact O-CG 3.34Å; R557-K561 PolarHBondContact O-NZ 3.42Å; L558-K561 PolarHBondContact O-N 2.9Å; T559-K561 PolarHBondContact O-N 2.73Å; K561-M564 PolarHBondContact O-N 3.48Å; K561-F565 PolarHBondContact O-N 2.85Å
562	M	91.3	Very high	89.1	Confident	4 Å²	4	31 Å²	31	2%	0.02	15%	0.151	C	C	.	.	H	α-helix	trans	-64.5	-44.4	178.7	-67.4	-176.4	74.1	0	0	111	E536 A539 L558 T559 F565 Q566 F675 Y676	E536-M562 HydrophobicContact CG-CE 4.1Å; A539-M562 HydrophobicContact CB-CG 3.75Å; L558-M562 HydrophobicContact CD1-CG 4.04Å; L558-M562 HydrophobicContact CD1-SD 3.75Å; L558-M562 HydrophobicContact CD2-SD 4.27Å; L558-M562 HydrophobicContact CG-CG 4.34Å; L558-M562 HydrophobicContact CG-SD 3.75Å; L558-M562 WeakPolarHBondContact O-CG 3.36Å; L558-M562 PolarHBondContact O-N 3.49Å; T559-M562 PolarHBondContact O-N 3.46Å; M562-F565 PolarHBondContact O-N 2.84Å; M562-Q566 VanDerWaalsContact O-CG 3.23Å; M562-Q566 WeakPolarHBondContact O-CG 3.38Å; M562-Q566 PolarHBondContact O-N 3.12Å; M562-F675 HydrophobicContact CB-CE1 4.06Å; M562-F675 HydrophobicContact CB-CE2 3.85Å; M562-F675 HydrophobicContact CB-CZ 3.35Å; M562-F675 HydrophobicContact CE-CD1 4.06Å; M562-F675 HydrophobicContact CE-CE1 3.48Å; M562-F675 VanDerWaalsContact CE-CE1 3.48Å; M562-F675 HydrophobicContact CE-CZ 4.05Å; M562-F675 HydrophobicContact CG-CZ 4.27Å; M562-F675 HydrophobicContact SD-CD1 4.27Å; M562-F675 HydrophobicContact SD-CE1 3.89Å; M562-F675 HydrophobicContact SD-CZ 4.05Å; M562-Y676 HydrophobicContact CE-CE1 4.28Å
563	F	92.9	Very high	89.2	Confident	9 Å²	9	28.2 Å²	28.2	4%	0.039	14%	0.138	C	C	.	.	H	α-helix	trans	-61.1	-47.6	176.1	177.6	-100.1	0	0	0	112.7	T559 F565 Q566 F567 L679 V682 I683 W735 I738 V742	T559-F563 VanDerWaalsContact O-CB 3.23Å; T559-F563 WeakPolarHBondContact O-CB 3.39Å; T559-F563 PolarHBondContact O-N 3.16Å; F563-F565 VanDerWaalsContact C-N 3.26Å; F563-F565 PolarHBondContact O-N 3Å; F563-Q566 PolarHBondContact O-N 3.46Å; F563-Q566 VanDerWaalsContact O-N 3.15Å; F563-F567 HydrophobicContact CE1-CB 4.13Å; F563-F567 AromaticContact CE1-CD2 3.94Å; F563-F567 HydrophobicContact CE1-CD2 3.94Å; F563-F567 HydrophobicContact CE1-CG 4.33Å; F563-F567 HydrophobicContact CE2-CB 4.49Å; F563-F567 HydrophobicContact CE2-CD2 4.4Å; F563-F567 HydrophobicContact CZ-CB 4.12Å; F563-F567 AromaticContact CZ-CD2 3.57Å; F563-F567 HydrophobicContact CZ-CD2 3.57Å; F563-F567 HydrophobicContact CZ-CG 4.26Å; F563-F567 VanDerWaalsContact O-CB 3.24Å; F563-F567 WeakPolarHBondContact O-CB 3.38Å; F563-F567 PolarHBondContact O-N 3.49Å; F563-L679 HydrophobicContact CD2-CD1 4.24Å; F563-V682 HydrophobicContact CD2-CG1 4.37Å; F563-V682 HydrophobicContact CE2-CG1 3.81Å; F563-I683 HydrophobicContact CE2-CD1 4.19Å; F563-W735 HydrophobicContact CB-CZ3 4.26Å; F563-W735 AromaticContact CD2-CZ3 3.87Å; F563-W735 HydrophobicContact CD2-CZ3 3.87Å; F563-W735 HydrophobicContact CG-CZ3 4.31Å; F563-I738 HydrophobicContact CB-CD1 3.78Å; F563-I738 HydrophobicContact CD1-CB 4.42Å; F563-I738 HydrophobicContact CD1-CD1 3.99Å; F563-I738 HydrophobicContact CD1-CG1 3.88Å; F563-I738 HydrophobicContact CD1-CG2 3.72Å; F563-I738 HydrophobicContact CD2-CD1 4.5Å; F563-I738 HydrophobicContact CD2-CG2 3.86Å; F563-I738 HydrophobicContact CE1-CB 4.42Å; F563-I738 HydrophobicContact CE1-CG1 4.31Å; F563-I738 HydrophobicContact CE1-CG2 3.45Å; F563-I738 VanDerWaalsContact CE1-CG2 3.45Å; F563-I738 HydrophobicContact CE2-CG2 3.59Å; F563-I738 HydrophobicContact CG-CD1 3.81Å; F563-I738 HydrophobicContact CG-CG1 4.19Å; F563-I738 HydrophobicContact CG-CG2 3.9Å; F563-I738 HydrophobicContact CZ-CG2 3.36Å; F563-V742 HydrophobicContact CE1-CG2 4.48Å; F563-V742 HydrophobicContact CZ-CG2 3.85Å
564	M	92.1	Very high	89.3	Confident	95 Å²	95	25.7 Å²	25.7	47%	0.468	13%	0.126	S	C	.	.	H	α-helix	trans	-57.4	-39.4	-179.8	-76.6	-70	179.5	0	0	112.5	I471 I560 K561 V568	I471-M564 HydrophobicContact CD1-CB 4.37Å; I560-M564 HydrophobicContact CG2-CG 4.42Å; I560-M564 WeakPolarHBondContact O-CB 3.25Å; I560-M564 VanDerWaalsContact O-CG 3.24Å; I560-M564 WeakPolarHBondContact O-CG 3.24Å; I560-M564 PolarHBondContact O-N 2.91Å; K561-M564 PolarHBondContact O-N 3.48Å; M564-V568 WeakPolarHBondContact O-CG2 3.39Å; M564-V568 PolarHBondContact O-N 3.34Å
565	F	91.1	Very high	89.5	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.6	-49.8	174	179.6	-90.6	0	0	0	112.2	W470 I474 L531 N532 Y535 K561 M562 F563 F567 V568 N569	W470-F565 HydrophobicContact CB-CD2 4.14Å; W470-F565 HydrophobicContact CB-CE2 4.06Å; W470-F565 HydrophobicContact CE3-CE2 4.05Å; I474-F565 HydrophobicContact CD1-CD1 4.23Å; I474-F565 HydrophobicContact CD1-CD2 3.4Å; I474-F565 VanDerWaalsContact CD1-CD2 3.4Å; I474-F565 HydrophobicContact CD1-CE1 4.15Å; I474-F565 HydrophobicContact CD1-CE2 3.29Å; I474-F565 HydrophobicContact CD1-CG 3.9Å; I474-F565 HydrophobicContact CD1-CZ 3.7Å; I474-F565 HydrophobicContact CG1-CD2 4.42Å; I474-F565 HydrophobicContact CG1-CE2 3.87Å; I474-F565 HydrophobicContact CG1-CZ 4.14Å; L531-F565 HydrophobicContact CB-CZ 4.12Å; N532-F565 WeakPolarHBondContact OD1-CE1 3.35Å; Y535-F565 HydrophobicContact CD1-CB 3.68Å; Y535-F565 AromaticContact CD1-CD1 3.48Å; Y535-F565 HydrophobicContact CD1-CD1 3.48Å; Y535-F565 VanDerWaalsContact CD1-CD1 3.48Å; Y535-F565 AromaticContact CD1-CD2 3.74Å; Y535-F565 HydrophobicContact CD1-CD2 3.74Å; Y535-F565 AromaticContact CD1-CE1 3.96Å; Y535-F565 HydrophobicContact CD1-CE1 3.96Å; Y535-F565 HydrophobicContact CD1-CE2 4.19Å; Y535-F565 AromaticContact CD1-CG 3.35Å; Y535-F565 HydrophobicContact CD1-CG 3.35Å; Y535-F565 HydrophobicContact CD1-CZ 4.28Å; Y535-F565 HydrophobicContact CD2-CD1 4.48Å; Y535-F565 AromaticContact CD2-CD2 3.35Å; Y535-F565 HydrophobicContact CD2-CD2 3.35Å; Y535-F565 AromaticContact CD2-CE2 3.45Å; Y535-F565 HydrophobicContact CD2-CE2 3.45Å; Y535-F565 VanDerWaalsContact CD2-CE2 3.45Å; Y535-F565 AromaticContact CD2-CG 3.91Å; Y535-F565 HydrophobicContact CD2-CG 3.91Å; Y535-F565 HydrophobicContact CD2-CZ 4.07Å; Y535-F565 HydrophobicContact CE1-CB 3.29Å; Y535-F565 HydrophobicContact CE1-CD1 4.07Å; Y535-F565 AromaticContact CE1-CD2 3.94Å; Y535-F565 HydrophobicContact CE1-CD2 3.94Å; Y535-F565 AromaticContact CE1-CG 3.52Å; Y535-F565 HydrophobicContact CE1-CG 3.52Å; Y535-F565 HydrophobicContact CE2-CB 4.23Å; Y535-F565 AromaticContact CE2-CD2 3.55Å; Y535-F565 HydrophobicContact CE2-CD2 3.55Å; Y535-F565 HydrophobicContact CE2-CE2 4.1Å; Y535-F565 HydrophobicContact CE2-CG 4.04Å; Y535-F565 HydrophobicContact CG-CB 4.29Å; Y535-F565 AromaticContact CG-CD1 3.72Å; Y535-F565 HydrophobicContact CG-CD1 3.72Å; Y535-F565 AromaticContact CG-CD2 3.44Å; Y535-F565 HydrophobicContact CG-CD2 3.44Å; Y535-F565 VanDerWaalsContact CG-CD2 3.44Å; Y535-F565 AromaticContact CG-CE1 3.76Å; Y535-F565 HydrophobicContact CG-CE1 3.76Å; Y535-F565 AromaticContact CG-CE2 3.48Å; Y535-F565 HydrophobicContact CG-CE2 3.48Å; Y535-F565 VanDerWaalsContact CG-CE2 3.48Å; Y535-F565 AromaticContact CG-CG 3.55Å; Y535-F565 HydrophobicContact CG-CG 3.55Å; Y535-F565 AromaticContact CG-CZ 3.63Å; Y535-F565 HydrophobicContact CG-CZ 3.63Å; Y535-F565 AromaticContact CZ-CD2 3.83Å; Y535-F565 AromaticContact CZ-CG 3.85Å; K561-F565 PolarHBondContact O-N 2.85Å; M562-F565 PolarHBondContact O-N 2.84Å; F563-F565 VanDerWaalsContact C-N 3.26Å; F563-F565 PolarHBondContact O-N 3Å; F565-F567 VanDerWaalsContact C-N 3.35Å; F565-F567 PolarHBondContact O-N 3.5Å; F565-V568 PolarHBondContact O-N 2.88Å; F565-N569 WeakPolarHBondContact O-CB 3.42Å; F565-N569 PolarHBondContact O-N 3.14Å
566	Q	89.7	Confident	89.5	Confident	13 Å²	13	25.4 Å²	25.4	6%	0.061	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-37.5	-179.2	-65.9	-62	-23.5	0	0	112.6	N532 M562 F563 V568 N569 Y570 L679	N532-Q566 PolarHBondContact ND2-OE1 2.94Å; N532-Q566 PolarHBondContact OD1-NE2 3.19Å; N532-Q566 PolarHBondContact OD1-OE1 3.36Å; N532-Q566 VanDerWaalsContact OD1-OE1 3.13Å; M562-Q566 VanDerWaalsContact O-CG 3.23Å; M562-Q566 WeakPolarHBondContact O-CG 3.38Å; M562-Q566 PolarHBondContact O-N 3.12Å; F563-Q566 PolarHBondContact O-N 3.46Å; F563-Q566 VanDerWaalsContact O-N 3.15Å; Q566-V568 PolarHBondContact O-N 2.92Å; Q566-N569 PolarHBondContact O-N 2.9Å; Q566-Y570 HydrophobicContact CB-CD2 4.29Å; Q566-Y570 HydrophobicContact CB-CE2 4.34Å; Q566-Y570 VanDerWaalsContact O-CD2 3.25Å; Q566-Y570 WeakPolarHBondContact O-CD2 3.33Å; Q566-Y570 PolarHBondContact O-N 3.37Å; Q566-Y570 VanDerWaalsContact OE1-CE2 3.27Å; Q566-L679 HydrophobicContact CB-CD1 4.01Å; Q566-L679 HydrophobicContact CG-CD1 4.18Å; Q566-L679 HydrophobicContact CG-CD2 3.92Å
567	F	91.6	Very high	89.3	Confident	29 Å²	29	23.5 Å²	23.5	13%	0.127	11%	0.114	C	C	.	.	H	α-helix	trans	-54.9	-51.5	174.5	-179.2	-82.3	0	0	0	110.8	F563 F565 Y571 F575 L690 V742 L745	F563-F567 HydrophobicContact CE1-CB 4.13Å; F563-F567 AromaticContact CE1-CD2 3.94Å; F563-F567 HydrophobicContact CE1-CD2 3.94Å; F563-F567 HydrophobicContact CE1-CG 4.33Å; F563-F567 HydrophobicContact CE2-CB 4.49Å; F563-F567 HydrophobicContact CE2-CD2 4.4Å; F563-F567 HydrophobicContact CZ-CB 4.12Å; F563-F567 AromaticContact CZ-CD2 3.57Å; F563-F567 HydrophobicContact CZ-CD2 3.57Å; F563-F567 HydrophobicContact CZ-CG 4.26Å; F563-F567 VanDerWaalsContact O-CB 3.24Å; F563-F567 WeakPolarHBondContact O-CB 3.38Å; F563-F567 PolarHBondContact O-N 3.49Å; F565-F567 VanDerWaalsContact C-N 3.35Å; F565-F567 PolarHBondContact O-N 3.5Å; F567-Y571 HydrophobicContact CB-CD2 4.37Å; F567-Y571 HydrophobicContact CB-CE2 4.48Å; F567-Y571 HydrophobicContact CD1-CD2 4.1Å; F567-Y571 AromaticContact CD2-CD2 3.41Å; F567-Y571 HydrophobicContact CD2-CD2 3.41Å; F567-Y571 VanDerWaalsContact CD2-CD2 3.41Å; F567-Y571 AromaticContact CD2-CE2 3.32Å; F567-Y571 HydrophobicContact CD2-CE2 3.32Å; F567-Y571 HydrophobicContact CE1-CD2 4.11Å; F567-Y571 AromaticContact CE2-CD2 3.43Å; F567-Y571 HydrophobicContact CE2-CD2 3.43Å; F567-Y571 VanDerWaalsContact CE2-CD2 3.43Å; F567-Y571 AromaticContact CE2-CE2 3.5Å; F567-Y571 HydrophobicContact CE2-CE2 3.5Å; F567-Y571 AromaticContact CG-CD2 3.73Å; F567-Y571 HydrophobicContact CG-CD2 3.73Å; F567-Y571 AromaticContact CG-CE2 4Å; F567-Y571 HydrophobicContact CG-CE2 4Å; F567-Y571 AromaticContact CZ-CD2 3.76Å; F567-Y571 HydrophobicContact CZ-CD2 3.76Å; F567-Y571 HydrophobicContact CZ-CE2 4.29Å; F567-Y571 WeakPolarHBondContact O-CD2 3.5Å; F567-Y571 PolarHBondContact O-N 2.68Å; F567-F575 AromaticContact CE1-CE2 3.91Å; F567-F575 HydrophobicContact CE1-CE2 3.91Å; F567-F575 HydrophobicContact CE1-CZ 4.43Å; F567-F575 AromaticContact CZ-CE2 3.98Å; F567-F575 HydrophobicContact CZ-CE2 3.98Å; F567-F575 HydrophobicContact CZ-CZ 4.1Å; F567-L690 HydrophobicContact CE2-CD1 4Å; F567-L690 HydrophobicContact CZ-CD1 4.15Å; F567-V742 HydrophobicContact CE2-CG2 4.32Å; F567-L745 HydrophobicContact CE1-CD2 4.27Å; F567-L745 HydrophobicContact CE2-CD2 4.22Å; F567-L745 HydrophobicContact CZ-CD2 3.5Å; F567-L745 VanDerWaalsContact CZ-CD2 3.5Å
568	V	90.7	Very high	89.2	Confident	29 Å²	29	21.6 Å²	21.6	18%	0.176	11%	0.107	C	C	.	.	H	α-helix	trans	-66.6	-40.5	176.8	-179.4	0	0	0	0	110.5	I471 I474 V475 M564 F565 Q566 Y570 S572	I471-V568 HydrophobicContact CG1-CG2 4.41Å; I471-V568 HydrophobicContact CG2-CG1 4.33Å; I471-V568 HydrophobicContact CG2-CG2 4.08Å; I474-V568 HydrophobicContact CB-CG1 4.34Å; I474-V568 HydrophobicContact CG2-CG1 3.87Å; V475-V568 HydrophobicContact CG2-CG1 4.18Å; M564-V568 WeakPolarHBondContact O-CG2 3.39Å; M564-V568 PolarHBondContact O-N 3.34Å; F565-V568 PolarHBondContact O-N 2.88Å; Q566-V568 PolarHBondContact O-N 2.92Å; V568-Y570 PolarHBondContact O-N 3.13Å; V568-S572 WeakPolarHBondContact O-CB 3.17Å; V568-S572 PolarHBondContact O-N 2.77Å; V568-S572 PolarHBondContact O-OG 3.26Å
569	N	85.4	Confident	89.1	Confident	5 Å²	5	23.5 Å²	23.5	3%	0.027	12%	0.115	C	C	.	.	H	α-helix	trans	-64.2	-38.2	-177.7	-149.1	20.1	0	0	0	113.3	I474 N532 F565 Q566	I474-N569 HydrophobicContact CD1-CB 4.02Å; N532-N569 PolarHBondContact OD1-ND2 3.11Å; F565-N569 WeakPolarHBondContact O-CB 3.42Å; F565-N569 PolarHBondContact O-N 3.14Å; Q566-N569 PolarHBondContact O-N 2.9Å
570	Y	85.1	Confident	88.9	Confident	40 Å²	40	28.6 Å²	28.6	16%	0.157	14%	0.136	C	C	.	.	H	α-helix	trans	-83.6	-53.7	178.3	-73.3	-65.6	0	0	0	113.5	I528 Q566 V568 S573 K626 I683	I528-Y570 HydrophobicContact CG2-CE1 4.46Å; Q566-Y570 HydrophobicContact CB-CD2 4.29Å; Q566-Y570 HydrophobicContact CB-CE2 4.34Å; Q566-Y570 VanDerWaalsContact O-CD2 3.25Å; Q566-Y570 WeakPolarHBondContact O-CD2 3.33Å; Q566-Y570 PolarHBondContact O-N 3.37Å; Q566-Y570 VanDerWaalsContact OE1-CE2 3.27Å; V568-Y570 PolarHBondContact O-N 3.13Å; Y570-S573 PolarHBondContact O-OG 3.02Å; Y570-K626 HydrophobicContact CE1-CD 4.17Å; Y570-I683 HydrophobicContact CD2-CD1 3.96Å; Y570-I683 HydrophobicContact CD2-CG1 4.14Å; Y570-I683 HydrophobicContact CD2-CG2 4.02Å; Y570-I683 HydrophobicContact CE2-CG1 4.47Å; Y570-I683 HydrophobicContact CE2-CG2 4.5Å; Y570-I683 HydrophobicContact CG-CG2 4.19Å
571	Y	89.3	Confident	88.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-85.3	-23.5	-165.7	-56.8	-57.8	0	0	0	115.5	F567 S573 C574 F575 I683 G686 F687 L690 F691	F567-Y571 HydrophobicContact CB-CD2 4.37Å; F567-Y571 HydrophobicContact CB-CE2 4.48Å; F567-Y571 HydrophobicContact CD1-CD2 4.1Å; F567-Y571 AromaticContact CD2-CD2 3.41Å; F567-Y571 HydrophobicContact CD2-CD2 3.41Å; F567-Y571 VanDerWaalsContact CD2-CD2 3.41Å; F567-Y571 AromaticContact CD2-CE2 3.32Å; F567-Y571 HydrophobicContact CD2-CE2 3.32Å; F567-Y571 HydrophobicContact CE1-CD2 4.11Å; F567-Y571 AromaticContact CE2-CD2 3.43Å; F567-Y571 HydrophobicContact CE2-CD2 3.43Å; F567-Y571 VanDerWaalsContact CE2-CD2 3.43Å; F567-Y571 AromaticContact CE2-CE2 3.5Å; F567-Y571 HydrophobicContact CE2-CE2 3.5Å; F567-Y571 AromaticContact CG-CD2 3.73Å; F567-Y571 HydrophobicContact CG-CD2 3.73Å; F567-Y571 AromaticContact CG-CE2 4Å; F567-Y571 HydrophobicContact CG-CE2 4Å; F567-Y571 AromaticContact CZ-CD2 3.76Å; F567-Y571 HydrophobicContact CZ-CD2 3.76Å; F567-Y571 HydrophobicContact CZ-CE2 4.29Å; F567-Y571 WeakPolarHBondContact O-CD2 3.5Å; F567-Y571 PolarHBondContact O-N 2.68Å; Y571-S573 PolarHBondContact O-N 3.15Å; Y571-C574 WeakPolarHBondContact O-CA 3.35Å; Y571-C574 WeakPolarHBondContact O-CB 3.43Å; Y571-C574 PolarHBondContact O-N 3.41Å; Y571-F575 VanDerWaalsContact CB-CE2 3.46Å; Y571-F575 HydrophobicContact CG-CE2 4.43Å; Y571-F575 VanDerWaalsContact O-CD2 3.31Å; Y571-F575 WeakPolarHBondContact O-CD2 3.44Å; Y571-F575 PolarHBondContact O-N 3.5Å; Y571-I683 HydrophobicContact CE2-CD1 3.85Å; Y571-I683 VanDerWaalsContact OH-CA 3.27Å; Y571-I683 WeakPolarHBondContact OH-CA 3.15Å; Y571-I683 PolarHBondContact OH-O 2.85Å; Y571-G686 WeakPolarHBondContact OH-CA 3.47Å; Y571-F687 AromaticContact CD1-CD1 3.88Å; Y571-F687 HydrophobicContact CD1-CD1 3.88Å; Y571-F687 AromaticContact CD1-CE1 3.62Å; Y571-F687 HydrophobicContact CD1-CE1 3.62Å; Y571-F687 HydrophobicContact CD1-CG 4.46Å; Y571-F687 AromaticContact CD1-CZ 3.98Å; Y571-F687 HydrophobicContact CD1-CZ 3.98Å; Y571-F687 AromaticContact CE1-CD1 3.68Å; Y571-F687 HydrophobicContact CE1-CD1 3.68Å; Y571-F687 AromaticContact CE1-CD2 3.97Å; Y571-F687 HydrophobicContact CE1-CD2 3.97Å; Y571-F687 AromaticContact CE1-CE1 3.73Å; Y571-F687 HydrophobicContact CE1-CE1 3.73Å; Y571-F687 HydrophobicContact CE1-CE2 4.01Å; Y571-F687 AromaticContact CE1-CG 3.79Å; Y571-F687 HydrophobicContact CE1-CG 3.79Å; Y571-F687 AromaticContact CE1-CZ 3.89Å; Y571-F687 HydrophobicContact CE1-CZ 3.89Å; Y571-L690 HydrophobicContact CD1-CD1 4.13Å; Y571-L690 HydrophobicContact CD2-CD1 4.04Å; Y571-L690 HydrophobicContact CE1-CD1 4.12Å; Y571-L690 HydrophobicContact CE2-CD1 4.06Å; Y571-L690 HydrophobicContact CG-CD1 4.07Å; Y571-F691 AromaticContact CD1-CE2 3.84Å; Y571-F691 HydrophobicContact CD1-CE2 3.84Å; Y571-F691 HydrophobicContact CG-CE2 4.39Å
572	S	87.6	Confident	87.9	Confident	21 Å²	21	25.8 Å²	25.8	15%	0.147	13%	0.128	C	C	.	.	H	α-helix	trans	-50.9	-40.3	-179.9	52.4	0	0	0	0	113.7	I478 V568 C574 F575 Y576	I478-S572 WeakPolarHBondContact CD1-OG 3.48Å; V568-S572 WeakPolarHBondContact O-CB 3.17Å; V568-S572 PolarHBondContact O-N 2.77Å; V568-S572 PolarHBondContact O-OG 3.26Å; S572-C574 VanDerWaalsContact C-N 3.27Å; S572-C574 PolarHBondContact O-N 3.28Å; S572-F575 PolarHBondContact O-N 2.99Å; S572-Y576 PolarHBondContact O-N 3.19Å
573	S	82.7	Confident	87.6	Confident	13 Å²	13	29.4 Å²	29.4	9%	0.091	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-35.5	176.3	68.2	0	0	0	0	112.6	Y570 Y571 Q618	Y570-S573 PolarHBondContact O-OG 3.02Å; Y571-S573 PolarHBondContact O-N 3.15Å; S573-Q618 VanDerWaalsContact CB-NE2 3.33Å; S573-Q618 PolarHBondContact O-NE2 2.77Å; S573-Q618 PolarHBondContact OG-NE2 3.38Å; S573-Q618 VanDerWaalsContact OG-NE2 3.16Å
574	C	86.3	Confident	87.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-82.1	-40.3	178.8	-59.8	0	0	0	0	110.9	Y571 S572 Y576 V577 A578 L615 L619 F691	Y571-C574 WeakPolarHBondContact O-CA 3.35Å; Y571-C574 WeakPolarHBondContact O-CB 3.43Å; Y571-C574 PolarHBondContact O-N 3.41Å; S572-C574 VanDerWaalsContact C-N 3.27Å; S572-C574 PolarHBondContact O-N 3.28Å; C574-Y576 VanDerWaalsContact C-N 3.28Å; C574-Y576 PolarHBondContact O-N 3.14Å; C574-V577 PolarHBondContact O-N 3.43Å; C574-A578 WeakPolarHBondContact O-CB 3.26Å; C574-A578 PolarHBondContact O-N 3.39Å; C574-L615 HydrophobicContact CB-CD1 3.92Å; C574-L619 HydrophobicContact CB-CD2 4.37Å; C574-F691 HydrophobicContact CB-CD1 4.31Å; C574-F691 HydrophobicContact CB-CE1 3.7Å; C574-F691 HydrophobicContact CB-CE2 4.08Å; C574-F691 HydrophobicContact CB-CZ 3.58Å
575	F	90.8	Very high	86.7	Confident	35 Å²	35	31.3 Å²	31.3	15%	0.154	15%	0.151	C	C	.	.	H	α-helix	trans	-58.9	-36.8	172	-71.3	-54.5	0	0	0	112.4	F567 Y571 S572 F579 L690 F691 T749	F567-F575 AromaticContact CE1-CE2 3.91Å; F567-F575 HydrophobicContact CE1-CE2 3.91Å; F567-F575 HydrophobicContact CE1-CZ 4.43Å; F567-F575 AromaticContact CZ-CE2 3.98Å; F567-F575 HydrophobicContact CZ-CE2 3.98Å; F567-F575 HydrophobicContact CZ-CZ 4.1Å; Y571-F575 VanDerWaalsContact CB-CE2 3.46Å; Y571-F575 HydrophobicContact CG-CE2 4.43Å; Y571-F575 VanDerWaalsContact O-CD2 3.31Å; Y571-F575 WeakPolarHBondContact O-CD2 3.44Å; Y571-F575 PolarHBondContact O-N 3.5Å; S572-F575 PolarHBondContact O-N 2.99Å; F575-F579 HydrophobicContact CD1-CD2 4.12Å; F575-F579 AromaticContact CD1-CE2 3.74Å; F575-F579 HydrophobicContact CD1-CE2 3.74Å; F575-F579 HydrophobicContact CE1-CE2 4.25Å; F575-F579 PolarHBondContact O-N 2.68Å; F575-L690 HydrophobicContact CZ-CD1 4.23Å; F575-F691 AromaticContact CD1-CE1 3.93Å; F575-F691 HydrophobicContact CD1-CE1 3.93Å; F575-F691 AromaticContact CD1-CZ 3.79Å; F575-F691 HydrophobicContact CD1-CZ 3.79Å; F575-F691 HydrophobicContact CD2-CZ 4.46Å; F575-F691 HydrophobicContact CE1-CE1 4.13Å; F575-F691 AromaticContact CE1-CZ 3.75Å; F575-F691 HydrophobicContact CE1-CZ 3.75Å; F575-F691 HydrophobicContact CE2-CZ 4.42Å; F575-F691 HydrophobicContact CG-CZ 4.16Å; F575-F691 HydrophobicContact CZ-CZ 4.07Å; F575-T749 HydrophobicContact CD1-CG2 4.44Å; F575-T749 HydrophobicContact CE1-CG2 3.77Å
576	Y	87.4	Confident	86.4	Confident	45 Å²	45	33 Å²	33	18%	0.176	17%	0.169	C	C	.	.	I	π-helix	trans	-59.7	-52.2	173.9	174.6	-103.7	0	0	0	112.1	I482 S572 C574 F580 K581	I482-Y576 HydrophobicContact CD1-CD1 3.76Å; I482-Y576 HydrophobicContact CD1-CD2 3.67Å; I482-Y576 HydrophobicContact CD1-CE1 3.78Å; I482-Y576 HydrophobicContact CD1-CE2 3.69Å; I482-Y576 HydrophobicContact CD1-CG 3.72Å; I482-Y576 HydrophobicContact CG1-CD1 4.2Å; I482-Y576 HydrophobicContact CG1-CE1 3.97Å; I482-Y576 HydrophobicContact CG2-CE1 4.22Å; S572-Y576 PolarHBondContact O-N 3.19Å; C574-Y576 VanDerWaalsContact C-N 3.28Å; C574-Y576 PolarHBondContact O-N 3.14Å; Y576-F580 HydrophobicContact CD2-CB 3.75Å; Y576-F580 HydrophobicContact CE2-CB 3.99Å; Y576-F580 PolarHBondContact O-N 3.49Å; Y576-K581 HydrophobicContact CE1-CB 4.2Å; Y576-K581 PolarHBondContact O-N 3.19Å
577	V	84.1	Confident	86.3	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.018	18%	0.178	C	C	.	.	I	π-helix	trans	-69.4	-33.4	-178.3	176.2	0	0	0	0	112.1	C574 K581 C611 E614 L615 Q618	C574-V577 PolarHBondContact O-N 3.43Å; V577-K581 HydrophobicContact CG2-CD 4.5Å; V577-C611 HydrophobicContact CG1-CB 4.5Å; V577-E614 HydrophobicContact CG1-CB 4.12Å; V577-E614 HydrophobicContact CG1-CG 4.05Å; V577-L615 HydrophobicContact CG1-CB 4.1Å; V577-Q618 VanDerWaalsContact CG2-OE1 3.31Å
578	A	88.4	Confident	86.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-67.4	-50.8	175.5	0	0	0	0	0	112.9	C574 L615 I753 T757	C574-A578 WeakPolarHBondContact O-CB 3.26Å; C574-A578 PolarHBondContact O-N 3.39Å; A578-L615 HydrophobicContact CB-CD1 4.45Å; A578-L615 HydrophobicContact CB-CD2 3.91Å; A578-I753 HydrophobicContact CB-CG1 4.42Å; A578-T757 PolarHBondContact O-OG1 3.47Å
579	F	89.6	Confident	85.7	Confident	46 Å²	46	34.1 Å²	34.1	20%	0.202	18%	0.177	C	C	.	.	I	π-helix	trans	-114.9	-25.2	-161.8	-57.5	-36.5	0	0	0	115.9	F575 K583 T749 F752 I753	F575-F579 HydrophobicContact CD1-CD2 4.12Å; F575-F579 AromaticContact CD1-CE2 3.74Å; F575-F579 HydrophobicContact CD1-CE2 3.74Å; F575-F579 HydrophobicContact CE1-CE2 4.25Å; F575-F579 PolarHBondContact O-N 2.68Å; F579-K583 VanDerWaalsContact O-CG 3.26Å; F579-K583 WeakPolarHBondContact O-CG 3.34Å; F579-T749 HydrophobicContact CE2-CG2 4.09Å; F579-T749 HydrophobicContact CZ-CG2 3.78Å; F579-F752 HydrophobicContact CD1-CB 4.39Å; F579-F752 HydrophobicContact CE1-CB 3.6Å; F579-F752 HydrophobicContact CZ-CB 3.75Å; F579-I753 HydrophobicContact CE1-CG1 3.74Å; F579-I753 HydrophobicContact CZ-CG1 3.92Å
580	F	87.4	Confident	85.7	Confident	116 Å²	116	41 Å²	41	51%	0.509	21%	0.207	S	C	.	.	I	π-helix	trans	-107.3	-38.1	-174.2	-65.5	-89.5	0	0	0	112.6	Y576 K583 F584	Y576-F580 HydrophobicContact CD2-CB 3.75Å; Y576-F580 HydrophobicContact CE2-CB 3.99Å; Y576-F580 PolarHBondContact O-N 3.49Å; F580-K583 PolarHBondContact O-N 3.31Å; F580-F584 HydrophobicContact CD1-CD2 4.47Å; F580-F584 AromaticContact CD1-CE2 3.97Å; F580-F584 HydrophobicContact CD1-CE2 3.97Å
581	K	83.6	Confident	85.6	Confident	12 Å²	12	40.1 Å²	40.1	5%	0.052	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	135.5	178.1	-174.1	169.6	174.8	154.7	0	111.7	Y576 V577 K583 E604 E605 E614	Y576-K581 HydrophobicContact CE1-CB 4.2Å; Y576-K581 PolarHBondContact O-N 3.19Å; V577-K581 HydrophobicContact CG2-CD 4.5Å; K581-K583 PolarHBondContact O-N 2.98Å; K581-E604 HydrophobicContact CD-CB 4.28Å; K581-E604 WeakPolarHBondContact CD-OE2 3.1Å; K581-E604 VanDerWaalsContact CE-OE2 3.25Å; K581-E604 WeakPolarHBondContact CE-OE2 3.44Å; K581-E604 HydrophobicContact CG-CB 4.04Å; K581-E604 IonicContact NZ-OE2 3.7Å; K581-E604 PolarHBondContact NZ-OE2 3.35Å; K581-E605 WeakPolarHBondContact CE-O 3.41Å; K581-E614 WeakPolarHBondContact CE-OE2 3.23Å; K581-E614 IonicContact NZ-OE1 2.93Å; K581-E614 PolarHBondContact NZ-OE1 2.98Å; K581-E614 IonicContact NZ-OE2 2.74Å; K581-E614 PolarHBondContact NZ-OE2 3.01Å
582	G	79.6	Confident	85.3	Confident	26 Å²	26	42.7 Å²	42.7	27%	0.268	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	-0.9	179	0	0	0	0	0	116.4	E604	G582-E604 WeakPolarHBondContact CA-O 3.21Å; G582-E604 PolarHBondContact N-O 3.46Å
583	K	84.1	Confident	85	Confident	80 Å²	80	44.3 Å²	44.3	35%	0.348	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-38.3	-178.5	-48.9	-49.1	171.1	-172	0	113.1	F579 F580 K581 F756	F579-K583 VanDerWaalsContact O-CG 3.26Å; F579-K583 WeakPolarHBondContact O-CG 3.34Å; F580-K583 PolarHBondContact O-N 3.31Å; K581-K583 PolarHBondContact O-N 2.98Å; K583-F756 PolarHBondContact NZ-O 3.24Å
584	F	84.3	Confident	84.4	Confident	129 Å²	129	45 Å²	45	57%	0.566	23%	0.227	S	C	*	.	S	Bend	trans	-104.6	43.1	-173.6	-58.5	-75.3	0	0	0	112.8	F580 S592 N603	F580-F584 HydrophobicContact CD1-CD2 4.47Å; F580-F584 AromaticContact CD1-CE2 3.97Å; F580-F584 HydrophobicContact CD1-CE2 3.97Å; F584-S592 VanDerWaalsContact O-CB 3.27Å; F584-S592 WeakPolarHBondContact O-CB 3.26Å; F584-N603 PolarHBondContact O-ND2 3.28Å
585	V	82.3	Confident	83.6	Confident	16 Å²	16	51.9 Å²	51.9	10%	0.097	26%	0.257	C	S	.	.			trans	-89.6	-38.2	-172.8	175.9	0	0	0	0	112.9	Y591 S592 E605	V585-Y591 HydrophobicContact CG1-CD1 4.07Å; V585-Y591 HydrophobicContact CG1-CE1 4.4Å; V585-Y591 CarbonylContact O-C 3.57Å; V585-Y591 WeakPolarHBondContact O-CA 3.24Å; V585-S592 PolarHBondContact O-N 2.98Å; V585-E605 HydrophobicContact CB-CG 4.28Å; V585-E605 HydrophobicContact CG1-CG 3.6Å; V585-E605 VanDerWaalsContact CG1-OE1 3.23Å; V585-E605 WeakPolarHBondContact CG1-OE1 3.49Å; V585-E605 HydrophobicContact CG2-CG 3.72Å
586	G	85.6	Confident	82.6	Confident	36 Å²	36	51.8 Å²	51.8	37%	0.371	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.4	-141.2	-171	0	0	0	0	0	112.1
587	Y	87.6	Confident	81.4	Confident	63 Å²	63	57.6 Å²	57.6	25%	0.247	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	165.6	177.4	68.8	-81.8	0	0	0	110.2	G589 K590 Y591 Y787 Y824	Y587-G589 PolarHBondContact O-N 3.46Å; Y587-K590 HydrophobicContact CD1-CB 4.47Å; Y587-K590 HydrophobicContact CE1-CB 3.81Å; Y587-K590 PolarHBondContact N-O 3.26Å; Y587-K590 CarbonylContact O-C 3.53Å; Y587-K590 PolarHBondContact O-N 3.08Å; Y587-Y591 PolarHBondContact O-N 3.45Å; Y587-Y787 HydrophobicContact CD2-CE2 4.02Å; Y587-Y787 HydrophobicContact CE2-CE2 4.34Å; Y587-Y824 HydrophobicContact CE2-CD2 4.47Å; Y587-Y824 HydrophobicContact CE2-CG 4.33Å
588	P	85.9	Confident	80.2	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.019	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24	-167.6	-29.6	36.8	0	0	0	117.5	C354 Y787 Y811	C354-P588 HydrophobicContact CB-CG 4.45Å; P588-Y787 HydrophobicContact CB-CD1 3.75Å; P588-Y787 HydrophobicContact CB-CD2 4.1Å; P588-Y787 HydrophobicContact CB-CE1 3.89Å; P588-Y787 HydrophobicContact CB-CE2 4.26Å; P588-Y787 HydrophobicContact CB-CG 3.88Å; P588-Y787 HydrophobicContact CG-CD1 4.35Å; P588-Y787 HydrophobicContact CG-CD2 4.2Å; P588-Y787 HydrophobicContact CG-CG 4.02Å; P588-Y811 HydrophobicContact CG-CD1 4.16Å; P588-Y811 HydrophobicContact CG-CD2 4.36Å; P588-Y811 HydrophobicContact CG-CG 4.1Å
589	G	82.1	Confident	78.9	Confident	27 Å²	27	69.3 Å²	69.3	28%	0.278	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-15.3	174	0	0	0	0	0	114.9	Y587 Y787	Y587-G589 PolarHBondContact O-N 3.46Å; G589-Y787 VanDerWaalsContact CA-OH 3.22Å; G589-Y787 WeakPolarHBondContact CA-OH 3.37Å; G589-Y787 PolarHBondContact N-OH 2.94Å
590	K	85.5	Confident	78	Confident	151 Å²	151	75.5 Å²	75.5	66%	0.657	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-157.3	87.4	178.2	-169.9	174.6	-179.4	176.7	0	110.4	Y587	Y587-K590 HydrophobicContact CD1-CB 4.47Å; Y587-K590 HydrophobicContact CE1-CB 3.81Å; Y587-K590 PolarHBondContact N-O 3.26Å; Y587-K590 CarbonylContact O-C 3.53Å; Y587-K590 PolarHBondContact O-N 3.08Å
591	Y	84.6	Confident	77.1	Confident	21 Å²	21	72.3 Å²	72.3	8%	0.082	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	158.1	169.7	-64.9	-58.1	0	0	0	111.7	V585 Y587 R602 N796	V585-Y591 HydrophobicContact CG1-CD1 4.07Å; V585-Y591 HydrophobicContact CG1-CE1 4.4Å; V585-Y591 CarbonylContact O-C 3.57Å; V585-Y591 WeakPolarHBondContact O-CA 3.24Å; Y587-Y591 PolarHBondContact O-N 3.45Å; Y591-R602 VanDerWaalsContact CE2-CZ 3.48Å; Y591-R602 VanDerWaalsContact CE2-NH1 3.27Å; Y591-R602 HydrophobicContact CG-CG 4.37Å; Y591-R602 PolarHBondContact OH-NH2 2.94Å; Y591-N796 HydrophobicContact CD2-CB 4.42Å; Y591-N796 WeakPolarHBondContact CD2-ND2 3.42Å; Y591-N796 HydrophobicContact CE2-CB 4.21Å
592	S	83.1	Confident	76.9	Confident	54 Å²	54	72.6 Å²	72.6	38%	0.378	37%	0.371	S	S	.	.			trans	-95.5	132	169.9	-162.3	0	0	0	0	110.3	F584 V585 N603	F584-S592 VanDerWaalsContact O-CB 3.27Å; F584-S592 WeakPolarHBondContact O-CB 3.26Å; V585-S592 PolarHBondContact O-N 2.98Å; S592-N603 PolarHBondContact O-N 3.46Å
593	Y	80.4	Confident	76.9	Confident	55 Å²	55	72.9 Å²	72.9	22%	0.216	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-107	139	179.6	-66	-85.5	0	0	0	109.8	D358 F595 G596 L601 R602 N796	D358-Y593 WeakPolarHBondContact OD2-CE1 3.3Å; D358-Y593 PolarHBondContact OD2-OH 3.24Å; D358-Y593 VanDerWaalsContact OD2-OH 3.06Å; Y593-F595 PolarHBondContact O-N 2.93Å; Y593-G596 PolarHBondContact O-N 2.76Å; Y593-L601 WeakPolarHBondContact CA-O 3.3Å; Y593-R602 HydrophobicContact CD1-CB 4.27Å; Y593-R602 HydrophobicContact CE1-CB 3.98Å; Y593-N796 PolarHBondContact OH-ND2 2.95Å; Y593-N796 PolarHBondContact OH-OD1 3.29Å
594	M	70.2	Confident	76.4	Confident	28 Å²	28	69.9 Å²	69.9	14%	0.138	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	132.3	178.3	-166.6	179	-72.4	0	0	109.8	I479 I482 L486 G596 T599 L601 N603	I479-M594 HydrophobicContact CG2-SD 4.14Å; I482-M594 HydrophobicContact CG2-CE 3.94Å; L486-M594 HydrophobicContact CD1-CE 4Å; M594-G596 PolarHBondContact O-N 3.15Å; M594-T599 PolarHBondContact O-OG1 3.38Å; M594-L601 PolarHBondContact N-O 3.39Å; M594-N603 PolarHBondContact N-OD1 3.39Å
595	F	68.8	Low	76.1	Confident	144 Å²	144	66 Å²	66	63%	0.632	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	21.6	-169.8	-52.9	-76	0	0	0	115.2	I479 Y593	I479-F595 HydrophobicContact CG2-CE2 4.04Å; I479-F595 HydrophobicContact CG2-CZ 3.86Å; Y593-F595 PolarHBondContact O-N 2.93Å
596	G	70.1	Confident	75.8	Confident	32 Å²	32	66.7 Å²	66.7	33%	0.33	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	66.1	-141.2	178.7	0	0	0	0	0	112.6	Y593 M594 F598 T599	Y593-G596 PolarHBondContact O-N 2.76Å; M594-G596 PolarHBondContact O-N 3.15Å; G596-F598 PolarHBondContact O-N 3.42Å; G596-F598 VanDerWaalsContact O-N 3.09Å; G596-T599 PolarHBondContact O-N 3.01Å
597	N	62.2	Low	75	Confident	168 Å²	168	67.3 Å²	67.3	90%	0.898	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-68.3	-10.7	-170.5	-64.1	6.3	0	0	0	114.6
598	F	59.3	Low	73.8	Confident	198 Å²	198	65.3 Å²	65.3	87%	0.868	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-73.7	-24.3	-178.5	-71.5	-78.2	0	0	0	113.6	G596	G596-F598 PolarHBondContact O-N 3.42Å; G596-F598 VanDerWaalsContact O-N 3.09Å
599	T	61.6	Low	72.7	Confident	50 Å²	50	65.7 Å²	65.7	31%	0.307	34%	0.336	S	S	.	.			trans	-135.5	121.7	-177.7	19.1	0	0	0	0	111.3	M594 G596 L601	M594-T599 PolarHBondContact O-OG1 3.38Å; G596-T599 PolarHBondContact O-N 3.01Å; T599-L601 HydrophobicContact CG2-CD1 4.03Å; T599-L601 PolarHBondContact O-N 2.98Å
600	K	69	Low	72.3	Confident	177 Å²	177	65.2 Å²	65.2	77%	0.77	33%	0.331	S	S	*	.			trans	-73.9	37.8	177.3	-62.5	-165.2	175	-162.9	0	113.6
601	L	69.3	Low	72	Confident	48 Å²	48	58.1 Å²	58.1	25%	0.251	30%	0.3	S	S	.	.			trans	-104.6	104.4	177.7	-75.8	84.4	0	0	0	109.3	A483 L486 Y593 M594 T599	A483-L601 HydrophobicContact CB-CD2 4.27Å; L486-L601 HydrophobicContact CB-CD2 3.97Å; L486-L601 HydrophobicContact CD1-CB 4.49Å; L486-L601 HydrophobicContact CD1-CD2 4.32Å; Y593-L601 WeakPolarHBondContact CA-O 3.3Å; M594-L601 PolarHBondContact N-O 3.39Å; T599-L601 HydrophobicContact CG2-CD1 4.03Å; T599-L601 PolarHBondContact O-N 2.98Å
602	R	78.9	Confident	72	Confident	18 Å²	18	57.2 Å²	57.2	7%	0.068	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-63.1	140.1	171.3	170.5	171.5	160.2	-167.5	-5.2	109.9	P355 L356 C357 D358 L486 Y591 Y593 E605	P355-R602 PolarHBondContact O-NH1 3.36Å; P355-R602 PolarHBondContact O-NH2 2.92Å; L356-R602 VanDerWaalsContact C-NH2 3.26Å; L356-R602 PolarHBondContact O-NH2 3.37Å; C357-R602 VanDerWaalsContact C-NH1 3.29Å; D358-R602 WeakPolarHBondContact OD1-CD 3.4Å; D358-R602 IonicContact OD1-CZ 2.83Å; D358-R602 IonicContact OD1-NE 3.63Å; D358-R602 IonicContact OD1-NH1 2.63Å; D358-R602 PolarHBondContact OD1-NH1 3.45Å; L486-R602 WeakPolarHBondContact CD2-O 3.04Å; Y591-R602 VanDerWaalsContact CE2-CZ 3.48Å; Y591-R602 VanDerWaalsContact CE2-NH1 3.27Å; Y591-R602 HydrophobicContact CG-CG 4.37Å; Y591-R602 PolarHBondContact OH-NH2 2.94Å; Y593-R602 HydrophobicContact CD1-CB 4.27Å; Y593-R602 HydrophobicContact CE1-CB 3.98Å; R602-E605 IonicContact CZ-OE1 2.77Å; R602-E605 VanDerWaalsContact CZ-OE1 3.3Å; R602-E605 IonicContact NE-OE1 3.72Å; R602-E605 PolarHBondContact NE-OE1 3.01Å; R602-E605 VanDerWaalsContact NE-OE1 3.1Å; R602-E605 IonicContact NH2-OE1 3.85Å; R602-E605 PolarHBondContact NH2-OE1 3.42Å; R602-E605 IonicContact NH2-OE2 3.88Å; R602-E605 PolarHBondContact NH2-OE2 2.82Å
603	N	79.1	Confident	71.9	Confident	32 Å²	32	55.5 Å²	55.5	17%	0.171	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-64.7	146.6	-179.7	-70.5	-23.6	0	0	0	112.2	F584 S592 M594 E605	F584-N603 PolarHBondContact O-ND2 3.28Å; S592-N603 PolarHBondContact O-N 3.46Å; M594-N603 PolarHBondContact N-OD1 3.39Å; N603-E605 PolarHBondContact O-N 3.48Å
604	E	74.9	Confident	71.8	Confident	18 Å²	18	54.5 Å²	54.5	8%	0.084	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-63.3	130	-179.6	-72.3	-164.2	175.9	0	0	112.9	R485 L486 K581 G582	R485-E604 VanDerWaalsContact CD-OE1 3.24Å; R485-E604 WeakPolarHBondContact CD-OE1 3.43Å; R485-E604 IonicContact CZ-OE1 2.91Å; R485-E604 IonicContact CZ-OE2 2.68Å; R485-E604 IonicContact NE-OE1 3.1Å; R485-E604 IonicContact NH1-OE1 3.4Å; R485-E604 IonicContact NH1-OE2 3.22Å; R485-E604 PolarHBondContact NH1-OE2 3.13Å; L486-E604 HydrophobicContact CD1-CG 4.37Å; L486-E604 HydrophobicContact CD2-CG 3.57Å; L486-E604 HydrophobicContact CG-CG 3.92Å; K581-E604 HydrophobicContact CD-CB 4.28Å; K581-E604 WeakPolarHBondContact CD-OE2 3.1Å; K581-E604 VanDerWaalsContact CE-OE2 3.25Å; K581-E604 WeakPolarHBondContact CE-OE2 3.44Å; K581-E604 HydrophobicContact CG-CB 4.04Å; K581-E604 IonicContact NZ-OE2 3.7Å; K581-E604 PolarHBondContact NZ-OE2 3.35Å; G582-E604 WeakPolarHBondContact CA-O 3.21Å; G582-E604 PolarHBondContact N-O 3.46Å
605	E	77.9	Confident	72.4	Confident	48 Å²	48	53.1 Å²	53.1	22%	0.224	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-85	155	167.8	-79	159.5	-143.6	0	0	111.5	L356 K581 V585 R602 N603	L356-E605 VanDerWaalsContact CD2-OE2 3.31Å; L356-E605 WeakPolarHBondContact CD2-OE2 3.46Å; K581-E605 WeakPolarHBondContact CE-O 3.41Å; V585-E605 HydrophobicContact CB-CG 4.28Å; V585-E605 HydrophobicContact CG1-CG 3.6Å; V585-E605 VanDerWaalsContact CG1-OE1 3.23Å; V585-E605 WeakPolarHBondContact CG1-OE1 3.49Å; V585-E605 HydrophobicContact CG2-CG 3.72Å; R602-E605 IonicContact CZ-OE1 2.77Å; R602-E605 VanDerWaalsContact CZ-OE1 3.3Å; R602-E605 IonicContact NE-OE1 3.72Å; R602-E605 PolarHBondContact NE-OE1 3.01Å; R602-E605 VanDerWaalsContact NE-OE1 3.1Å; R602-E605 IonicContact NH2-OE1 3.85Å; R602-E605 PolarHBondContact NH2-OE1 3.42Å; R602-E605 IonicContact NH2-OE2 3.88Å; R602-E605 PolarHBondContact NH2-OE2 2.82Å; N603-E605 PolarHBondContact O-N 3.48Å
606	C	76.5	Confident	73.2	Confident	30 Å²	30	46.6 Å²	46.6	20%	0.203	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-74.6	157.6	169.1	-68	0	0	0	0	110.9	C611	C606-C611 WeakPolarHBondContact CA-SG 3.14Å; C606-C611 HydrophobicContact CB-CB 4.06Å; C606-C611 WeakPolarHBondContact CB-SG 3.37Å; C606-C611 WeakPolarHBondContact SG-CB 3.46Å; C606-C611 CovalentContact SG-SG 2.04Å; C606-C611 PolarHBondContact SG-SG 3.35Å
607	D	67.6	Low	73.7	Confident	49 Å²	49	47.9 Å²	47.9	26%	0.262	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-56.9	146.1	159.8	-169.9	-94.9	0	0	0	110.1	S372 G609 G610	S372-D607 PolarHBondContact OG-OD1 2.9Å; D607-G609 PolarHBondContact O-N 3.15Å; D607-G609 PolarHBondContact OD1-N 2.92Å; D607-G610 WeakPolarHBondContact O-CA 3.28Å; D607-G610 PolarHBondContact O-N 3.43Å
608	P	63.5	Low	74.5	Confident	21 Å²	21	41.8 Å²	41.8	14%	0.136	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.3	176.7	-27.6	35.3	0	0	0	114.6	W364 L366 T369 G610 R812	W364-P608 HydrophobicContact CH2-CB 3.8Å; W364-P608 HydrophobicContact CH2-CG 3.08Å; W364-P608 HydrophobicContact CZ2-CG 3.72Å; W364-P608 HydrophobicContact CZ3-CB 4.3Å; W364-P608 HydrophobicContact CZ3-CG 3.65Å; L366-P608 HydrophobicContact CD1-CB 4.41Å; T369-P608 HydrophobicContact CG2-CB 3.89Å; T369-P608 HydrophobicContact CG2-CG 3.74Å; P608-G610 PolarHBondContact O-N 3.17Å; P608-R812 PolarHBondContact O-NH1 3.44Å
609	G	62.4	Low	75.6	Confident	11 Å²	11	32.9 Å²	32.9	11%	0.113	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-6.4	171	0	0	0	0	0	114.7	S376 D607	S376-G609 WeakPolarHBondContact CB-O 3.41Å; S376-G609 PolarHBondContact OG-O 2.87Å; D607-G609 PolarHBondContact O-N 3.15Å; D607-G609 PolarHBondContact OD1-N 2.92Å
610	G	72.8	Confident	76.6	Confident	16 Å²	16	32.8 Å²	32.8	17%	0.165	18%	0.175	C	C	.	.			trans	104.5	153.8	179.9	0	0	0	0	0	113.2	D607 P608 L612	D607-G610 WeakPolarHBondContact O-CA 3.28Å; D607-G610 PolarHBondContact O-N 3.43Å; P608-G610 PolarHBondContact O-N 3.17Å; G610-L612 PolarHBondContact O-N 3.37Å
611	C	80.7	Confident	77.1	Confident	2 Å²	2	29 Å²	29	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-67.4	-9.2	173.4	-82	0	0	0	0	113.4	V577 C606 I613 E614 L615 T757	V577-C611 HydrophobicContact CG1-CB 4.5Å; C606-C611 WeakPolarHBondContact CA-SG 3.14Å; C606-C611 HydrophobicContact CB-CB 4.06Å; C606-C611 WeakPolarHBondContact CB-SG 3.37Å; C606-C611 WeakPolarHBondContact SG-CB 3.46Å; C606-C611 CovalentContact SG-SG 2.04Å; C606-C611 PolarHBondContact SG-SG 3.35Å; C611-I613 PolarHBondContact O-N 3.05Å; C611-E614 PolarHBondContact O-N 3.11Å; C611-L615 PolarHBondContact O-N 2.97Å; C611-T757 HydrophobicContact CB-CG2 4.39Å
612	L	82.6	Confident	77.4	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-61.7	-41.4	-176.2	-160.5	74.9	0	0	0	112.1	D380 G610 L615 T616 I753 T757	D380-L612 HydrophobicContact CB-CD2 3.84Å; G610-L612 PolarHBondContact O-N 3.37Å; L612-L615 WeakPolarHBondContact O-CB 3.38Å; L612-L615 PolarHBondContact O-N 2.99Å; L612-T616 WeakPolarHBondContact O-CB 3.45Å; L612-T616 PolarHBondContact O-N 3.05Å; L612-T616 PolarHBondContact O-OG1 3.48Å; L612-I753 HydrophobicContact CD1-CG2 4.04Å; L612-T757 HydrophobicContact CB-CG2 4.43Å; L612-T757 HydrophobicContact CD1-CG2 3.86Å
613	I	81.3	Confident	77.5	Confident	18 Å²	18	28.6 Å²	28.6	9%	0.092	16%	0.162	C	C	.	.	H	α-helix	trans	-69.1	-36.3	178.6	-52.8	171.2	0	0	0	111.7	S372 Q375 C611 L615 T616 T617	S372-I613 WeakPolarHBondContact O-CD1 3.3Å; Q375-I613 HydrophobicContact CB-CD1 4.21Å; Q375-I613 HydrophobicContact CG-CD1 4.37Å; Q375-I613 HydrophobicContact CG-CG2 4.39Å; C611-I613 PolarHBondContact O-N 3.05Å; I613-L615 VanDerWaalsContact C-N 3.34Å; I613-T616 PolarHBondContact O-N 3.11Å; I613-T617 HydrophobicContact CG2-CG2 4.32Å; I613-T617 WeakPolarHBondContact O-CB 3.44Å; I613-T617 WeakPolarHBondContact O-CG2 3.33Å; I613-T617 PolarHBondContact O-N 2.85Å; I613-T617 PolarHBondContact O-OG1 3.35Å
614	E	78.6	Confident	77.5	Confident	33 Å²	33	28.9 Å²	28.9	15%	0.154	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-42.2	174.9	-170.7	176.8	176.4	0	0	110.4	R485 V577 K581 C611 T617 Q618	R485-E614 IonicContact CZ-OE1 3.9Å; R485-E614 IonicContact NH1-OE1 3.52Å; R485-E614 PolarHBondContact NH1-OE1 3.33Å; R485-E614 IonicContact NH2-OE1 3.83Å; R485-E614 PolarHBondContact NH2-OE1 3.36Å; V577-E614 HydrophobicContact CG1-CB 4.12Å; V577-E614 HydrophobicContact CG1-CG 4.05Å; K581-E614 WeakPolarHBondContact CE-OE2 3.23Å; K581-E614 IonicContact NZ-OE1 2.93Å; K581-E614 PolarHBondContact NZ-OE1 2.98Å; K581-E614 IonicContact NZ-OE2 2.74Å; K581-E614 PolarHBondContact NZ-OE2 3.01Å; C611-E614 PolarHBondContact O-N 3.11Å; E614-T617 PolarHBondContact O-OG1 3.28Å; E614-Q618 WeakPolarHBondContact O-CB 3.43Å; E614-Q618 PolarHBondContact O-N 3.01Å
615	L	84	Confident	77.6	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-48.4	172.3	179.9	63.2	0	0	0	111.4	C574 V577 A578 C611 L612 I613 T617 Q618 L619 F691 T757	C574-L615 HydrophobicContact CB-CD1 3.92Å; V577-L615 HydrophobicContact CG1-CB 4.1Å; A578-L615 HydrophobicContact CB-CD1 4.45Å; A578-L615 HydrophobicContact CB-CD2 3.91Å; C611-L615 PolarHBondContact O-N 2.97Å; L612-L615 WeakPolarHBondContact O-CB 3.38Å; L612-L615 PolarHBondContact O-N 2.99Å; I613-L615 VanDerWaalsContact C-N 3.34Å; L615-T617 PolarHBondContact O-N 3.1Å; L615-Q618 PolarHBondContact O-N 3.46Å; L615-L619 HydrophobicContact CD1-CD1 3.94Å; L615-L619 HydrophobicContact CD1-CG 4.22Å; L615-L619 HydrophobicContact CG-CD1 3.79Å; L615-L619 HydrophobicContact CG-CG 4.48Å; L615-L619 WeakPolarHBondContact O-CB 3.49Å; L615-L619 WeakPolarHBondContact O-CD1 3.43Å; L615-L619 WeakPolarHBondContact O-CG 3.3Å; L615-L619 PolarHBondContact O-N 3.12Å; L615-F691 HydrophobicContact CD1-CD1 4.19Å; L615-F691 HydrophobicContact CD2-CD1 4.44Å; L615-T757 HydrophobicContact CD2-CG2 4.47Å
616	T	85.3	Confident	77.5	Confident	7 Å²	7	29.1 Å²	29.1	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-45.2	178.4	-57.6	0	0	0	0	112.5	F379 L612 I613 L619 V620 S694 F695	F379-T616 HydrophobicContact CE2-CG2 4.48Å; L612-T616 WeakPolarHBondContact O-CB 3.45Å; L612-T616 PolarHBondContact O-N 3.05Å; L612-T616 PolarHBondContact O-OG1 3.48Å; I613-T616 PolarHBondContact O-N 3.11Å; T616-L619 PolarHBondContact O-N 3.03Å; T616-V620 WeakPolarHBondContact O-CG2 3.17Å; T616-V620 PolarHBondContact O-N 3.41Å; T616-S694 PolarHBondContact OG1-O 3.3Å; T616-F695 HydrophobicContact CG2-CB 4.03Å; T616-F695 HydrophobicContact CG2-CD2 3.57Å; T616-F695 HydrophobicContact CG2-CE2 4.32Å; T616-F695 HydrophobicContact CG2-CG 3.97Å
617	T	79.7	Confident	77.7	Confident	59 Å²	59	28.3 Å²	28.3	36%	0.362	17%	0.174	S	C	.	.	H	α-helix	trans	-69.9	-39.4	179.1	50	0	0	0	0	111.6	I613 E614 L615 V620 I621	I613-T617 HydrophobicContact CG2-CG2 4.32Å; I613-T617 WeakPolarHBondContact O-CB 3.44Å; I613-T617 WeakPolarHBondContact O-CG2 3.33Å; I613-T617 PolarHBondContact O-N 2.85Å; I613-T617 PolarHBondContact O-OG1 3.35Å; E614-T617 PolarHBondContact O-OG1 3.28Å; L615-T617 PolarHBondContact O-N 3.1Å; T617-V620 PolarHBondContact O-N 3.04Å; T617-I621 WeakPolarHBondContact O-CB 3.13Å; T617-I621 WeakPolarHBondContact O-CD1 3.33Å; T617-I621 WeakPolarHBondContact O-CG1 3.44Å; T617-I621 PolarHBondContact O-N 2.88Å
618	Q	79.1	Confident	78.4	Confident	39 Å²	39	30.3 Å²	30.3	18%	0.182	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-43.9	171.7	-179.4	176.1	-19	0	0	111.9	S573 V577 E614 L615 I621 V622	S573-Q618 VanDerWaalsContact CB-NE2 3.33Å; S573-Q618 PolarHBondContact O-NE2 2.77Å; S573-Q618 PolarHBondContact OG-NE2 3.38Å; S573-Q618 VanDerWaalsContact OG-NE2 3.16Å; V577-Q618 VanDerWaalsContact CG2-OE1 3.31Å; E614-Q618 WeakPolarHBondContact O-CB 3.43Å; E614-Q618 PolarHBondContact O-N 3.01Å; L615-Q618 PolarHBondContact O-N 3.46Å; Q618-I621 PolarHBondContact O-N 3.41Å; Q618-V622 HydrophobicContact CG-CG2 4.32Å; Q618-V622 WeakPolarHBondContact O-CB 3.21Å; Q618-V622 VanDerWaalsContact O-CG2 3.26Å; Q618-V622 WeakPolarHBondContact O-CG2 3.45Å; Q618-V622 PolarHBondContact O-N 2.87Å
619	L	83.1	Confident	79.2	Confident	11 Å²	11	36 Å²	36	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-44.7	176.5	-74.1	164.2	0	0	0	111.9	C574 L615 T616 V622 M623 F687 F691 S694	C574-L619 HydrophobicContact CB-CD2 4.37Å; L615-L619 HydrophobicContact CD1-CD1 3.94Å; L615-L619 HydrophobicContact CD1-CG 4.22Å; L615-L619 HydrophobicContact CG-CD1 3.79Å; L615-L619 HydrophobicContact CG-CG 4.48Å; L615-L619 WeakPolarHBondContact O-CB 3.49Å; L615-L619 WeakPolarHBondContact O-CD1 3.43Å; L615-L619 WeakPolarHBondContact O-CG 3.3Å; L615-L619 PolarHBondContact O-N 3.12Å; T616-L619 PolarHBondContact O-N 3.03Å; L619-V622 PolarHBondContact O-N 3.28Å; L619-M623 WeakPolarHBondContact O-CB 3.21Å; L619-M623 PolarHBondContact O-N 3.47Å; L619-F687 HydrophobicContact CD2-CD1 3.64Å; L619-F687 HydrophobicContact CD2-CE1 4.08Å; L619-F691 HydrophobicContact CD1-CB 3.52Å; L619-F691 HydrophobicContact CD1-CG 4.09Å; L619-F691 HydrophobicContact CD2-CB 4.04Å; L619-F691 HydrophobicContact CD2-CD2 3.91Å; L619-F691 HydrophobicContact CD2-CG 3.97Å; L619-F691 HydrophobicContact CG-CB 4.45Å; L619-S694 VanDerWaalsContact CD1-OG 3.28Å; L619-S694 WeakPolarHBondContact CD1-OG 3.34Å
620	V	83.1	Confident	80	Confident	49 Å²	49	36 Å²	36	30%	0.297	21%	0.206	S	C	.	.	H	α-helix	trans	-62.5	-44.3	176.1	170.2	0	0	0	0	111.2	T616 T617 A624 F695	T616-V620 WeakPolarHBondContact O-CG2 3.17Å; T616-V620 PolarHBondContact O-N 3.41Å; T617-V620 PolarHBondContact O-N 3.04Å; V620-A624 VanDerWaalsContact O-CB 3.24Å; V620-A624 WeakPolarHBondContact O-CB 3.28Å; V620-A624 PolarHBondContact O-N 3.35Å; V620-F695 HydrophobicContact CG2-CD1 4Å; V620-F695 HydrophobicContact CG2-CD2 4.49Å; V620-F695 HydrophobicContact CG2-CE1 3.58Å; V620-F695 HydrophobicContact CG2-CE2 4.1Å; V620-F695 HydrophobicContact CG2-CG 4.45Å; V620-F695 HydrophobicContact CG2-CZ 3.63Å
621	I	77.8	Confident	80.6	Confident	97 Å²	97	36.2 Å²	36.2	50%	0.497	20%	0.204	S	C	.	.	H	α-helix	trans	-65	-45	178.4	-70	165.7	0	0	0	111.3	T617 Q618 G625	T617-I621 WeakPolarHBondContact O-CB 3.13Å; T617-I621 WeakPolarHBondContact O-CD1 3.33Å; T617-I621 WeakPolarHBondContact O-CG1 3.44Å; T617-I621 PolarHBondContact O-N 2.88Å; Q618-I621 PolarHBondContact O-N 3.41Å; I621-G625 WeakPolarHBondContact O-CA 3.32Å; I621-G625 PolarHBondContact O-N 3.43Å
622	V	76.5	Confident	80.9	Confident	41 Å²	41	40.2 Å²	40.2	25%	0.248	22%	0.224	C	C	.	.	H	α-helix	trans	-71.3	-46.4	-179.6	172.4	0	0	0	0	111	Q618 L619 K626 F687	Q618-V622 HydrophobicContact CG-CG2 4.32Å; Q618-V622 WeakPolarHBondContact O-CB 3.21Å; Q618-V622 VanDerWaalsContact O-CG2 3.26Å; Q618-V622 WeakPolarHBondContact O-CG2 3.45Å; Q618-V622 PolarHBondContact O-N 2.87Å; L619-V622 PolarHBondContact O-N 3.28Å; V622-K626 WeakPolarHBondContact O-CB 3.27Å; V622-K626 PolarHBondContact O-N 3.48Å; V622-F687 HydrophobicContact CG1-CE1 4.11Å; V622-F687 HydrophobicContact CG1-CE2 4.16Å; V622-F687 HydrophobicContact CG1-CZ 3.52Å
623	M	80.1	Confident	80.9	Confident	17 Å²	17	43.5 Å²	43.5	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-66.7	-60.5	-179.1	-174.5	-177.7	-179.9	0	0	111.2	L619 G625 Q627 Q684 I688 L701 A702	L619-M623 WeakPolarHBondContact O-CB 3.21Å; L619-M623 PolarHBondContact O-N 3.47Å; M623-G625 PolarHBondContact O-N 2.85Å; M623-Q627 WeakPolarHBondContact O-CB 3.41Å; M623-Q627 PolarHBondContact O-N 2.79Å; M623-Q684 HydrophobicContact CE-CG 4.14Å; M623-I688 HydrophobicContact CE-CD1 4.19Å; M623-I688 HydrophobicContact CE-CG1 3.8Å; M623-L701 HydrophobicContact CE-CB 4.35Å; M623-A702 HydrophobicContact CE-CB 3.81Å
624	A	79.3	Confident	81	Confident	38 Å²	38	45.2 Å²	45.2	31%	0.314	25%	0.247	S	C	.	.	H	α-helix	trans	-69.7	-35.5	-177.7	0	0	0	0	0	112.1	V620 Q627 V628	V620-A624 VanDerWaalsContact O-CB 3.24Å; V620-A624 WeakPolarHBondContact O-CB 3.28Å; V620-A624 PolarHBondContact O-N 3.35Å; A624-Q627 PolarHBondContact O-N 2.86Å; A624-V628 WeakPolarHBondContact O-CB 3.37Å; A624-V628 VanDerWaalsContact O-CG2 3.29Å; A624-V628 WeakPolarHBondContact O-CG2 3.35Å; A624-V628 PolarHBondContact O-N 3.25Å
625	G	77.9	Confident	81.3	Confident	41 Å²	41	45 Å²	45	42%	0.423	25%	0.251	S	S	.	.	H	α-helix	trans	-69.7	-45.4	178.3	0	0	0	0	0	113.1	I621 M623 Q627 W629	I621-G625 WeakPolarHBondContact O-CA 3.32Å; I621-G625 PolarHBondContact O-N 3.43Å; M623-G625 PolarHBondContact O-N 2.85Å; G625-Q627 VanDerWaalsContact C-N 3.32Å; G625-Q627 PolarHBondContact O-N 3.38Å; G625-W629 VanDerWaalsContact O-CB 3.26Å; G625-W629 WeakPolarHBondContact O-CB 3.24Å; G625-W629 PolarHBondContact O-N 3.36Å; G625-W629 VanDerWaalsContact O-N 3.09Å
626	K	75.4	Confident	81.5	Confident	29 Å²	29	49.1 Å²	49.1	13%	0.126	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-47.1	172.1	-175.4	-156.9	170.7	-140.4	0	109.8	Y570 V622 W629 G630 E680	Y570-K626 HydrophobicContact CE1-CD 4.17Å; V622-K626 WeakPolarHBondContact O-CB 3.27Å; V622-K626 PolarHBondContact O-N 3.48Å; K626-W629 PolarHBondContact O-N 2.85Å; K626-G630 PolarHBondContact O-N 3.45Å; K626-E680 VanDerWaalsContact CE-OE1 3.32Å; K626-E680 WeakPolarHBondContact CE-OE1 3.25Å; K626-E680 VanDerWaalsContact CE-OE2 3.22Å; K626-E680 WeakPolarHBondContact CE-OE2 3.35Å; K626-E680 IonicContact NZ-OE1 2.83Å; K626-E680 PolarHBondContact NZ-OE1 3.09Å; K626-E680 IonicContact NZ-OE2 2.7Å; K626-E680 PolarHBondContact NZ-OE2 3.04Å
627	Q	81.1	Confident	81.5	Confident	14 Å²	14	52.3 Å²	52.3	7%	0.065	29%	0.289	C	S	.	.	H	α-helix	trans	-68.8	-49.4	-173.1	-158.3	65	56.9	0	0	112.5	M623 A624 G625 W629 G630 N631 E680 N705 E709	M623-Q627 WeakPolarHBondContact O-CB 3.41Å; M623-Q627 PolarHBondContact O-N 2.79Å; A624-Q627 PolarHBondContact O-N 2.86Å; G625-Q627 VanDerWaalsContact C-N 3.32Å; G625-Q627 PolarHBondContact O-N 3.38Å; Q627-W629 PolarHBondContact O-N 3.01Å; Q627-G630 CarbonylContact O-C 3.48Å; Q627-G630 WeakPolarHBondContact O-CA 3.49Å; Q627-G630 PolarHBondContact O-N 2.89Å; Q627-N631 PolarHBondContact NE2-OD1 3.1Å; Q627-N631 PolarHBondContact O-N 3.26Å; Q627-N631 PolarHBondContact O-OD1 2.73Å; Q627-E680 PolarHBondContact NE2-OE1 3.43Å; Q627-E680 PolarHBondContact OE1-OE1 3.19Å; Q627-N705 VanDerWaalsContact CD-CG 3.43Å; Q627-N705 HydrophobicContact CG-CB 3.93Å; Q627-N705 WeakPolarHBondContact CG-ND2 3.47Å; Q627-N705 WeakPolarHBondContact CG-OD1 3.48Å; Q627-N705 PolarHBondContact NE2-ND2 3.02Å; Q627-N705 VanDerWaalsContact NE2-ND2 3.1Å; Q627-E709 PolarHBondContact NE2-OE1 2.93Å
628	V	81.7	Confident	81.8	Confident	91 Å²	91	50 Å²	50	55%	0.552	27%	0.274	S	S	*	.	H	α-helix	trans	-59.1	-38.4	175.3	171.6	0	0	0	0	111	A624 I632	A624-V628 WeakPolarHBondContact O-CB 3.37Å; A624-V628 VanDerWaalsContact O-CG2 3.29Å; A624-V628 WeakPolarHBondContact O-CG2 3.35Å; A624-V628 PolarHBondContact O-N 3.25Å; V628-I632 HydrophobicContact CG1-CD1 3.78Å; V628-I632 VanDerWaalsContact O-CB 3.32Å; V628-I632 WeakPolarHBondContact O-CB 3.24Å; V628-I632 WeakPolarHBondContact O-CD1 3.36Å; V628-I632 WeakPolarHBondContact O-CG1 3.35Å; V628-I632 PolarHBondContact O-N 2.87Å
629	W	80.3	Confident	82.1	Confident	141 Å²	141	51.7 Å²	51.7	53%	0.534	28%	0.284	S	S	.	.	H	α-helix	trans	-66.3	-42.2	173.1	-175.9	-94.6	0	0	0	112.8	G625 K626 Q627 I632 Q633	G625-W629 VanDerWaalsContact O-CB 3.26Å; G625-W629 WeakPolarHBondContact O-CB 3.24Å; G625-W629 PolarHBondContact O-N 3.36Å; G625-W629 VanDerWaalsContact O-N 3.09Å; K626-W629 PolarHBondContact O-N 2.85Å; Q627-W629 PolarHBondContact O-N 3.01Å; W629-I632 PolarHBondContact O-N 2.87Å; W629-Q633 WeakPolarHBondContact O-CB 3.36Å; W629-Q633 PolarHBondContact O-N 3.47Å
630	G	80.3	Confident	82.3	Confident	10 Å²	10	56.2 Å²	56.2	10%	0.103	31%	0.307	C	S	.	.	H	α-helix	trans	-54.5	-67.4	175	0	0	0	0	0	110.5	K626 Q627 I632 Q633 E634	K626-G630 PolarHBondContact O-N 3.45Å; Q627-G630 CarbonylContact O-C 3.48Å; Q627-G630 WeakPolarHBondContact O-CA 3.49Å; Q627-G630 PolarHBondContact O-N 2.89Å; G630-I632 PolarHBondContact O-N 3.11Å; G630-I632 VanDerWaalsContact O-N 3.09Å; G630-Q633 CarbonylContact O-C 3.58Å; G630-Q633 WeakPolarHBondContact O-CA 3.42Å; G630-Q633 WeakPolarHBondContact O-CB 3.44Å; G630-Q633 PolarHBondContact O-N 3.5Å; G630-E634 WeakPolarHBondContact O-CB 3.47Å; G630-E634 WeakPolarHBondContact O-CG 3.42Å; G630-E634 PolarHBondContact O-N 3.46Å
631	N	85.6	Confident	82.4	Confident	21 Å²	21	60.9 Å²	60.9	11%	0.112	32%	0.319	C	S	.	.	H	α-helix	trans	-55.6	-34.3	-177.3	-54.1	34.1	0	0	0	112.3	Q627 A635 N705 E709	Q627-N631 PolarHBondContact NE2-OD1 3.1Å; Q627-N631 PolarHBondContact O-N 3.26Å; Q627-N631 PolarHBondContact O-OD1 2.73Å; N631-A635 VanDerWaalsContact O-CB 3.29Å; N631-A635 WeakPolarHBondContact O-CB 3.43Å; N631-A635 PolarHBondContact O-N 2.99Å; N631-N705 PolarHBondContact ND2-OD1 2.92Å; N631-N705 PolarHBondContact OD1-OD1 3.49Å; N631-E709 PolarHBondContact ND2-OE2 3.13Å; N631-E709 PolarHBondContact OD1-OE2 2.62Å
632	I	85.9	Confident	82.7	Confident	85 Å²	85	57 Å²	57	44%	0.436	30%	0.299	S	S	.	.	H	α-helix	trans	-67.9	-50	172.6	-72.2	170.6	0	0	0	111.5	V628 W629 G630 E634 A635 L636	V628-I632 HydrophobicContact CG1-CD1 3.78Å; V628-I632 VanDerWaalsContact O-CB 3.32Å; V628-I632 WeakPolarHBondContact O-CB 3.24Å; V628-I632 WeakPolarHBondContact O-CD1 3.36Å; V628-I632 WeakPolarHBondContact O-CG1 3.35Å; V628-I632 PolarHBondContact O-N 2.87Å; W629-I632 PolarHBondContact O-N 2.87Å; G630-I632 PolarHBondContact O-N 3.11Å; G630-I632 VanDerWaalsContact O-N 3.09Å; I632-E634 VanDerWaalsContact C-N 3.33Å; I632-E634 PolarHBondContact O-N 3.49Å; I632-A635 PolarHBondContact O-N 2.93Å; I632-L636 WeakPolarHBondContact O-CB 3.23Å; I632-L636 PolarHBondContact O-N 2.93Å
633	Q	83	Confident	83	Confident	73 Å²	73	61.9 Å²	61.9	34%	0.341	31%	0.313	S	S	.	.	H	α-helix	trans	-61.4	-43.5	179.7	-173.8	-178.5	-85.1	0	0	111.1	W629 G630 L637	W629-Q633 WeakPolarHBondContact O-CB 3.36Å; W629-Q633 PolarHBondContact O-N 3.47Å; G630-Q633 CarbonylContact O-C 3.58Å; G630-Q633 WeakPolarHBondContact O-CA 3.42Å; G630-Q633 WeakPolarHBondContact O-CB 3.44Å; G630-Q633 PolarHBondContact O-N 3.5Å; Q633-L637 HydrophobicContact CG-CD1 3.43Å; Q633-L637 VanDerWaalsContact CG-CD1 3.43Å; Q633-L637 HydrophobicContact CG-CG 3.78Å; Q633-L637 WeakPolarHBondContact O-CB 3.31Å; Q633-L637 VanDerWaalsContact O-CG 3.3Å; Q633-L637 WeakPolarHBondContact O-CG 3.48Å; Q633-L637 PolarHBondContact O-N 2.88Å
634	E	83.5	Confident	83.1	Confident	53 Å²	53	69.7 Å²	69.7	25%	0.248	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-43.1	176.9	-72.9	-80.4	127.1	0	0	112.9	G630 I632 P638 V712 K716	G630-E634 WeakPolarHBondContact O-CB 3.47Å; G630-E634 WeakPolarHBondContact O-CG 3.42Å; G630-E634 PolarHBondContact O-N 3.46Å; I632-E634 VanDerWaalsContact C-N 3.33Å; I632-E634 PolarHBondContact O-N 3.49Å; E634-P638 WeakPolarHBondContact O-CD 3.28Å; E634-P638 WeakPolarHBondContact O-CG 3.48Å; E634-V712 HydrophobicContact CB-CG1 4.28Å; E634-K716 WeakPolarHBondContact OE2-CD 3.36Å; E634-K716 IonicContact OE2-NZ 3.46Å; E634-K716 PolarHBondContact OE2-NZ 3.39Å
635	A	85.3	Confident	83	Confident	29 Å²	29	70.5 Å²	70.5	24%	0.24	35%	0.345	C	S	.	.	H	α-helix	trans	-77.3	-42.8	176.3	0	0	0	0	0	112.5	N631 I632 L639 W715	N631-A635 VanDerWaalsContact O-CB 3.29Å; N631-A635 WeakPolarHBondContact O-CB 3.43Å; N631-A635 PolarHBondContact O-N 2.99Å; I632-A635 PolarHBondContact O-N 2.93Å; A635-L639 WeakPolarHBondContact O-CD1 3.29Å; A635-W715 HydrophobicContact CB-CZ3 4.34Å
636	L	86.8	Confident	82.7	Confident	86 Å²	86	71 Å²	71	45%	0.45	34%	0.342	S	S	.	.	H	α-helix	trans	-86.5	-41.1	-166.8	-172.2	62.3	0	0	0	113.7	I632 L639 M640	I632-L636 WeakPolarHBondContact O-CB 3.23Å; I632-L636 PolarHBondContact O-N 2.93Å; L636-L639 PolarHBondContact O-N 3.33Å; L636-M640 HydrophobicContact CD1-CG 3.99Å; L636-M640 HydrophobicContact CD1-SD 4.15Å; L636-M640 HydrophobicContact CD2-SD 4.16Å; L636-M640 HydrophobicContact CG-CG 4.08Å; L636-M640 HydrophobicContact CG-SD 3.77Å; L636-M640 WeakPolarHBondContact O-CB 3.36Å; L636-M640 WeakPolarHBondContact O-CG 3.47Å; L636-M640 PolarHBondContact O-N 3.21Å
637	L	86	Confident	82.6	Confident	74 Å²	74	77 Å²	77	39%	0.387	36%	0.364	S	S	.	.	H	α-helix	trans	-58	-46.9	178.3	-71.3	-172.5	0	0	0	113.5	Q633 M640 R641	Q633-L637 HydrophobicContact CG-CD1 3.43Å; Q633-L637 VanDerWaalsContact CG-CD1 3.43Å; Q633-L637 HydrophobicContact CG-CG 3.78Å; Q633-L637 WeakPolarHBondContact O-CB 3.31Å; Q633-L637 VanDerWaalsContact O-CG 3.3Å; Q633-L637 WeakPolarHBondContact O-CG 3.48Å; Q633-L637 PolarHBondContact O-N 2.88Å; L637-M640 PolarHBondContact O-N 2.94Å; L637-R641 WeakPolarHBondContact O-CB 3.48Å; L637-R641 VanDerWaalsContact O-CG 3.28Å; L637-R641 WeakPolarHBondContact O-CG 3.32Å; L637-R641 PolarHBondContact O-N 3.45Å
638	P	85.8	Confident	82	Confident	10 Å²	10	84.6 Å²	84.6	7%	0.065	40%	0.397	C	S	.	.	H	α-helix	trans	-68.5	-38.1	179.3	26.2	-33.4	0	0	0	112.2	E634 R641 N642 L667 Q720	E634-P638 WeakPolarHBondContact O-CD 3.28Å; E634-P638 WeakPolarHBondContact O-CG 3.48Å; P638-R641 PolarHBondContact O-N 2.96Å; P638-N642 VanDerWaalsContact O-CB 3.26Å; P638-N642 WeakPolarHBondContact O-CB 3.3Å; P638-N642 VanDerWaalsContact O-CG 3.32Å; P638-N642 PolarHBondContact O-N 2.97Å; P638-N642 PolarHBondContact O-ND2 3.29Å; P638-L667 HydrophobicContact CB-CD1 3.68Å; P638-Q720 HydrophobicContact CB-CB 3.88Å; P638-Q720 HydrophobicContact CB-CG 4.13Å; P638-Q720 HydrophobicContact CG-CB 4.45Å; P638-Q720 HydrophobicContact CG-CG 4.31Å
639	L	85.9	Confident	80.8	Confident	75 Å²	75	80.8 Å²	80.8	39%	0.393	38%	0.376	S	S	.	.	H	α-helix	trans	-58.6	-50.5	172.5	-83.1	170.7	0	0	0	111.8	A635 L636 R641 N642 W643 W715	A635-L639 WeakPolarHBondContact O-CD1 3.29Å; L636-L639 PolarHBondContact O-N 3.33Å; L639-R641 VanDerWaalsContact C-N 3.34Å; L639-R641 PolarHBondContact O-N 3.48Å; L639-N642 PolarHBondContact O-N 3.49Å; L639-W643 WeakPolarHBondContact O-CB 3.4Å; L639-W643 PolarHBondContact O-N 3.44Å; L639-W715 HydrophobicContact CD1-CH2 3.65Å; L639-W715 HydrophobicContact CD1-CZ2 3.91Å; L639-W715 HydrophobicContact CD2-CH2 4.25Å; L639-W715 HydrophobicContact CD2-CZ2 4.11Å; L639-W715 HydrophobicContact CG-CH2 3.69Å; L639-W715 HydrophobicContact CG-CZ2 4.03Å
640	M	87	Confident	79.7	Confident	106 Å²	106	82.6 Å²	82.6	52%	0.522	38%	0.382	S	S	.	.	H	α-helix	trans	-61.6	-41.3	179.6	-72.9	-177.1	73.2	0	0	111.8	L636 L637 W644	L636-M640 HydrophobicContact CD1-CG 3.99Å; L636-M640 HydrophobicContact CD1-SD 4.15Å; L636-M640 HydrophobicContact CD2-SD 4.16Å; L636-M640 HydrophobicContact CG-CG 4.08Å; L636-M640 HydrophobicContact CG-SD 3.77Å; L636-M640 WeakPolarHBondContact O-CB 3.36Å; L636-M640 WeakPolarHBondContact O-CG 3.47Å; L636-M640 PolarHBondContact O-N 3.21Å; L637-M640 PolarHBondContact O-N 2.94Å; M640-W644 VanDerWaalsContact O-CB 3.26Å; M640-W644 WeakPolarHBondContact O-CB 3.47Å; M640-W644 PolarHBondContact O-N 3.37Å
641	R	84.9	Confident	78.4	Confident	147 Å²	147	90.4 Å²	90.4	56%	0.555	42%	0.416	S	S	*	.	H	α-helix	trans	-67.6	-47.7	177.6	-74.1	176.2	178	-172.8	1.5	112.3	L637 P638 L639 W644 S645 L667	L637-R641 WeakPolarHBondContact O-CB 3.48Å; L637-R641 VanDerWaalsContact O-CG 3.28Å; L637-R641 WeakPolarHBondContact O-CG 3.32Å; L637-R641 PolarHBondContact O-N 3.45Å; P638-R641 PolarHBondContact O-N 2.96Å; L639-R641 VanDerWaalsContact C-N 3.34Å; L639-R641 PolarHBondContact O-N 3.48Å; R641-W644 PolarHBondContact O-N 3.05Å; R641-S645 VanDerWaalsContact O-CB 3.25Å; R641-S645 WeakPolarHBondContact O-CB 3.11Å; R641-S645 PolarHBondContact O-N 3.32Å; R641-L667 HydrophobicContact CB-CD1 4.09Å; R641-L667 HydrophobicContact CB-CD2 4.21Å; R641-L667 HydrophobicContact CB-CG 4.4Å
642	N	84.1	Confident	76.6	Confident	15 Å²	15	93.9 Å²	93.9	8%	0.08	44%	0.435	C	S	.	.	H	α-helix	trans	-64.3	-40.4	177.8	-75.1	-21.4	0	0	0	111.4	P638 L639 S646 L667 Q720	P638-N642 VanDerWaalsContact O-CB 3.26Å; P638-N642 WeakPolarHBondContact O-CB 3.3Å; P638-N642 VanDerWaalsContact O-CG 3.32Å; P638-N642 PolarHBondContact O-N 2.97Å; P638-N642 PolarHBondContact O-ND2 3.29Å; L639-N642 PolarHBondContact O-N 3.49Å; N642-S646 VanDerWaalsContact O-CB 3.23Å; N642-S646 WeakPolarHBondContact O-CB 3.37Å; N642-S646 PolarHBondContact O-N 3.44Å; N642-L667 PolarHBondContact OD1-N 2.94Å; N642-Q720 WeakPolarHBondContact ND2-CA 3.18Å; N642-Q720 PolarHBondContact ND2-O 3.35Å; N642-Q720 PolarHBondContact ND2-OE1 3Å
643	W	82.8	Confident	74.9	Confident	145 Å²	145	95.6 Å²	95.6	55%	0.549	45%	0.451	S	S	.	.	H	α-helix	trans	-63.5	-46.2	174.6	178	88.7	0	0	0	112.2	L639 S646 R647	L639-W643 WeakPolarHBondContact O-CB 3.4Å; L639-W643 PolarHBondContact O-N 3.44Å; W643-S646 PolarHBondContact O-N 3.17Å; W643-R647 VanDerWaalsContact CZ2-NH1 3.33Å; W643-R647 WeakPolarHBondContact O-CB 3.09Å; W643-R647 PolarHBondContact O-N 2.87Å
644	W	83.3	Confident	73.2	Confident	181 Å²	181	100.2 Å²	100.2	69%	0.686	47%	0.473	S	S	*	.	H	α-helix	trans	-63.6	-45	176.4	-168.5	-62	0	0	0	111.6	M640 R641 R647 K648	M640-W644 VanDerWaalsContact O-CB 3.26Å; M640-W644 WeakPolarHBondContact O-CB 3.47Å; M640-W644 PolarHBondContact O-N 3.37Å; R641-W644 PolarHBondContact O-N 3.05Å; W644-R647 PolarHBondContact O-N 3.47Å; W644-K648 PolarHBondContact O-N 3.23Å
645	S	75.4	Confident	71.6	Confident	54 Å²	54	102 Å²	102	38%	0.378	48%	0.484	S	S	.	.	H	α-helix	trans	-56.4	-51.1	175.1	-173.6	0	0	0	0	111.1	R641 R647 K648 V665	R641-S645 VanDerWaalsContact O-CB 3.25Å; R641-S645 WeakPolarHBondContact O-CB 3.11Å; R641-S645 PolarHBondContact O-N 3.32Å; S645-R647 VanDerWaalsContact C-N 3.33Å; S645-R647 PolarHBondContact O-N 2.89Å; S645-K648 PolarHBondContact O-N 3.44Å; S645-V665 PolarHBondContact OG-O 3.31Å
646	S	71.6	Confident	70.4	Confident	51 Å²	51	106.9 Å²	106.9	36%	0.357	50%	0.502	S	S	.	.	H	α-helix	trans	-59.3	-39.8	176.6	-175	0	0	0	0	112.8	N642 W643	N642-S646 VanDerWaalsContact O-CB 3.23Å; N642-S646 WeakPolarHBondContact O-CB 3.37Å; N642-S646 PolarHBondContact O-N 3.44Å; W643-S646 PolarHBondContact O-N 3.17Å
647	R	74.6	Confident	69.7	Low	155 Å²	155	106.1 Å²	106.1	59%	0.585	49%	0.493	S	S	*	.	H	α-helix	trans	-66.2	-40.8	175.4	-119.1	178.6	176.8	-172	-2.2	112.8	W643 W644 S645 G649 R650	W643-R647 VanDerWaalsContact CZ2-NH1 3.33Å; W643-R647 WeakPolarHBondContact O-CB 3.09Å; W643-R647 PolarHBondContact O-N 2.87Å; W644-R647 PolarHBondContact O-N 3.47Å; S645-R647 VanDerWaalsContact C-N 3.33Å; S645-R647 PolarHBondContact O-N 2.89Å; R647-G649 VanDerWaalsContact C-N 3.28Å; R647-G649 PolarHBondContact O-N 2.83Å; R647-R650 VanDerWaalsContact O-CB 3.32Å; R647-R650 WeakPolarHBondContact O-CB 3.03Å; R647-R650 PolarHBondContact O-N 3.13Å
648	K	67.5	Low	69.6	Low	174 Å²	174	102.8 Å²	102.8	76%	0.757	48%	0.476	S	S	*	.	H	α-helix	trans	-61.9	-32.1	-174.4	-168.6	178.2	-179.9	-175.5	0	113.4	W644 S645	W644-K648 PolarHBondContact O-N 3.23Å; S645-K648 PolarHBondContact O-N 3.44Å
649	G	57.3	Low	69.5	Low	11 Å²	11	102.4 Å²	102.4	11%	0.113	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	1.9	175	0	0	0	0	0	115.3	K123 R647 H651	K123-G649 WeakPolarHBondContact CE-O 2.98Å; R647-G649 VanDerWaalsContact C-N 3.28Å; R647-G649 PolarHBondContact O-N 2.83Å; G649-H651 PolarHBondContact O-N 2.82Å
650	R	57.1	Low	69.6	Low	179 Å²	179	99.8 Å²	99.8	68%	0.675	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	46.6	-163.8	-150.3	-177.3	-160.8	-163	6.7	114.4	R647	R647-R650 VanDerWaalsContact O-CB 3.32Å; R647-R650 WeakPolarHBondContact O-CB 3.03Å; R647-R650 PolarHBondContact O-N 3.13Å
651	H	52.7	Low	69.6	Low	174 Å²	174	95.5 Å²	95.5	81%	0.806	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-26.7	-177.6	-104.2	-73	0	0	0	114.9	G649	G649-H651 PolarHBondContact O-N 2.82Å
652	N	48.8	Very low	69.6	Low	95 Å²	95	90.1 Å²	90.1	51%	0.508	42%	0.418	S	S	.	.			trans	-119	132.5	174.2	-80.8	-25.1	0	0	0	110.5
653	P	49.2	Very low	69.8	Low	120 Å²	120	89.5 Å²	89.5	78%	0.779	42%	0.415	S	S	*	.	S	Bend	trans	-90	-18.1	-175.2	31.4	-31.1	0	0	0	115.6
654	E	46.8	Very low	70.1	Confident	171 Å²	171	85 Å²	85	80%	0.799	40%	0.398	S	S	*	.	S	Bend	trans	-98	-18.3	-163.2	-54.5	-167.7	136.6	0	0	115.8	H656	E654-H656 PolarHBondContact O-N 3.44Å
655	N	51.6	Low	70.2	Confident	90 Å²	90	78.2 Å²	78.2	48%	0.481	38%	0.376	S	S	.	.			trans	-72.6	126.9	-174.3	-89.1	-8.8	0	0	0	113.2	Y657	N655-Y657 PolarHBondContact O-N 2.93Å
656	H	60.1	Low	70.9	Confident	132 Å²	132	76.9 Å²	76.9	61%	0.611	37%	0.365	S	S	*	.			trans	-70.1	112.7	166.8	-80.3	65.6	0	0	0	110.1	R70 E654	R70-H656 WeakPolarHBondContact CD-O 3.2Å; E654-H656 PolarHBondContact O-N 3.44Å
657	Y	71.1	Confident	71.6	Confident	69 Å²	69	76.4 Å²	76.4	27%	0.271	36%	0.358	S	S	.	.			trans	-63.3	141.3	-179.1	-60.3	-69.4	0	0	0	113.9	K123 N655 Q662	K123-Y657 HydrophobicContact CD-CD1 4.27Å; K123-Y657 HydrophobicContact CD-CE1 3.58Å; K123-Y657 HydrophobicContact CG-CE1 4.06Å; N655-Y657 PolarHBondContact O-N 2.93Å; Y657-Q662 PolarHBondContact O-NE2 2.91Å; Y657-Q662 VanDerWaalsContact O-NE2 3.09Å
658	S	83.2	Confident	72.2	Confident	5 Å²	5	73.6 Å²	73.6	4%	0.035	36%	0.355	C	S	.	.			trans	-73.4	164.7	172.9	81	0	0	0	0	112.9	R70 W660 E661 Q662	R70-S658 CarbonylContact O-C 3.57Å; R70-S658 WeakPolarHBondContact O-CA 3.44Å; S658-W660 VanDerWaalsContact OG-CD2 3.32Å; S658-W660 PolarHBondContact OG-NE1 2.97Å; S658-E661 PolarHBondContact N-OE2 3.3Å; S658-E661 PolarHBondContact O-N 3.07Å; S658-E661 WeakPolarHBondContact OG-CB 3.24Å; S658-E661 WeakPolarHBondContact OG-CG 3.45Å; S658-E661 PolarHBondContact OG-N 3.46Å; S658-E661 VanDerWaalsContact OG-N 3.11Å; S658-Q662 WeakPolarHBondContact O-CB 3.2Å; S658-Q662 WeakPolarHBondContact O-CG 3.22Å; S658-Q662 PolarHBondContact O-N 3.39Å; S658-Q662 PolarHBondContact O-NE2 3.21Å; S658-Q662 VanDerWaalsContact O-NE2 3.08Å
659	R	85.3	Confident	72.9	Confident	1 Å²	1	66.8 Å²	66.8	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-59.7	-45	173.9	-70.2	-59.2	-56	115.6	21.6	112.4	R70 D71 T72 V73 H254 Q662 D663	R70-R659 PolarHBondContact O-N 3.02Å; D71-R659 WeakPolarHBondContact OD1-CD 3.46Å; T72-R659 WeakPolarHBondContact O-CB 3.26Å; T72-R659 WeakPolarHBondContact O-CG 3.23Å; V73-R659 HydrophobicContact CG1-CG 4.44Å; H254-R659 PolarHBondContact O-NE 2.8Å; H254-R659 PolarHBondContact O-NH2 3.2Å; R659-Q662 PolarHBondContact O-N 3.15Å; R659-D663 IonicContact CZ-OD1 3.76Å; R659-D663 IonicContact NH1-OD1 2.68Å; R659-D663 IonicContact NH2-OD1 3.67Å; R659-D663 PolarHBondContact NH2-OD1 3.33Å; R659-D663 VanDerWaalsContact NH2-OD1 3.07Å; R659-D663 IonicContact NH2-OD2 3.81Å; R659-D663 PolarHBondContact NH2-OD2 3.4Å; R659-D663 VanDerWaalsContact NH2-OD2 3.07Å; R659-D663 PolarHBondContact O-N 3.3Å; R659-D663 VanDerWaalsContact O-N 3.08Å
660	W	87.7	Confident	73.8	Confident	21 Å²	21	69.2 Å²	69.2	8%	0.08	34%	0.34	C	S	.	.	H	α-helix	trans	-68.8	-33.7	-179.1	49.2	92.2	0	0	0	113.1	I82 V85 E117 F129 K131 L253 S658 Y664	I82-W660 HydrophobicContact CD1-CE3 3.91Å; I82-W660 HydrophobicContact CD1-CZ3 3.82Å; V85-W660 HydrophobicContact CG1-CB 4.35Å; V85-W660 HydrophobicContact CG2-CB 4.16Å; E117-W660 HydrophobicContact CG-CZ2 3.73Å; F129-W660 AromaticContact CD2-CD1 3.59Å; F129-W660 AromaticContact CD2-NE1 3.99Å; F129-W660 AromaticContact CG-CD1 3.53Å; F129-W660 HydrophobicContact CG-CG 4.48Å; K131-W660 HydrophobicContact CD-CD2 4.5Å; K131-W660 HydrophobicContact CD-CE3 4.13Å; K131-W660 HydrophobicContact CD-CH2 4.23Å; K131-W660 HydrophobicContact CD-CZ3 3.99Å; L253-W660 HydrophobicContact CD2-CB 4.05Å; S658-W660 VanDerWaalsContact OG-CD2 3.32Å; S658-W660 PolarHBondContact OG-NE1 2.97Å; W660-Y664 WeakPolarHBondContact O-CB 3.16Å; W660-Y664 PolarHBondContact O-N 3.39Å
661	E	86.5	Confident	74.3	Confident	16 Å²	16	66.6 Å²	66.6	8%	0.075	34%	0.336	C	S	.	.	H	α-helix	trans	-67.6	-44	170.9	-73.5	-173.4	135.2	0	0	112.7	S122 K123 F129 S658 D663 Y664 V665	S122-E661 WeakPolarHBondContact CA-OE1 3.49Å; K123-E661 VanDerWaalsContact CB-OE1 3.28Å; K123-E661 WeakPolarHBondContact CB-OE1 3.26Å; K123-E661 PolarHBondContact N-OE1 3.22Å; F129-E661 HydrophobicContact CE2-CG 3.89Å; F129-E661 HydrophobicContact CZ-CG 4.16Å; S658-E661 PolarHBondContact N-OE2 3.3Å; S658-E661 PolarHBondContact O-N 3.07Å; S658-E661 WeakPolarHBondContact OG-CB 3.24Å; S658-E661 WeakPolarHBondContact OG-CG 3.45Å; S658-E661 PolarHBondContact OG-N 3.46Å; S658-E661 VanDerWaalsContact OG-N 3.11Å; E661-D663 VanDerWaalsContact C-N 3.31Å; E661-D663 PolarHBondContact O-N 3.4Å; E661-Y664 PolarHBondContact O-N 2.69Å; E661-V665 WeakPolarHBondContact O-CG2 3.37Å; E661-V665 PolarHBondContact O-N 2.91Å
662	Q	85	Confident	75.2	Confident	34 Å²	34	59.9 Å²	59.9	16%	0.159	31%	0.306	C	S	.	.	H	α-helix	trans	-56.8	-47.2	177.8	-74.5	168.7	66.8	0	0	110.8	D71 Y657 S658 R659	D71-Q662 PolarHBondContact OD1-NE2 3.08Å; Y657-Q662 PolarHBondContact O-NE2 2.91Å; Y657-Q662 VanDerWaalsContact O-NE2 3.09Å; S658-Q662 WeakPolarHBondContact O-CB 3.2Å; S658-Q662 WeakPolarHBondContact O-CG 3.22Å; S658-Q662 PolarHBondContact O-N 3.39Å; S658-Q662 PolarHBondContact O-NE2 3.21Å; S658-Q662 VanDerWaalsContact O-NE2 3.08Å; R659-Q662 PolarHBondContact O-N 3.15Å
663	D	89.2	Confident	76.5	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.011	29%	0.287	C	S	.	.	H	α-helix	trans	-77.2	-30.1	-179.5	-64.8	-12.5	0	0	0	111.9	F251 L253 H254 R271 R659 E661 V665 L666 R722	F251-D663 HydrophobicContact CE2-CB 4.01Å; L253-D663 HydrophobicContact CD2-CB 4.4Å; H254-D663 WeakPolarHBondContact CB-OD2 3.46Å; H254-D663 IonicContact CD2-OD1 3.42Å; H254-D663 IonicContact CD2-OD2 3.97Å; H254-D663 PolarHBondContact CD2-OD2 3.41Å; H254-D663 IonicContact CG-OD2 2.79Å; H254-D663 PolarHBondContact N-OD2 2.82Å; R271-D663 IonicContact NH1-OD1 3.75Å; R271-D663 PolarHBondContact NH1-OD1 3.33Å; R659-D663 IonicContact CZ-OD1 3.76Å; R659-D663 IonicContact NH1-OD1 2.68Å; R659-D663 IonicContact NH2-OD1 3.67Å; R659-D663 PolarHBondContact NH2-OD1 3.33Å; R659-D663 VanDerWaalsContact NH2-OD1 3.07Å; R659-D663 IonicContact NH2-OD2 3.81Å; R659-D663 PolarHBondContact NH2-OD2 3.4Å; R659-D663 VanDerWaalsContact NH2-OD2 3.07Å; R659-D663 PolarHBondContact O-N 3.3Å; R659-D663 VanDerWaalsContact O-N 3.08Å; E661-D663 VanDerWaalsContact C-N 3.31Å; E661-D663 PolarHBondContact O-N 3.4Å; D663-V665 VanDerWaalsContact C-N 3.3Å; D663-V665 PolarHBondContact O-N 3.43Å; D663-L666 WeakPolarHBondContact O-CB 3.32Å; D663-L666 PolarHBondContact O-N 3.31Å; D663-L666 VanDerWaalsContact O-N 3.15Å; D663-R722 VanDerWaalsContact O-CG 3.28Å; D663-R722 WeakPolarHBondContact O-CG 3.25Å; D663-R722 PolarHBondContact O-NE 3.18Å
664	Y	88	Confident	78.3	Confident	51 Å²	51	50.7 Å²	50.7	20%	0.2	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-33.6	173.1	179.5	-112.9	0	0	0	113.3	S87 T127 F129 A249 F251 W660 E661 L666 R722	S87-Y664 VanDerWaalsContact OG-CE2 3.23Å; S87-Y664 WeakPolarHBondContact OG-CE2 3.37Å; T127-Y664 HydrophobicContact CG2-CE1 4.34Å; F129-Y664 HydrophobicContact CE1-CD1 4.09Å; F129-Y664 HydrophobicContact CE1-CD2 4.06Å; F129-Y664 AromaticContact CE1-CG 3.74Å; F129-Y664 HydrophobicContact CE1-CG 3.74Å; F129-Y664 AromaticContact CZ-CD1 3.94Å; F129-Y664 HydrophobicContact CZ-CD1 3.94Å; F129-Y664 HydrophobicContact CZ-CE1 4.49Å; F129-Y664 HydrophobicContact CZ-CG 4.06Å; A249-Y664 HydrophobicContact CB-CE2 4.29Å; F251-Y664 HydrophobicContact CE1-CD2 4.02Å; F251-Y664 HydrophobicContact CZ-CD2 4.3Å; W660-Y664 WeakPolarHBondContact O-CB 3.16Å; W660-Y664 PolarHBondContact O-N 3.39Å; E661-Y664 PolarHBondContact O-N 2.69Å; Y664-L666 VanDerWaalsContact C-N 3.26Å; Y664-L666 PolarHBondContact O-N 2.89Å; Y664-R722 PolarHBondContact O-NH2 3.37Å
665	V	86.2	Confident	80.2	Confident	37 Å²	37	43.3 Å²	43.3	22%	0.224	22%	0.218	C	C	.	.	H	α-helix	trans	-69.2	-24	177.5	172	0	0	0	0	112.6	S645 E661 D663	S645-V665 PolarHBondContact OG-O 3.31Å; E661-V665 WeakPolarHBondContact O-CG2 3.37Å; E661-V665 PolarHBondContact O-N 2.91Å; D663-V665 VanDerWaalsContact C-N 3.3Å; D663-V665 PolarHBondContact O-N 3.43Å
666	L	88.6	Confident	81.9	Confident	26 Å²	26	42.9 Å²	42.9	14%	0.136	21%	0.21	C	C	.	.	S	Bend	trans	-70.6	157.6	178.7	-59.1	176.6	0	0	0	112.3	D663 Y664 R722	D663-L666 WeakPolarHBondContact O-CB 3.32Å; D663-L666 PolarHBondContact O-N 3.31Å; D663-L666 VanDerWaalsContact O-N 3.15Å; Y664-L666 VanDerWaalsContact C-N 3.26Å; Y664-L666 PolarHBondContact O-N 2.89Å; L666-R722 HydrophobicContact CB-CG 3.87Å; L666-R722 PolarHBondContact O-NE 2.96Å; L666-R722 PolarHBondContact O-NH2 3Å
667	L	88	Confident	83.4	Confident	42 Å²	42	37.2 Å²	37.2	22%	0.22	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-67.7	137.4	177.5	-78.2	172.3	0	0	0	112.5	P638 R641 N642 Q720 F721 R722	P638-L667 HydrophobicContact CB-CD1 3.68Å; R641-L667 HydrophobicContact CB-CD1 4.09Å; R641-L667 HydrophobicContact CB-CD2 4.21Å; R641-L667 HydrophobicContact CB-CG 4.4Å; N642-L667 PolarHBondContact OD1-N 2.94Å; L667-Q720 PolarHBondContact N-O 3.31Å; L667-F721 HydrophobicContact CB-CD1 3.86Å; L667-F721 HydrophobicContact CB-CE1 4.2Å; L667-F721 CarbonylContact O-C 3.6Å; L667-F721 WeakPolarHBondContact O-CA 3.3Å; L667-R722 PolarHBondContact O-N 3.09Å
668	N	86.3	Confident	84.4	Confident	96 Å²	96	34.6 Å²	34.6	51%	0.513	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-71.8	130.2	173.5	-172.3	63	0	0	0	111.2
669	F	83.2	Confident	84.7	Confident	31 Å²	31	34.9 Å²	34.9	14%	0.136	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-73.3	129.1	171.6	-169.7	-104.3	0	0	0	110.4	L674 F717 F721 P724	F669-L674 HydrophobicContact CZ-CG 4.11Å; F669-F717 AromaticContact CD2-CE1 3.91Å; F669-F717 HydrophobicContact CD2-CE1 3.91Å; F669-F717 HydrophobicContact CD2-CZ 4.42Å; F669-F717 HydrophobicContact CE1-CE1 4.49Å; F669-F717 HydrophobicContact CE2-CD1 4.48Å; F669-F717 AromaticContact CE2-CE1 3.39Å; F669-F717 HydrophobicContact CE2-CE1 3.39Å; F669-F717 AromaticContact CE2-CZ 3.53Å; F669-F717 HydrophobicContact CE2-CZ 3.53Å; F669-F717 AromaticContact CZ-CE1 3.72Å; F669-F717 HydrophobicContact CZ-CE1 3.72Å; F669-F717 AromaticContact CZ-CZ 3.8Å; F669-F717 HydrophobicContact CZ-CZ 3.8Å; F669-F721 AromaticContact CD2-CD2 3.78Å; F669-F721 HydrophobicContact CD2-CD2 3.78Å; F669-F721 AromaticContact CD2-CE2 3.82Å; F669-F721 HydrophobicContact CD2-CE2 3.82Å; F669-F721 HydrophobicContact CD2-CG 4.17Å; F669-F721 HydrophobicContact CD2-CZ 4.27Å; F669-F721 HydrophobicContact CE2-CD2 4.34Å; F669-F721 HydrophobicContact CE2-CE2 4.1Å; F669-P724 HydrophobicContact CB-CB 4.38Å; F669-P724 HydrophobicContact CD1-CB 3.89Å; F669-P724 HydrophobicContact CG-CB 4.31Å
670	S	75.3	Confident	84.9	Confident	61 Å²	61	36.6 Å²	36.6	43%	0.427	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-76.7	148.3	179.1	-177.7	0	0	0	0	111.1	I672 G673	S670-I672 PolarHBondContact O-N 3.38Å; S670-I672 PolarHBondContact OG-N 3.29Å; S670-G673 PolarHBondContact O-N 2.89Å
671	Q	67.5	Low	85.1	Confident	124 Å²	124	35.6 Å²	35.6	58%	0.579	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24	168.6	-77.5	165.9	57	0	0	111.9
672	I	71.3	Confident	85.5	Confident	33 Å²	33	34.9 Å²	34.9	17%	0.169	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	3.8	176	-44.5	175.6	0	0	0	111.2	I540 L558 S670 L674 F675 Y676	I540-I672 HydrophobicContact CD1-CD1 3.77Å; I540-I672 HydrophobicContact CG1-CD1 4.16Å; L558-I672 HydrophobicContact CD2-CD1 4.21Å; S670-I672 PolarHBondContact O-N 3.38Å; S670-I672 PolarHBondContact OG-N 3.29Å; I672-L674 PolarHBondContact O-N 3.2Å; I672-F675 HydrophobicContact CG2-CB 3.91Å; I672-F675 HydrophobicContact CG2-CD1 4.07Å; I672-F675 HydrophobicContact CG2-CG 4.21Å; I672-F675 WeakPolarHBondContact O-CB 3.3Å; I672-F675 PolarHBondContact O-N 3.34Å; I672-F675 VanDerWaalsContact O-N 3.16Å; I672-Y676 HydrophobicContact CG2-CE2 3.94Å; I672-Y676 WeakPolarHBondContact O-CD2 3.46Å
673	G	76.7	Confident	85.8	Confident	11 Å²	11	33.2 Å²	33.2	11%	0.113	17%	0.168	C	C	.	.	H	α-helix	trans	-54.9	-59	-174.7	0	0	0	0	0	112.9	S670 F675 Y676	S670-G673 PolarHBondContact O-N 2.89Å; G673-F675 PolarHBondContact O-N 2.79Å; G673-F675 VanDerWaalsContact O-N 3.08Å; G673-Y676 PolarHBondContact O-N 3.14Å
674	L	86.6	Confident	85.9	Confident	12 Å²	12	33.3 Å²	33.3	6%	0.063	17%	0.168	C	C	.	.	H	α-helix	trans	-55.2	-26.7	178	-89.6	166.8	0	0	0	114.4	K300 I301 Y304 F669 I672 Y676 E677 Y678	K300-L674 HydrophobicContact CD-CD1 4.22Å; K300-L674 HydrophobicContact CG-CD1 3.82Å; I301-L674 HydrophobicContact CG1-CD1 3.95Å; Y304-L674 HydrophobicContact CD1-CD2 4.2Å; Y304-L674 HydrophobicContact CD2-CD2 4.16Å; Y304-L674 HydrophobicContact CG-CD2 3.78Å; F669-L674 HydrophobicContact CZ-CG 4.11Å; I672-L674 PolarHBondContact O-N 3.2Å; L674-Y676 VanDerWaalsContact C-N 3.29Å; L674-Y676 PolarHBondContact O-N 3.05Å; L674-E677 HydrophobicContact CD2-CG 4.41Å; L674-E677 PolarHBondContact O-N 2.76Å; L674-Y678 HydrophobicContact CD2-CE2 4.32Å; L674-Y678 VanDerWaalsContact O-CD2 3.26Å; L674-Y678 WeakPolarHBondContact O-CD2 3.3Å; L674-Y678 PolarHBondContact O-N 2.93Å; L674-Y678 VanDerWaalsContact O-N 3.09Å
675	F	87.4	Confident	86.2	Confident	16 Å²	16	31 Å²	31	7%	0.07	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-37.2	177.8	162.7	-85.7	0	0	0	111.3	T559 M562 I672 G673 L679 W735	T559-F675 HydrophobicContact CG2-CD2 4.1Å; T559-F675 HydrophobicContact CG2-CE2 4.06Å; M562-F675 HydrophobicContact CB-CE1 4.06Å; M562-F675 HydrophobicContact CB-CE2 3.85Å; M562-F675 HydrophobicContact CB-CZ 3.35Å; M562-F675 HydrophobicContact CE-CD1 4.06Å; M562-F675 HydrophobicContact CE-CE1 3.48Å; M562-F675 VanDerWaalsContact CE-CE1 3.48Å; M562-F675 HydrophobicContact CE-CZ 4.05Å; M562-F675 HydrophobicContact CG-CZ 4.27Å; M562-F675 HydrophobicContact SD-CD1 4.27Å; M562-F675 HydrophobicContact SD-CE1 3.89Å; M562-F675 HydrophobicContact SD-CZ 4.05Å; I672-F675 HydrophobicContact CG2-CB 3.91Å; I672-F675 HydrophobicContact CG2-CD1 4.07Å; I672-F675 HydrophobicContact CG2-CG 4.21Å; I672-F675 WeakPolarHBondContact O-CB 3.3Å; I672-F675 PolarHBondContact O-N 3.34Å; I672-F675 VanDerWaalsContact O-N 3.16Å; G673-F675 PolarHBondContact O-N 2.79Å; G673-F675 VanDerWaalsContact O-N 3.08Å; F675-L679 HydrophobicContact CE1-CB 4.24Å; F675-L679 HydrophobicContact CE1-CD2 3.81Å; F675-L679 HydrophobicContact CZ-CB 4.19Å; F675-L679 HydrophobicContact CZ-CD1 4.26Å; F675-L679 HydrophobicContact CZ-CD2 3.95Å; F675-L679 HydrophobicContact CZ-CG 4.36Å; F675-L679 WeakPolarHBondContact O-CB 3.45Å; F675-L679 PolarHBondContact O-N 2.74Å; F675-W735 AromaticContact CD2-CH2 3.97Å; F675-W735 HydrophobicContact CD2-CH2 3.97Å; F675-W735 AromaticContact CD2-CZ2 3.39Å; F675-W735 HydrophobicContact CD2-CZ2 3.39Å; F675-W735 AromaticContact CE2-CH2 3.51Å; F675-W735 HydrophobicContact CE2-CH2 3.51Å; F675-W735 AromaticContact CE2-CZ2 3.47Å; F675-W735 HydrophobicContact CE2-CZ2 3.47Å; F675-W735 VanDerWaalsContact CE2-CZ2 3.47Å; F675-W735 HydrophobicContact CG-CZ2 4.24Å; F675-W735 HydrophobicContact CZ-CH2 4.17Å; F675-W735 HydrophobicContact CZ-CZ2 4.37Å; F675-W735 WeakPolarHBondContact O-CZ2 3.46Å
676	Y	87.1	Confident	86.6	Confident	80 Å²	80	29.2 Å²	29.2	31%	0.314	15%	0.148	S	C	.	.	H	α-helix	trans	-71.5	-40.4	178.7	-67.3	-70.7	0	0	0	112	E536 M562 I672 G673 L674 Y678 L679 E680	E536-Y676 WeakPolarHBondContact CG-OH 3.19Å; E536-Y676 PolarHBondContact OE2-OH 3.44Å; M562-Y676 HydrophobicContact CE-CE1 4.28Å; I672-Y676 HydrophobicContact CG2-CE2 3.94Å; I672-Y676 WeakPolarHBondContact O-CD2 3.46Å; G673-Y676 PolarHBondContact O-N 3.14Å; L674-Y676 VanDerWaalsContact C-N 3.29Å; L674-Y676 PolarHBondContact O-N 3.05Å; Y676-Y678 PolarHBondContact O-N 3.49Å; Y676-L679 HydrophobicContact CD1-CD2 4.4Å; Y676-L679 PolarHBondContact O-N 2.93Å; Y676-E680 PolarHBondContact O-N 3.27Å
677	E	90.8	Very high	86.7	Confident	14 Å²	14	28.4 Å²	28.4	7%	0.065	14%	0.144	C	C	.	.	H	α-helix	trans	-59	-49.2	176.5	-30.5	-70.7	-157.3	0	0	110.7	Y304 L674 E680 M681 K716	Y304-E677 HydrophobicContact CD2-CB 4.49Å; Y304-E677 HydrophobicContact CE1-CB 4.34Å; Y304-E677 HydrophobicContact CE2-CB 3.7Å; L674-E677 HydrophobicContact CD2-CG 4.41Å; L674-E677 PolarHBondContact O-N 2.76Å; E677-E680 PolarHBondContact O-N 2.82Å; E677-M681 PolarHBondContact O-N 3.09Å; E677-K716 WeakPolarHBondContact OE1-CE 3.05Å; E677-K716 IonicContact OE1-NZ 2.68Å; E677-K716 PolarHBondContact OE1-NZ 3Å; E677-K716 IonicContact OE2-NZ 2.65Å; E677-K716 PolarHBondContact OE2-NZ 3.42Å
678	Y	92.9	Very high	86.9	Confident	13 Å²	13	26.4 Å²	26.4	5%	0.051	13%	0.134	C	C	.	.	H	α-helix	trans	-65.6	-40.2	173.6	-80.5	-71.6	0	0	0	112.6	Y304 W307 L674 Y676 E680 M681 V682 I732 W735	Y304-Y678 WeakPolarHBondContact CA-OH 3.07Å; Y304-Y678 AromaticContact CD2-CD1 3.93Å; Y304-Y678 HydrophobicContact CD2-CD1 3.93Å; Y304-Y678 HydrophobicContact CD2-CD2 4.04Å; Y304-Y678 AromaticContact CD2-CE1 3.76Å; Y304-Y678 HydrophobicContact CD2-CE1 3.76Å; Y304-Y678 AromaticContact CD2-CE2 3.87Å; Y304-Y678 HydrophobicContact CD2-CE2 3.87Å; Y304-Y678 HydrophobicContact CD2-CG 4.07Å; Y304-Y678 AromaticContact CD2-CZ 3.73Å; Y304-Y678 HydrophobicContact CE2-CD1 4.34Å; Y304-Y678 HydrophobicContact CE2-CG 4.39Å; Y304-Y678 HydrophobicContact CG-CE2 4.47Å; Y304-Y678 PolarHBondContact N-OH 2.89Å; W307-Y678 HydrophobicContact CD2-CE1 4.23Å; W307-Y678 AromaticContact CE3-CD1 3.97Å; W307-Y678 HydrophobicContact CE3-CD1 3.97Å; W307-Y678 AromaticContact CE3-CE1 3.89Å; W307-Y678 HydrophobicContact CE3-CE1 3.89Å; W307-Y678 HydrophobicContact CZ3-CD1 4.05Å; W307-Y678 HydrophobicContact CZ3-CE1 4.44Å; L674-Y678 HydrophobicContact CD2-CE2 4.32Å; L674-Y678 VanDerWaalsContact O-CD2 3.26Å; L674-Y678 WeakPolarHBondContact O-CD2 3.3Å; L674-Y678 PolarHBondContact O-N 2.93Å; L674-Y678 VanDerWaalsContact O-N 3.09Å; Y676-Y678 PolarHBondContact O-N 3.49Å; Y678-E680 VanDerWaalsContact C-N 3.31Å; Y678-E680 PolarHBondContact O-N 3.5Å; Y678-M681 PolarHBondContact O-N 3.19Å; Y678-V682 VanDerWaalsContact O-CB 3.3Å; Y678-V682 WeakPolarHBondContact O-CB 3.42Å; Y678-V682 WeakPolarHBondContact O-CG2 3.48Å; Y678-V682 PolarHBondContact O-N 3.49Å; Y678-I732 HydrophobicContact CE1-CB 4.07Å; Y678-I732 HydrophobicContact CE1-CG2 3.95Å; Y678-W735 AromaticContact CD1-CD1 3.91Å; Y678-W735 HydrophobicContact CD1-CG 4.33Å; Y678-W735 AromaticContact CD2-CD1 3.75Å; Y678-W735 AromaticContact CD2-NE1 3.59Å; Y678-W735 AromaticContact CG-CD1 3.55Å; Y678-W735 HydrophobicContact CG-CG 4.23Å; Y678-W735 AromaticContact CG-NE1 3.48Å
679	L	90.3	Very high	87.3	Confident	12 Å²	12	22 Å²	22	6%	0.063	11%	0.11	C	C	.	.	H	α-helix	trans	-60.2	-41.4	178.9	176.7	69.8	0	0	0	111.3	F563 Q566 F675 Y676 I683 W735	F563-L679 HydrophobicContact CD2-CD1 4.24Å; Q566-L679 HydrophobicContact CB-CD1 4.01Å; Q566-L679 HydrophobicContact CG-CD1 4.18Å; Q566-L679 HydrophobicContact CG-CD2 3.92Å; F675-L679 HydrophobicContact CE1-CB 4.24Å; F675-L679 HydrophobicContact CE1-CD2 3.81Å; F675-L679 HydrophobicContact CZ-CB 4.19Å; F675-L679 HydrophobicContact CZ-CD1 4.26Å; F675-L679 HydrophobicContact CZ-CD2 3.95Å; F675-L679 HydrophobicContact CZ-CG 4.36Å; F675-L679 WeakPolarHBondContact O-CB 3.45Å; F675-L679 PolarHBondContact O-N 2.74Å; Y676-L679 HydrophobicContact CD1-CD2 4.4Å; Y676-L679 PolarHBondContact O-N 2.93Å; L679-I683 HydrophobicContact CD1-CD1 4.46Å; L679-I683 HydrophobicContact CD1-CG1 3.87Å; L679-I683 HydrophobicContact CG-CG1 4.3Å; L679-I683 VanDerWaalsContact O-CB 3.28Å; L679-I683 WeakPolarHBondContact O-CB 3.41Å; L679-I683 WeakPolarHBondContact O-CG1 3.31Å; L679-I683 PolarHBondContact O-N 2.92Å; L679-W735 HydrophobicContact CB-CH2 3.82Å; L679-W735 HydrophobicContact CB-CZ2 4.29Å; L679-W735 HydrophobicContact CD1-CH2 4.01Å
680	E	88.6	Confident	87.8	Confident	37 Å²	37	20.5 Å²	20.5	17%	0.173	10%	0.104	C	C	.	.	H	α-helix	trans	-54.2	-56.7	176	-167.2	69.4	-157.5	0	0	110.2	K626 Q627 Y676 E677 Y678 I683 Q684	K626-E680 VanDerWaalsContact CE-OE1 3.32Å; K626-E680 WeakPolarHBondContact CE-OE1 3.25Å; K626-E680 VanDerWaalsContact CE-OE2 3.22Å; K626-E680 WeakPolarHBondContact CE-OE2 3.35Å; K626-E680 IonicContact NZ-OE1 2.83Å; K626-E680 PolarHBondContact NZ-OE1 3.09Å; K626-E680 IonicContact NZ-OE2 2.7Å; K626-E680 PolarHBondContact NZ-OE2 3.04Å; Q627-E680 PolarHBondContact NE2-OE1 3.43Å; Q627-E680 PolarHBondContact OE1-OE1 3.19Å; Y676-E680 PolarHBondContact O-N 3.27Å; E677-E680 PolarHBondContact O-N 2.82Å; Y678-E680 VanDerWaalsContact C-N 3.31Å; Y678-E680 PolarHBondContact O-N 3.5Å; E680-I683 PolarHBondContact O-N 3.35Å; E680-Q684 PolarHBondContact O-N 2.85Å
681	M	92.2	Very high	88.6	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.9	-34.6	-175.5	-63.2	-64	103.8	0	0	113.6	W307 L308 E677 Y678 Q684 F685 E709	W307-M681 HydrophobicContact CH2-CB 3.6Å; W307-M681 HydrophobicContact CZ3-CB 3.51Å; W307-M681 HydrophobicContact CZ3-CG 4.14Å; L308-M681 HydrophobicContact CD1-CG 3.94Å; L308-M681 HydrophobicContact CD1-SD 3.51Å; L308-M681 VanDerWaalsContact CD1-SD 3.51Å; E677-M681 PolarHBondContact O-N 3.09Å; Y678-M681 PolarHBondContact O-N 3.19Å; M681-Q684 WeakPolarHBondContact O-CB 3.15Å; M681-Q684 PolarHBondContact O-N 2.84Å; M681-F685 WeakPolarHBondContact O-CB 3.23Å; M681-F685 PolarHBondContact O-N 2.92Å; M681-E709 HydrophobicContact CE-CG 3.79Å; M681-E709 VanDerWaalsContact CE-OE1 3.3Å; M681-E709 WeakPolarHBondContact CE-OE1 3.45Å; M681-E709 HydrophobicContact SD-CG 4.31Å
682	V	94.2	Very high	89.8	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-73.9	-32.8	175.9	173	0	0	0	0	111.3	W307 F563 Y678 G686 W735 I738 L739	W307-V682 HydrophobicContact CH2-CG2 4.1Å; W307-V682 HydrophobicContact CZ2-CG2 4.4Å; F563-V682 HydrophobicContact CD2-CG1 4.37Å; F563-V682 HydrophobicContact CE2-CG1 3.81Å; Y678-V682 VanDerWaalsContact O-CB 3.3Å; Y678-V682 WeakPolarHBondContact O-CB 3.42Å; Y678-V682 WeakPolarHBondContact O-CG2 3.48Å; Y678-V682 PolarHBondContact O-N 3.49Å; V682-G686 PolarHBondContact O-N 3.43Å; V682-W735 HydrophobicContact CB-CE3 4.17Å; V682-W735 HydrophobicContact CB-CZ3 4.14Å; V682-W735 HydrophobicContact CG1-CE3 4.07Å; V682-W735 HydrophobicContact CG1-CZ3 4.07Å; V682-W735 HydrophobicContact CG2-CD2 4.31Å; V682-W735 HydrophobicContact CG2-CE3 3.8Å; V682-W735 HydrophobicContact CG2-CZ3 4.24Å; V682-I738 HydrophobicContact CG1-CG2 3.67Å; V682-L739 HydrophobicContact CG1-CD2 4.26Å; V682-L739 HydrophobicContact CG2-CD2 4.15Å; V682-L739 HydrophobicContact CG2-CG 4.41Å
683	I	91.2	Very high	90.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-70.4	-37.2	169.6	-68.8	-67.5	0	0	0	110.8	F563 Y570 Y571 L679 E680 G686 F687	F563-I683 HydrophobicContact CE2-CD1 4.19Å; Y570-I683 HydrophobicContact CD2-CD1 3.96Å; Y570-I683 HydrophobicContact CD2-CG1 4.14Å; Y570-I683 HydrophobicContact CD2-CG2 4.02Å; Y570-I683 HydrophobicContact CE2-CG1 4.47Å; Y570-I683 HydrophobicContact CE2-CG2 4.5Å; Y570-I683 HydrophobicContact CG-CG2 4.19Å; Y571-I683 HydrophobicContact CE2-CD1 3.85Å; Y571-I683 VanDerWaalsContact OH-CA 3.27Å; Y571-I683 WeakPolarHBondContact OH-CA 3.15Å; Y571-I683 PolarHBondContact OH-O 2.85Å; L679-I683 HydrophobicContact CD1-CD1 4.46Å; L679-I683 HydrophobicContact CD1-CG1 3.87Å; L679-I683 HydrophobicContact CG-CG1 4.3Å; L679-I683 VanDerWaalsContact O-CB 3.28Å; L679-I683 WeakPolarHBondContact O-CB 3.41Å; L679-I683 WeakPolarHBondContact O-CG1 3.31Å; L679-I683 PolarHBondContact O-N 2.92Å; E680-I683 PolarHBondContact O-N 3.35Å; I683-G686 PolarHBondContact O-N 3.37Å; I683-F687 HydrophobicContact CG2-CD2 3.96Å; I683-F687 HydrophobicContact CG2-CE2 3.59Å; I683-F687 WeakPolarHBondContact O-CD2 3.37Å; I683-F687 PolarHBondContact O-N 3.28Å; I683-F687 VanDerWaalsContact O-N 3.1Å
684	Q	92.7	Very high	91.1	Very high	4 Å²	4	9.9 Å²	9.9	2%	0.019	4%	0.043	C	C	.	.	H	α-helix	trans	-60.9	-46.8	171.6	-159.4	-164	-80.8	0	0	111.2	M623 E680 M681 G686 F687 I688 N705 N706	M623-Q684 HydrophobicContact CE-CG 4.14Å; E680-Q684 PolarHBondContact O-N 2.85Å; M681-Q684 WeakPolarHBondContact O-CB 3.15Å; M681-Q684 PolarHBondContact O-N 2.84Å; Q684-G686 PolarHBondContact O-N 2.93Å; Q684-F687 PolarHBondContact O-N 2.93Å; Q684-I688 HydrophobicContact CG-CD1 4.02Å; Q684-I688 WeakPolarHBondContact O-CD1 3.34Å; Q684-I688 VanDerWaalsContact O-CG1 3.26Å; Q684-I688 WeakPolarHBondContact O-CG1 3.3Å; Q684-I688 PolarHBondContact O-N 2.87Å; Q684-I688 VanDerWaalsContact O-N 3.08Å; Q684-N705 PolarHBondContact OE1-ND2 2.84Å; Q684-N706 PolarHBondContact NE2-OD1 2.97Å; Q684-N706 PolarHBondContact OE1-OD1 2.81Å
685	F	94.1	Very high	91.2	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	5%	0.045	C	C	.	.	H	α-helix	trans	-56.6	-45.5	176.3	176.8	-96	0	0	0	112.1	Y311 W394 V395 F398 M681 I688 T689 L739 V742	Y311-F685 AromaticContact CE2-CD2 3.85Å; Y311-F685 HydrophobicContact CE2-CD2 3.85Å; Y311-F685 VanDerWaalsContact OH-CA 3.3Å; Y311-F685 WeakPolarHBondContact OH-CA 3.48Å; Y311-F685 PolarHBondContact OH-N 3.01Å; W394-F685 HydrophobicContact CH2-CE2 4.43Å; W394-F685 HydrophobicContact CZ3-CE2 4.15Å; V395-F685 HydrophobicContact CG1-CZ 4.27Å; V395-F685 HydrophobicContact CG2-CZ 4.39Å; F398-F685 AromaticContact CD1-CE2 3.61Å; F398-F685 HydrophobicContact CD1-CE2 3.61Å; F398-F685 HydrophobicContact CD1-CZ 4.08Å; F398-F685 HydrophobicContact CE1-CD2 4.1Å; F398-F685 AromaticContact CE1-CE2 3.52Å; F398-F685 HydrophobicContact CE1-CE2 3.52Å; F398-F685 HydrophobicContact CE1-CZ 4.08Å; M681-F685 WeakPolarHBondContact O-CB 3.23Å; M681-F685 PolarHBondContact O-N 2.92Å; F685-I688 PolarHBondContact O-N 3.46Å; F685-T689 HydrophobicContact CD1-CG2 4.32Å; F685-T689 HydrophobicContact CD2-CG2 4.14Å; F685-T689 HydrophobicContact CE1-CG2 4.02Å; F685-T689 HydrophobicContact CE2-CG2 3.82Å; F685-T689 HydrophobicContact CG-CG2 4.39Å; F685-T689 HydrophobicContact CZ-CG2 3.77Å; F685-T689 WeakPolarHBondContact O-CG2 3.46Å; F685-T689 PolarHBondContact O-N 2.92Å; F685-T689 PolarHBondContact O-OG1 3.37Å; F685-L739 HydrophobicContact CB-CD2 4.3Å; F685-L739 HydrophobicContact CD1-CD2 3.39Å; F685-L739 HydrophobicContact CD2-CD2 4.35Å; F685-L739 HydrophobicContact CE1-CD2 3.66Å; F685-L739 HydrophobicContact CG-CD2 3.77Å; F685-L739 HydrophobicContact CZ-CD2 4.25Å; F685-V742 HydrophobicContact CD1-CG1 4.01Å; F685-V742 HydrophobicContact CE1-CB 4.41Å; F685-V742 HydrophobicContact CE1-CG1 4.01Å
686	G	93.8	Very high	91.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-66.9	-34.7	178.1	0	0	0	0	0	113.5	Y571 V682 I683 Q684 T689 L690	Y571-G686 WeakPolarHBondContact OH-CA 3.47Å; V682-G686 PolarHBondContact O-N 3.43Å; I683-G686 PolarHBondContact O-N 3.37Å; Q684-G686 PolarHBondContact O-N 2.93Å; G686-T689 PolarHBondContact O-N 3.04Å; G686-L690 WeakPolarHBondContact O-CB 3.4Å; G686-L690 WeakPolarHBondContact O-CD1 3.46Å; G686-L690 WeakPolarHBondContact O-CG 3.32Å; G686-L690 PolarHBondContact O-N 3.04Å
687	F	90.7	Very high	91.6	Very high	9 Å²	9	7.5 Å²	7.5	4%	0.039	4%	0.036	C	C	.	.	H	α-helix	trans	-61.5	-44	170.3	-78.9	-60.6	0	0	0	112.2	Y571 L619 V622 I683 Q684 T689 F691	Y571-F687 AromaticContact CD1-CD1 3.88Å; Y571-F687 HydrophobicContact CD1-CD1 3.88Å; Y571-F687 AromaticContact CD1-CE1 3.62Å; Y571-F687 HydrophobicContact CD1-CE1 3.62Å; Y571-F687 HydrophobicContact CD1-CG 4.46Å; Y571-F687 AromaticContact CD1-CZ 3.98Å; Y571-F687 HydrophobicContact CD1-CZ 3.98Å; Y571-F687 AromaticContact CE1-CD1 3.68Å; Y571-F687 HydrophobicContact CE1-CD1 3.68Å; Y571-F687 AromaticContact CE1-CD2 3.97Å; Y571-F687 HydrophobicContact CE1-CD2 3.97Å; Y571-F687 AromaticContact CE1-CE1 3.73Å; Y571-F687 HydrophobicContact CE1-CE1 3.73Å; Y571-F687 HydrophobicContact CE1-CE2 4.01Å; Y571-F687 AromaticContact CE1-CG 3.79Å; Y571-F687 HydrophobicContact CE1-CG 3.79Å; Y571-F687 AromaticContact CE1-CZ 3.89Å; Y571-F687 HydrophobicContact CE1-CZ 3.89Å; L619-F687 HydrophobicContact CD2-CD1 3.64Å; L619-F687 HydrophobicContact CD2-CE1 4.08Å; V622-F687 HydrophobicContact CG1-CE1 4.11Å; V622-F687 HydrophobicContact CG1-CE2 4.16Å; V622-F687 HydrophobicContact CG1-CZ 3.52Å; I683-F687 HydrophobicContact CG2-CD2 3.96Å; I683-F687 HydrophobicContact CG2-CE2 3.59Å; I683-F687 WeakPolarHBondContact O-CD2 3.37Å; I683-F687 PolarHBondContact O-N 3.28Å; I683-F687 VanDerWaalsContact O-N 3.1Å; Q684-F687 PolarHBondContact O-N 2.93Å; F687-T689 VanDerWaalsContact C-N 3.33Å; F687-T689 PolarHBondContact O-N 3.25Å; F687-F691 HydrophobicContact CD1-CD2 4.45Å
688	I	92.6	Very high	91.6	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-69.7	-29.7	-178.7	-60.4	151.9	0	0	0	111.8	Y311 L315 M391 M623 Q684 F685 V692 P699 A702	Y311-I688 VanDerWaalsContact OH-CD1 3.24Å; Y311-I688 WeakPolarHBondContact OH-CD1 3.47Å; L315-I688 HydrophobicContact CD2-CD1 4.32Å; L315-I688 HydrophobicContact CD2-CG2 4.42Å; M391-I688 HydrophobicContact CE-CG2 4.21Å; M623-I688 HydrophobicContact CE-CD1 4.19Å; M623-I688 HydrophobicContact CE-CG1 3.8Å; Q684-I688 HydrophobicContact CG-CD1 4.02Å; Q684-I688 WeakPolarHBondContact O-CD1 3.34Å; Q684-I688 VanDerWaalsContact O-CG1 3.26Å; Q684-I688 WeakPolarHBondContact O-CG1 3.3Å; Q684-I688 PolarHBondContact O-N 2.87Å; Q684-I688 VanDerWaalsContact O-N 3.08Å; F685-I688 PolarHBondContact O-N 3.46Å; I688-V692 WeakPolarHBondContact O-CB 3.45Å; I688-V692 WeakPolarHBondContact O-CG2 3.29Å; I688-P699 HydrophobicContact CG2-CB 4.4Å; I688-P699 HydrophobicContact CG2-CG 3.97Å; I688-A702 HydrophobicContact CD1-CB 3.25Å; I688-A702 HydrophobicContact CG1-CB 3.91Å
689	T	93.9	Very high	91.7	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.018	3%	0.033	C	C	.	.	H	α-helix	trans	-97.7	-45	-176.4	58.3	0	0	0	0	113.4	W394 V395 F685 G686 F687 F691 S746 N750	W394-T689 HydrophobicContact CZ3-CG2 4.38Å; V395-T689 HydrophobicContact CG2-CG2 3.4Å; V395-T689 VanDerWaalsContact CG2-CG2 3.4Å; F685-T689 HydrophobicContact CD1-CG2 4.32Å; F685-T689 HydrophobicContact CD2-CG2 4.14Å; F685-T689 HydrophobicContact CE1-CG2 4.02Å; F685-T689 HydrophobicContact CE2-CG2 3.82Å; F685-T689 HydrophobicContact CG-CG2 4.39Å; F685-T689 HydrophobicContact CZ-CG2 3.77Å; F685-T689 WeakPolarHBondContact O-CG2 3.46Å; F685-T689 PolarHBondContact O-N 2.92Å; F685-T689 PolarHBondContact O-OG1 3.37Å; G686-T689 PolarHBondContact O-N 3.04Å; F687-T689 VanDerWaalsContact C-N 3.33Å; F687-T689 PolarHBondContact O-N 3.25Å; T689-F691 PolarHBondContact O-N 3.1Å; T689-S746 WeakPolarHBondContact O-CB 3.49Å; T689-N750 PolarHBondContact O-ND2 3.19Å
690	L	93.9	Very high	91.8	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-66.2	-37.1	-175.8	-64.9	167.5	0	0	0	112.9	F567 Y571 F575 G686 V742 L745 T749 N750	F567-L690 HydrophobicContact CE2-CD1 4Å; F567-L690 HydrophobicContact CZ-CD1 4.15Å; Y571-L690 HydrophobicContact CD1-CD1 4.13Å; Y571-L690 HydrophobicContact CD2-CD1 4.04Å; Y571-L690 HydrophobicContact CE1-CD1 4.12Å; Y571-L690 HydrophobicContact CE2-CD1 4.06Å; Y571-L690 HydrophobicContact CG-CD1 4.07Å; F575-L690 HydrophobicContact CZ-CD1 4.23Å; G686-L690 WeakPolarHBondContact O-CB 3.4Å; G686-L690 WeakPolarHBondContact O-CD1 3.46Å; G686-L690 WeakPolarHBondContact O-CG 3.32Å; G686-L690 PolarHBondContact O-N 3.04Å; L690-V742 HydrophobicContact CD2-CG1 4.45Å; L690-V742 HydrophobicContact CG-CG1 4.36Å; L690-L745 HydrophobicContact CD2-CB 4.1Å; L690-L745 HydrophobicContact CD2-CD2 4.07Å; L690-L745 HydrophobicContact CD2-CG 3.79Å; L690-T749 HydrophobicContact CB-CG2 4.34Å; L690-T749 WeakPolarHBondContact O-CB 3.48Å; L690-T749 WeakPolarHBondContact O-CG2 3.26Å; L690-N750 PolarHBondContact O-OD1 3.29Å
691	F	92.6	Very high	92	Very high	3 Å²	3	9.7 Å²	9.7	1%	0.013	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	13.7	-169.4	-56.4	-82.5	0	0	0	114.2	Y571 C574 F575 L615 L619 F687 T689 A693 S694 T749 I753	Y571-F691 AromaticContact CD1-CE2 3.84Å; Y571-F691 HydrophobicContact CD1-CE2 3.84Å; Y571-F691 HydrophobicContact CG-CE2 4.39Å; C574-F691 HydrophobicContact CB-CD1 4.31Å; C574-F691 HydrophobicContact CB-CE1 3.7Å; C574-F691 HydrophobicContact CB-CE2 4.08Å; C574-F691 HydrophobicContact CB-CZ 3.58Å; F575-F691 AromaticContact CD1-CE1 3.93Å; F575-F691 HydrophobicContact CD1-CE1 3.93Å; F575-F691 AromaticContact CD1-CZ 3.79Å; F575-F691 HydrophobicContact CD1-CZ 3.79Å; F575-F691 HydrophobicContact CD2-CZ 4.46Å; F575-F691 HydrophobicContact CE1-CE1 4.13Å; F575-F691 AromaticContact CE1-CZ 3.75Å; F575-F691 HydrophobicContact CE1-CZ 3.75Å; F575-F691 HydrophobicContact CE2-CZ 4.42Å; F575-F691 HydrophobicContact CG-CZ 4.16Å; F575-F691 HydrophobicContact CZ-CZ 4.07Å; L615-F691 HydrophobicContact CD1-CD1 4.19Å; L615-F691 HydrophobicContact CD2-CD1 4.44Å; L619-F691 HydrophobicContact CD1-CB 3.52Å; L619-F691 HydrophobicContact CD1-CG 4.09Å; L619-F691 HydrophobicContact CD2-CB 4.04Å; L619-F691 HydrophobicContact CD2-CD2 3.91Å; L619-F691 HydrophobicContact CD2-CG 3.97Å; L619-F691 HydrophobicContact CG-CB 4.45Å; F687-F691 HydrophobicContact CD1-CD2 4.45Å; T689-F691 PolarHBondContact O-N 3.1Å; F691-A693 PolarHBondContact O-N 2.95Å; F691-A693 VanDerWaalsContact O-N 3.13Å; F691-S694 PolarHBondContact O-N 3.41Å; F691-S694 PolarHBondContact O-OG 2.81Å; F691-T749 HydrophobicContact CE1-CG2 4.47Å; F691-I753 HydrophobicContact CB-CD1 4.42Å; F691-I753 HydrophobicContact CD1-CD1 3.84Å
692	V	91.4	Very high	92	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.006	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-58.3	-33	-169.9	91.6	0	0	0	0	113.8	F387 M391 I688 S694 F695 N750	F387-V692 HydrophobicContact CD1-CG2 4.48Å; F387-V692 HydrophobicContact CE1-CG2 3.76Å; F387-V692 HydrophobicContact CZ-CG2 4.47Å; M391-V692 HydrophobicContact CB-CG1 3.76Å; M391-V692 HydrophobicContact CE-CG2 4.22Å; M391-V692 HydrophobicContact CG-CG1 3.92Å; M391-V692 HydrophobicContact CG-CG2 3.93Å; I688-V692 WeakPolarHBondContact O-CB 3.45Å; I688-V692 WeakPolarHBondContact O-CG2 3.29Å; V692-S694 PolarHBondContact O-N 2.95Å; V692-S694 VanDerWaalsContact O-N 3.11Å; V692-F695 CarbonylContact O-C 3.52Å; V692-F695 PolarHBondContact O-N 3.25Å; V692-F695 VanDerWaalsContact O-N 3.12Å; V692-N750 PolarHBondContact N-OD1 3.38Å
693	A	88.7	Confident	92	Very high	1 Å²	1	11 Å²	11	1%	0.008	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-58.7	-19.6	176.5	0	0	0	0	0	114.4	A388 F691 N750 I753 M754	A388-A693 HydrophobicContact CB-CB 4.23Å; F691-A693 PolarHBondContact O-N 2.95Å; F691-A693 VanDerWaalsContact O-N 3.13Å; A693-N750 HydrophobicContact CB-CB 4.19Å; A693-N750 VanDerWaalsContact CB-OD1 3.26Å; A693-N750 WeakPolarHBondContact CB-OD1 3.04Å; A693-N750 PolarHBondContact N-OD1 3.06Å; A693-I753 HydrophobicContact CB-CB 4.33Å; A693-I753 HydrophobicContact CB-CG2 3.86Å; A693-M754 HydrophobicContact CB-CG 3.9Å; A693-M754 HydrophobicContact CB-SD 3.77Å
694	S	88.2	Confident	92.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-94.1	-20.3	176.8	68.1	0	0	0	0	114.7	T616 L619 F691 V692	T616-S694 PolarHBondContact OG1-O 3.3Å; L619-S694 VanDerWaalsContact CD1-OG 3.28Å; L619-S694 WeakPolarHBondContact CD1-OG 3.34Å; F691-S694 PolarHBondContact O-N 3.41Å; F691-S694 PolarHBondContact O-OG 2.81Å; V692-S694 PolarHBondContact O-N 2.95Å; V692-S694 VanDerWaalsContact O-N 3.11Å
695	F	88.7	Confident	92	Very high	21 Å²	21	18 Å²	18	9%	0.092	9%	0.09	C	C	.	.			trans	-149.9	87.7	-173.9	-172.8	-127.2	0	0	0	112.6	F379 T616 V620 V692 L697 A698 L701	F379-F695 HydrophobicContact CD1-CD2 4.25Å; F379-F695 AromaticContact CE1-CD2 3.85Å; F379-F695 HydrophobicContact CE1-CD2 3.85Å; F379-F695 AromaticContact CE1-CE2 3.96Å; F379-F695 HydrophobicContact CE1-CE2 3.96Å; F379-F695 HydrophobicContact CZ-CD2 4.48Å; F379-F695 HydrophobicContact CZ-CE2 4.4Å; T616-F695 HydrophobicContact CG2-CB 4.03Å; T616-F695 HydrophobicContact CG2-CD2 3.57Å; T616-F695 HydrophobicContact CG2-CE2 4.32Å; T616-F695 HydrophobicContact CG2-CG 3.97Å; V620-F695 HydrophobicContact CG2-CD1 4Å; V620-F695 HydrophobicContact CG2-CD2 4.49Å; V620-F695 HydrophobicContact CG2-CE1 3.58Å; V620-F695 HydrophobicContact CG2-CE2 4.1Å; V620-F695 HydrophobicContact CG2-CG 4.45Å; V620-F695 HydrophobicContact CG2-CZ 3.63Å; V692-F695 CarbonylContact O-C 3.52Å; V692-F695 PolarHBondContact O-N 3.25Å; V692-F695 VanDerWaalsContact O-N 3.12Å; F695-L697 HydrophobicContact CE1-CB 4.13Å; F695-L697 HydrophobicContact CE2-CB 3.88Å; F695-L697 HydrophobicContact CE2-CD1 4.46Å; F695-L697 HydrophobicContact CZ-CB 3.65Å; F695-L697 PolarHBondContact O-N 2.95Å; F695-A698 HydrophobicContact CD1-CB 3.8Å; F695-A698 HydrophobicContact CE1-CB 4.41Å; F695-A698 WeakPolarHBondContact O-CB 3.2Å; F695-A698 PolarHBondContact O-N 3.34Å; F695-L701 HydrophobicContact CE1-CD1 3.8Å; F695-L701 HydrophobicContact CE1-CG 4.45Å; F695-L701 HydrophobicContact CZ-CD1 4.24Å
696	P	90.4	Very high	92	Very high	1 Å²	1	18 Å²	18	1%	0.006	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.1	-177.1	-27.9	36.3	0	0	0	115.8	G322 C325 T384 F387 P699	G322-P696 VanDerWaalsContact CA-O 3.23Å; G322-P696 WeakPolarHBondContact CA-O 3.3Å; C325-P696 HydrophobicContact CB-CB 4.33Å; T384-P696 HydrophobicContact CG2-CG 3.52Å; F387-P696 HydrophobicContact CD1-CB 3.91Å; F387-P696 HydrophobicContact CD1-CG 4.36Å; F387-P696 HydrophobicContact CE1-CB 3.98Å; P696-P699 WeakPolarHBondContact O-CD 3.24Å
697	L	90.9	Very high	91.9	Very high	36 Å²	36	20.6 Å²	20.6	19%	0.188	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	0.1	178.3	-63	176.8	0	0	0	113.9	V323 F326 F695 P699 V700 L701	V323-L697 HydrophobicContact CG2-CD2 4.11Å; F326-L697 HydrophobicContact CB-CD1 4.41Å; F326-L697 HydrophobicContact CB-CD2 3.74Å; F326-L697 HydrophobicContact CB-CG 3.99Å; F326-L697 HydrophobicContact CD1-CD1 3.91Å; F326-L697 HydrophobicContact CD1-CD2 4.22Å; F326-L697 HydrophobicContact CD1-CG 4.38Å; F326-L697 HydrophobicContact CD2-CD1 3.71Å; F326-L697 HydrophobicContact CD2-CG 3.98Å; F326-L697 HydrophobicContact CE1-CD1 4.05Å; F326-L697 HydrophobicContact CE2-CD1 3.86Å; F326-L697 HydrophobicContact CG-CD1 3.73Å; F326-L697 HydrophobicContact CG-CD2 3.92Å; F326-L697 HydrophobicContact CG-CG 3.86Å; F326-L697 HydrophobicContact CZ-CD1 4.02Å; F695-L697 HydrophobicContact CE1-CB 4.13Å; F695-L697 HydrophobicContact CE2-CB 3.88Å; F695-L697 HydrophobicContact CE2-CD1 4.46Å; F695-L697 HydrophobicContact CZ-CB 3.65Å; F695-L697 PolarHBondContact O-N 2.95Å; L697-P699 VanDerWaalsContact C-CD 3.45Å; L697-P699 VanDerWaalsContact C-N 3.35Å; L697-V700 HydrophobicContact CB-CG2 4.49Å; L697-V700 HydrophobicContact CD2-CG2 3.98Å; L697-V700 WeakPolarHBondContact O-CB 3.43Å; L697-V700 PolarHBondContact O-N 2.92Å; L697-L701 PolarHBondContact O-N 2.9Å
698	A	91.6	Very high	91.9	Very high	6 Å²	6	23.4 Å²	23.4	5%	0.05	12%	0.119	C	C	.	.	H	α-helix	trans	-52.2	-43.5	176.9	0	0	0	0	0	113.6	F695 V700 L701 A702	F695-A698 HydrophobicContact CD1-CB 3.8Å; F695-A698 HydrophobicContact CE1-CB 4.41Å; F695-A698 WeakPolarHBondContact O-CB 3.2Å; F695-A698 PolarHBondContact O-N 3.34Å; A698-V700 PolarHBondContact O-N 3.47Å; A698-L701 PolarHBondContact O-N 2.98Å; A698-A702 WeakPolarHBondContact O-CB 3.15Å; A698-A702 PolarHBondContact O-N 3.04Å
699	P	94.4	Very high	91.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.7	-22.7	177.9	-18.9	33	0	0	0	113.7	L315 A318 A319 F387 I688 P696 L697 L703	L315-P699 HydrophobicContact CD2-CB 3.87Å; A318-P699 HydrophobicContact CB-CB 3.85Å; A318-P699 HydrophobicContact CB-CG 4.08Å; A319-P699 HydrophobicContact CB-CB 4.29Å; F387-P699 HydrophobicContact CZ-CG 4.18Å; I688-P699 HydrophobicContact CG2-CB 4.4Å; I688-P699 HydrophobicContact CG2-CG 3.97Å; P696-P699 WeakPolarHBondContact O-CD 3.24Å; L697-P699 VanDerWaalsContact C-CD 3.45Å; L697-P699 VanDerWaalsContact C-N 3.35Å; P699-L703 VanDerWaalsContact O-CB 3.24Å; P699-L703 WeakPolarHBondContact O-CB 3.32Å; P699-L703 PolarHBondContact O-N 3.22Å
700	V	93.8	Very high	91.8	Very high	48 Å²	48	24 Å²	24	29%	0.291	12%	0.121	S	C	.	.	H	α-helix	trans	-72.2	-45	177.3	-171.9	0	0	0	0	110.5	A319 V323 L697 A698 A702 L703 F704	A319-V700 HydrophobicContact CB-CG2 4.06Å; V323-V700 HydrophobicContact CG2-CG2 3.69Å; L697-V700 HydrophobicContact CB-CG2 4.49Å; L697-V700 HydrophobicContact CD2-CG2 3.98Å; L697-V700 WeakPolarHBondContact O-CB 3.43Å; L697-V700 PolarHBondContact O-N 2.92Å; A698-V700 PolarHBondContact O-N 3.47Å; V700-A702 VanDerWaalsContact C-N 3.32Å; V700-L703 PolarHBondContact O-N 3.42Å; V700-F704 PolarHBondContact O-N 3.28Å; V700-F704 VanDerWaalsContact O-N 3.11Å
701	L	91.6	Very high	91.7	Very high	69 Å²	69	24.4 Å²	24.4	36%	0.361	12%	0.123	S	C	.	.	H	α-helix	trans	-64.1	-40.2	174.6	-58	-173.3	0	0	0	111.1	M623 F695 L697 A698 N705	M623-L701 HydrophobicContact CE-CB 4.35Å; F695-L701 HydrophobicContact CE1-CD1 3.8Å; F695-L701 HydrophobicContact CE1-CG 4.45Å; F695-L701 HydrophobicContact CZ-CD1 4.24Å; L697-L701 PolarHBondContact O-N 2.9Å; A698-L701 PolarHBondContact O-N 2.98Å; L701-N705 PolarHBondContact O-N 2.79Å
702	A	92.8	Very high	91.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.6	-48.2	174.6	0	0	0	0	0	113.1	L315 M623 I688 A698 V700 F704 N705 N706	L315-A702 HydrophobicContact CD1-CB 3.93Å; L315-A702 HydrophobicContact CD2-CB 3.99Å; M623-A702 HydrophobicContact CE-CB 3.81Å; I688-A702 HydrophobicContact CD1-CB 3.25Å; I688-A702 HydrophobicContact CG1-CB 3.91Å; A698-A702 WeakPolarHBondContact O-CB 3.15Å; A698-A702 PolarHBondContact O-N 3.04Å; V700-A702 VanDerWaalsContact C-N 3.32Å; A702-F704 PolarHBondContact O-N 2.95Å; A702-N705 PolarHBondContact O-N 3.23Å; A702-N706 PolarHBondContact O-N 2.75Å; A702-N706 PolarHBondContact O-OD1 2.55Å; A702-N706 VanDerWaalsContact O-OD1 3.1Å
703	L	94.3	Very high	91.7	Very high	28 Å²	28	24.8 Å²	24.8	15%	0.147	13%	0.125	C	C	.	.	H	α-helix	trans	-60.6	-46.7	179.4	179.4	68.7	0	0	0	111.1	T312 L315 F316 A319 P699 V700 N705 N706 I707	T312-L703 HydrophobicContact CG2-CD1 3.88Å; T312-L703 WeakPolarHBondContact O-CD1 3.22Å; L315-L703 HydrophobicContact CB-CD1 4.23Å; F316-L703 HydrophobicContact CB-CD1 4.38Å; F316-L703 HydrophobicContact CD2-CD2 4.11Å; A319-L703 HydrophobicContact CB-CB 4.48Å; A319-L703 HydrophobicContact CB-CD2 3.92Å; P699-L703 VanDerWaalsContact O-CB 3.24Å; P699-L703 WeakPolarHBondContact O-CB 3.32Å; P699-L703 PolarHBondContact O-N 3.22Å; V700-L703 PolarHBondContact O-N 3.42Å; L703-N705 VanDerWaalsContact C-N 3.31Å; L703-N705 PolarHBondContact O-N 2.93Å; L703-N706 PolarHBondContact O-N 2.96Å; L703-I707 HydrophobicContact CD1-CD1 4.15Å; L703-I707 HydrophobicContact CG-CD1 4.01Å; L703-I707 WeakPolarHBondContact O-CD1 3.33Å; L703-I707 VanDerWaalsContact O-CG1 3.25Å; L703-I707 WeakPolarHBondContact O-CG1 3.07Å; L703-I707 PolarHBondContact O-N 3.46Å
704	F	92.1	Very high	91.9	Very high	140 Å²	140	24.7 Å²	24.7	61%	0.614	13%	0.125	S	C	*	.	H	α-helix	trans	-61.1	-40.2	175.7	-179.6	-101.5	0	0	0	111.9	V700 A702 L708	V700-F704 PolarHBondContact O-N 3.28Å; V700-F704 VanDerWaalsContact O-N 3.11Å; A702-F704 PolarHBondContact O-N 2.95Å; F704-L708 HydrophobicContact CD1-CD1 4.25Å; F704-L708 HydrophobicContact CE1-CD1 3.59Å; F704-L708 HydrophobicContact CE1-CG 4.44Å; F704-L708 HydrophobicContact CZ-CD1 3.83Å; F704-L708 HydrophobicContact CZ-CG 4.4Å; F704-L708 PolarHBondContact O-N 2.83Å
705	N	91.7	Very high	92.1	Very high	10 Å²	10	26.1 Å²	26.1	5%	0.053	13%	0.13	C	C	.	.	H	α-helix	trans	-61.4	-57.2	174.2	-178.1	54.8	0	0	0	112.1	Q627 N631 Q684 L701 A702 L703 I707 L708 E709	Q627-N705 VanDerWaalsContact CD-CG 3.43Å; Q627-N705 HydrophobicContact CG-CB 3.93Å; Q627-N705 WeakPolarHBondContact CG-ND2 3.47Å; Q627-N705 WeakPolarHBondContact CG-OD1 3.48Å; Q627-N705 PolarHBondContact NE2-ND2 3.02Å; Q627-N705 VanDerWaalsContact NE2-ND2 3.1Å; N631-N705 PolarHBondContact ND2-OD1 2.92Å; N631-N705 PolarHBondContact OD1-OD1 3.49Å; Q684-N705 PolarHBondContact OE1-ND2 2.84Å; L701-N705 PolarHBondContact O-N 2.79Å; A702-N705 PolarHBondContact O-N 3.23Å; L703-N705 VanDerWaalsContact C-N 3.31Å; L703-N705 PolarHBondContact O-N 2.93Å; N705-I707 PolarHBondContact O-N 2.85Å; N705-I707 VanDerWaalsContact O-N 3.11Å; N705-L708 CarbonylContact O-C 3.49Å; N705-L708 WeakPolarHBondContact O-CA 3.42Å; N705-L708 WeakPolarHBondContact O-CB 3.06Å; N705-L708 PolarHBondContact O-N 3.09Å; N705-E709 PolarHBondContact O-N 3.41Å
706	N	93.1	Very high	92.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-55.9	-36	-174.3	-73.3	28.8	0	0	0	112.6	L308 Y311 T312 Q684 A702 L703 L708 E709 I710	L308-N706 HydrophobicContact CD1-CB 4.49Å; Y311-N706 VanDerWaalsContact CD1-ND2 3.29Å; Y311-N706 WeakPolarHBondContact CD1-ND2 3.39Å; Y311-N706 WeakPolarHBondContact CE1-ND2 3.42Å; T312-N706 HydrophobicContact CG2-CB 3.82Å; T312-N706 WeakPolarHBondContact OG1-CB 3.23Å; T312-N706 PolarHBondContact OG1-ND2 3.38Å; T312-N706 VanDerWaalsContact OG1-ND2 3.09Å; Q684-N706 PolarHBondContact NE2-OD1 2.97Å; Q684-N706 PolarHBondContact OE1-OD1 2.81Å; A702-N706 PolarHBondContact O-N 2.75Å; A702-N706 PolarHBondContact O-OD1 2.55Å; A702-N706 VanDerWaalsContact O-OD1 3.1Å; L703-N706 PolarHBondContact O-N 2.96Å; N706-L708 VanDerWaalsContact C-N 3.31Å; N706-L708 PolarHBondContact O-N 2.91Å; N706-E709 PolarHBondContact O-N 3.39Å; N706-I710 VanDerWaalsContact O-CG1 3.27Å; N706-I710 WeakPolarHBondContact O-CG1 3.49Å; N706-I710 PolarHBondContact O-N 2.63Å
707	I	92.7	Very high	92.3	Very high	55 Å²	55	25.3 Å²	25.3	28%	0.282	13%	0.127	S	C	.	.	H	α-helix	trans	-62.8	-36.6	176.3	-69.4	167.3	0	0	0	111.7	F284 T312 L703 N705 R711	F284-I707 HydrophobicContact CB-CG2 4.05Å; F284-I707 HydrophobicContact CD2-CG2 3.93Å; F284-I707 HydrophobicContact CG-CG2 4.38Å; T312-I707 HydrophobicContact CG2-CG1 3.94Å; L703-I707 HydrophobicContact CD1-CD1 4.15Å; L703-I707 HydrophobicContact CG-CD1 4.01Å; L703-I707 WeakPolarHBondContact O-CD1 3.33Å; L703-I707 VanDerWaalsContact O-CG1 3.25Å; L703-I707 WeakPolarHBondContact O-CG1 3.07Å; L703-I707 PolarHBondContact O-N 3.46Å; N705-I707 PolarHBondContact O-N 2.85Å; N705-I707 VanDerWaalsContact O-N 3.11Å; I707-R711 WeakPolarHBondContact O-CG 3.33Å
708	L	90.9	Very high	92.4	Very high	68 Å²	68	23.6 Å²	23.6	36%	0.356	12%	0.118	S	C	.	.	H	α-helix	trans	-73.1	-46.6	169.9	-64.8	178	0	0	0	111.2	F704 N705 N706 I710 R711 V712	F704-L708 HydrophobicContact CD1-CD1 4.25Å; F704-L708 HydrophobicContact CE1-CD1 3.59Å; F704-L708 HydrophobicContact CE1-CG 4.44Å; F704-L708 HydrophobicContact CZ-CD1 3.83Å; F704-L708 HydrophobicContact CZ-CG 4.4Å; F704-L708 PolarHBondContact O-N 2.83Å; N705-L708 CarbonylContact O-C 3.49Å; N705-L708 WeakPolarHBondContact O-CA 3.42Å; N705-L708 WeakPolarHBondContact O-CB 3.06Å; N705-L708 PolarHBondContact O-N 3.09Å; N706-L708 VanDerWaalsContact C-N 3.31Å; N706-L708 PolarHBondContact O-N 2.91Å; L708-I710 PolarHBondContact O-N 3.47Å; L708-R711 CarbonylContact O-C 3.56Å; L708-R711 WeakPolarHBondContact O-CA 3.5Å; L708-R711 WeakPolarHBondContact O-CB 3.47Å; L708-R711 PolarHBondContact O-N 3.39Å; L708-V712 WeakPolarHBondContact O-CG2 3.09Å; L708-V712 PolarHBondContact O-N 2.9Å
709	E	91.8	Very high	92.3	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.028	12%	0.116	C	C	.	.	H	α-helix	trans	-59.4	-47.3	-172.4	-160	80.7	130.7	0	0	112.1	Q627 N631 M681 N705 N706 R711 V712 D713	Q627-E709 PolarHBondContact NE2-OE1 2.93Å; N631-E709 PolarHBondContact ND2-OE2 3.13Å; N631-E709 PolarHBondContact OD1-OE2 2.62Å; M681-E709 HydrophobicContact CE-CG 3.79Å; M681-E709 VanDerWaalsContact CE-OE1 3.3Å; M681-E709 WeakPolarHBondContact CE-OE1 3.45Å; M681-E709 HydrophobicContact SD-CG 4.31Å; N705-E709 PolarHBondContact O-N 3.41Å; N706-E709 PolarHBondContact O-N 3.39Å; E709-R711 PolarHBondContact O-N 2.72Å; E709-V712 PolarHBondContact O-N 3.37Å; E709-V712 VanDerWaalsContact O-N 3.11Å; E709-D713 WeakPolarHBondContact O-CB 3.26Å; E709-D713 PolarHBondContact O-N 2.9Å
710	I	92.6	Very high	92.1	Very high	10 Å²	10	24 Å²	24	5%	0.051	12%	0.119	C	C	.	.	H	α-helix	trans	-50.1	-35.1	173.6	-71.7	166.2	0	0	0	111.4	Q288 L308 T312 N706 L708 A714	Q288-I710 HydrophobicContact CG-CG2 4.4Å; L308-I710 HydrophobicContact CD2-CG1 3.56Å; L308-I710 HydrophobicContact CG-CD1 4.18Å; L308-I710 HydrophobicContact CG-CG1 3.6Å; T312-I710 HydrophobicContact CG2-CD1 4.43Å; N706-I710 VanDerWaalsContact O-CG1 3.27Å; N706-I710 WeakPolarHBondContact O-CG1 3.49Å; N706-I710 PolarHBondContact O-N 2.63Å; L708-I710 PolarHBondContact O-N 3.47Å; I710-A714 WeakPolarHBondContact O-CB 3.32Å; I710-A714 PolarHBondContact O-N 2.88Å; I710-A714 VanDerWaalsContact O-N 3.09Å
711	R	92.1	Very high	92	Very high	10 Å²	10	23.3 Å²	23.3	4%	0.038	11%	0.112	C	C	.	.	H	α-helix	trans	-90.1	-34.3	-177.9	-50.6	-56.8	166.6	162.9	3.3	112.8	W278 F281 C283 F284 K286 I707 L708 E709 W715	W278-R711 WeakPolarHBondContact O-CD 3.46Å; W278-R711 PolarHBondContact O-NH1 3.01Å; F281-R711 HydrophobicContact CD1-CB 3.81Å; F281-R711 HydrophobicContact CE1-CB 4.09Å; C283-R711 VanDerWaalsContact O-CZ 3.3Å; C283-R711 PolarHBondContact O-NH1 2.84Å; C283-R711 PolarHBondContact O-NH2 3.15Å; F284-R711 HydrophobicContact CB-CG 4.41Å; F284-R711 PolarHBondContact O-NH2 2.92Å; K286-R711 PolarHBondContact O-NH2 3.36Å; I707-R711 WeakPolarHBondContact O-CG 3.33Å; L708-R711 CarbonylContact O-C 3.56Å; L708-R711 WeakPolarHBondContact O-CA 3.5Å; L708-R711 WeakPolarHBondContact O-CB 3.47Å; L708-R711 PolarHBondContact O-N 3.39Å; E709-R711 PolarHBondContact O-N 2.72Å; R711-W715 WeakPolarHBondContact O-CB 3.21Å; R711-W715 PolarHBondContact O-N 3.18Å
712	V	92	Very high	91.9	Very high	10 Å²	10	21.2 Å²	21.2	6%	0.061	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-50.5	169.2	174.7	0	0	0	0	109.2	F281 E634 L708 E709 W715 K716	F281-V712 HydrophobicContact CE1-CG2 3.88Å; F281-V712 HydrophobicContact CZ-CG2 4.41Å; E634-V712 HydrophobicContact CB-CG1 4.28Å; L708-V712 WeakPolarHBondContact O-CG2 3.09Å; L708-V712 PolarHBondContact O-N 2.9Å; E709-V712 PolarHBondContact O-N 3.37Å; E709-V712 VanDerWaalsContact O-N 3.11Å; V712-W715 PolarHBondContact O-N 3.36Å; V712-K716 WeakPolarHBondContact O-CB 3.21Å; V712-K716 PolarHBondContact O-N 2.95Å
713	D	91.8	Very high	91.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-54.7	176.8	-84.8	-22	0	0	0	112.5	Y304 F305 E709 W715 K716 F717	Y304-D713 VanDerWaalsContact CE1-OD2 3.22Å; Y304-D713 WeakPolarHBondContact CE1-OD2 3.28Å; Y304-D713 VanDerWaalsContact CZ-OD2 3.31Å; Y304-D713 PolarHBondContact OH-OD2 3.37Å; F305-D713 HydrophobicContact CE1-CB 3.55Å; F305-D713 HydrophobicContact CZ-CB 3.71Å; E709-D713 WeakPolarHBondContact O-CB 3.26Å; E709-D713 PolarHBondContact O-N 2.9Å; D713-W715 PolarHBondContact O-N 3.46Å; D713-K716 WeakPolarHBondContact O-CB 3.28Å; D713-K716 PolarHBondContact O-N 3.2Å; D713-K716 WeakPolarHBondContact OD1-CE 3.31Å; D713-K716 IonicContact OD1-NZ 2.75Å; D713-K716 PolarHBondContact OD1-NZ 3.27Å; D713-F717 WeakPolarHBondContact O-CD2 2.97Å; D713-F717 PolarHBondContact O-N 3.3Å
714	A	93.4	Very high	91.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-52.9	-42.1	178.6	0	0	0	0	0	111.3	W278 A279 I710 T718	W278-A714 HydrophobicContact CD2-CB 3.59Å; W278-A714 VanDerWaalsContact CE2-CB 3.44Å; W278-A714 HydrophobicContact CE3-CB 3.73Å; W278-A714 HydrophobicContact CG-CB 4.34Å; W278-A714 HydrophobicContact CH2-CB 3.65Å; W278-A714 HydrophobicContact CZ2-CB 3.49Å; W278-A714 VanDerWaalsContact CZ2-CB 3.49Å; W278-A714 HydrophobicContact CZ3-CB 3.76Å; A279-A714 VanDerWaalsContact CB-C 3.45Å; A279-A714 HydrophobicContact CB-CB 3.69Å; A279-A714 WeakPolarHBondContact CB-O 3.46Å; I710-A714 WeakPolarHBondContact O-CB 3.32Å; I710-A714 PolarHBondContact O-N 2.88Å; I710-A714 VanDerWaalsContact O-N 3.09Å; A714-T718 WeakPolarHBondContact O-CB 3.46Å; A714-T718 PolarHBondContact O-N 2.9Å; A714-T718 PolarHBondContact O-OG1 3.22Å
715	W	92.5	Very high	91.6	Very high	30 Å²	30	16.2 Å²	16.2	11%	0.114	8%	0.08	C	C	.	.	H	α-helix	trans	-71.6	-39.7	177.1	170.8	92.3	0	0	0	113	F281 A635 L639 R711 V712 D713 T718 T719 Q720	F281-W715 HydrophobicContact CE2-CB 4.41Å; F281-W715 HydrophobicContact CE2-CD2 4.47Å; F281-W715 HydrophobicContact CE2-CG 4.12Å; F281-W715 HydrophobicContact CZ-CB 4.27Å; F281-W715 HydrophobicContact CZ-CD2 4.45Å; F281-W715 HydrophobicContact CZ-CG 4.26Å; A635-W715 HydrophobicContact CB-CZ3 4.34Å; L639-W715 HydrophobicContact CD1-CH2 3.65Å; L639-W715 HydrophobicContact CD1-CZ2 3.91Å; L639-W715 HydrophobicContact CD2-CH2 4.25Å; L639-W715 HydrophobicContact CD2-CZ2 4.11Å; L639-W715 HydrophobicContact CG-CH2 3.69Å; L639-W715 HydrophobicContact CG-CZ2 4.03Å; R711-W715 WeakPolarHBondContact O-CB 3.21Å; R711-W715 PolarHBondContact O-N 3.18Å; V712-W715 PolarHBondContact O-N 3.36Å; D713-W715 PolarHBondContact O-N 3.46Å; W715-T718 PolarHBondContact O-N 2.59Å; W715-T719 HydrophobicContact CG-CG2 4.42Å; W715-T719 PolarHBondContact NE1-OG1 3.47Å; W715-T719 WeakPolarHBondContact O-CB 3.33Å; W715-T719 WeakPolarHBondContact O-CG2 3.26Å; W715-T719 PolarHBondContact O-N 3.48Å; W715-T719 PolarHBondContact O-OG1 3.34Å; W715-Q720 HydrophobicContact CE3-CG 4.45Å; W715-Q720 HydrophobicContact CH2-CG 3.81Å; W715-Q720 HydrophobicContact CZ2-CG 4.19Å; W715-Q720 HydrophobicContact CZ3-CG 3.92Å
716	K	91.3	Very high	91.5	Very high	4 Å²	4	16 Å²	16	2%	0.017	8%	0.08	C	C	.	.	I	π-helix	trans	-59.9	-51.8	176.9	178.8	-179.6	63.4	-177.4	0	110.3	E634 E677 V712 D713 Q720 F721	E634-K716 WeakPolarHBondContact OE2-CD 3.36Å; E634-K716 IonicContact OE2-NZ 3.46Å; E634-K716 PolarHBondContact OE2-NZ 3.39Å; E677-K716 WeakPolarHBondContact OE1-CE 3.05Å; E677-K716 IonicContact OE1-NZ 2.68Å; E677-K716 PolarHBondContact OE1-NZ 3Å; E677-K716 IonicContact OE2-NZ 2.65Å; E677-K716 PolarHBondContact OE2-NZ 3.42Å; V712-K716 WeakPolarHBondContact O-CB 3.21Å; V712-K716 PolarHBondContact O-N 2.95Å; D713-K716 WeakPolarHBondContact O-CB 3.28Å; D713-K716 PolarHBondContact O-N 3.2Å; D713-K716 WeakPolarHBondContact OD1-CE 3.31Å; D713-K716 IonicContact OD1-NZ 2.75Å; D713-K716 PolarHBondContact OD1-NZ 3.27Å; K716-Q720 PolarHBondContact O-N 2.93Å; K716-F721 HydrophobicContact CD-CE2 3.82Å; K716-F721 HydrophobicContact CD-CZ 4.26Å; K716-F721 HydrophobicContact CG-CD2 3.96Å; K716-F721 HydrophobicContact CG-CE2 3.51Å; K716-F721 HydrophobicContact CG-CZ 4.14Å; K716-F721 PolarHBondContact O-N 3.47Å
717	F	91.4	Very high	91	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	10%	0.095	C	C	.	.	I	π-helix	trans	-65.9	-37.1	174.7	-80.6	-80.5	0	0	0	113.7	Y297 I301 F305 F669 D713 F721	Y297-F717 HydrophobicContact CE1-CB 4.46Å; Y297-F717 PolarHBondContact OH-O 3.05Å; I301-F717 HydrophobicContact CD1-CD1 4.4Å; I301-F717 HydrophobicContact CD1-CE1 4Å; F305-F717 HydrophobicContact CE2-CD2 4.24Å; F305-F717 AromaticContact CZ-CD2 3.96Å; F305-F717 HydrophobicContact CZ-CD2 3.96Å; F305-F717 HydrophobicContact CZ-CE2 4.37Å; F669-F717 AromaticContact CD2-CE1 3.91Å; F669-F717 HydrophobicContact CD2-CE1 3.91Å; F669-F717 HydrophobicContact CD2-CZ 4.42Å; F669-F717 HydrophobicContact CE1-CE1 4.49Å; F669-F717 HydrophobicContact CE2-CD1 4.48Å; F669-F717 AromaticContact CE2-CE1 3.39Å; F669-F717 HydrophobicContact CE2-CE1 3.39Å; F669-F717 AromaticContact CE2-CZ 3.53Å; F669-F717 HydrophobicContact CE2-CZ 3.53Å; F669-F717 AromaticContact CZ-CE1 3.72Å; F669-F717 HydrophobicContact CZ-CE1 3.72Å; F669-F717 AromaticContact CZ-CZ 3.8Å; F669-F717 HydrophobicContact CZ-CZ 3.8Å; D713-F717 WeakPolarHBondContact O-CD2 2.97Å; D713-F717 PolarHBondContact O-N 3.3Å; F717-F721 HydrophobicContact CD1-CD2 4.38Å
718	T	92.2	Very high	90.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	I	π-helix	trans	-78.5	-34	-177.1	-58.3	0	0	0	0	112.9	R271 Y275 A279 Y297 A714 W715	R271-T718 HydrophobicContact CG-CG2 4.08Å; R271-T718 PolarHBondContact NE-O 3.45Å; R271-T718 PolarHBondContact NH2-O 3.35Å; Y275-T718 HydrophobicContact CD2-CG2 4.26Å; A279-T718 HydrophobicContact CB-CG2 4.48Å; Y297-T718 VanDerWaalsContact OH-CA 3.29Å; Y297-T718 WeakPolarHBondContact OH-CA 3.28Å; Y297-T718 PolarHBondContact OH-N 3Å; A714-T718 WeakPolarHBondContact O-CB 3.46Å; A714-T718 PolarHBondContact O-N 2.9Å; A714-T718 PolarHBondContact O-OG1 3.22Å; W715-T718 PolarHBondContact O-N 2.59Å
719	T	90	Very high	90.2	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.018	8%	0.08	C	C	.	.	I	π-helix	trans	-117.7	-29.6	-166.5	72.9	0	0	0	0	115.6	Y258 Y275 W715	Y258-T719 HydrophobicContact CD1-CG2 3.81Å; Y258-T719 HydrophobicContact CD2-CG2 3.76Å; Y258-T719 HydrophobicContact CE1-CG2 3.96Å; Y258-T719 HydrophobicContact CE2-CG2 3.92Å; Y258-T719 HydrophobicContact CG-CG2 3.72Å; Y275-T719 HydrophobicContact CD2-CG2 3.92Å; Y275-T719 HydrophobicContact CE2-CG2 3.92Å; W715-T719 HydrophobicContact CG-CG2 4.42Å; W715-T719 PolarHBondContact NE1-OG1 3.47Å; W715-T719 WeakPolarHBondContact O-CB 3.33Å; W715-T719 WeakPolarHBondContact O-CG2 3.26Å; W715-T719 PolarHBondContact O-N 3.48Å; W715-T719 PolarHBondContact O-OG1 3.34Å
720	Q	90.4	Very high	89.7	Confident	12 Å²	12	18.2 Å²	18.2	6%	0.056	9%	0.092	C	C	.	.	I	π-helix	trans	-109.5	-33.4	-168.7	-57.6	-51.7	-50	0	0	115.3	P638 N642 L667 W715 K716	P638-Q720 HydrophobicContact CB-CB 3.88Å; P638-Q720 HydrophobicContact CB-CG 4.13Å; P638-Q720 HydrophobicContact CG-CB 4.45Å; P638-Q720 HydrophobicContact CG-CG 4.31Å; N642-Q720 WeakPolarHBondContact ND2-CA 3.18Å; N642-Q720 PolarHBondContact ND2-O 3.35Å; N642-Q720 PolarHBondContact ND2-OE1 3Å; L667-Q720 PolarHBondContact N-O 3.31Å; W715-Q720 HydrophobicContact CE3-CG 4.45Å; W715-Q720 HydrophobicContact CH2-CG 3.81Å; W715-Q720 HydrophobicContact CZ2-CG 4.19Å; W715-Q720 HydrophobicContact CZ3-CG 3.92Å; K716-Q720 PolarHBondContact O-N 2.93Å
721	F	90.8	Very high	89.4	Confident	32 Å²	32	20.3 Å²	20.3	14%	0.14	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-88.3	155.3	175.3	-69.7	-47.2	0	0	0	112.3	H254 L667 F669 K716 F717	H254-F721 PolarHBondContact NE2-O 3.36Å; L667-F721 HydrophobicContact CB-CD1 3.86Å; L667-F721 HydrophobicContact CB-CE1 4.2Å; L667-F721 CarbonylContact O-C 3.6Å; L667-F721 WeakPolarHBondContact O-CA 3.3Å; F669-F721 AromaticContact CD2-CD2 3.78Å; F669-F721 HydrophobicContact CD2-CD2 3.78Å; F669-F721 AromaticContact CD2-CE2 3.82Å; F669-F721 HydrophobicContact CD2-CE2 3.82Å; F669-F721 HydrophobicContact CD2-CG 4.17Å; F669-F721 HydrophobicContact CD2-CZ 4.27Å; F669-F721 HydrophobicContact CE2-CD2 4.34Å; F669-F721 HydrophobicContact CE2-CE2 4.1Å; K716-F721 HydrophobicContact CD-CE2 3.82Å; K716-F721 HydrophobicContact CD-CZ 4.26Å; K716-F721 HydrophobicContact CG-CD2 3.96Å; K716-F721 HydrophobicContact CG-CE2 3.51Å; K716-F721 HydrophobicContact CG-CZ 4.14Å; K716-F721 PolarHBondContact O-N 3.47Å; F717-F721 HydrophobicContact CD1-CD2 4.38Å
722	R	91.2	Very high	89.2	Confident	26 Å²	26	20.1 Å²	20.1	10%	0.098	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-63.7	154.7	158.7	-64.6	179.9	-167.4	167.4	-2.8	110.2	A249 D663 Y664 L666 L667 P724	A249-R722 VanDerWaalsContact CB-NH1 3.3Å; D663-R722 VanDerWaalsContact O-CG 3.28Å; D663-R722 WeakPolarHBondContact O-CG 3.25Å; D663-R722 PolarHBondContact O-NE 3.18Å; Y664-R722 PolarHBondContact O-NH2 3.37Å; L666-R722 HydrophobicContact CB-CG 3.87Å; L666-R722 PolarHBondContact O-NE 2.96Å; L666-R722 PolarHBondContact O-NH2 3Å; L667-R722 PolarHBondContact O-N 3.09Å; R722-P724 WeakPolarHBondContact O-CD 3.4Å
723	R	91.9	Very high	89	Confident	9 Å²	9	20.3 Å²	20.3	3%	0.034	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-59.8	120.1	174.8	-168.1	179.4	-166.6	157.2	10.3	109.5	P252 L253 H254 D255 Y296	P252-R723 WeakPolarHBondContact CD-O 3.28Å; P252-R723 HydrophobicContact CG-CB 4.21Å; P252-R723 HydrophobicContact CG-CG 4.3Å; P252-R723 WeakPolarHBondContact CG-O 3.19Å; L253-R723 WeakPolarHBondContact O-CD 3.5Å; L253-R723 PolarHBondContact O-NH1 3.07Å; H254-R723 PolarHBondContact NE2-N 3.01Å; D255-R723 IonicContact OD1-CZ 3.57Å; D255-R723 IonicContact OD1-NH1 2.63Å; D255-R723 PolarHBondContact OD1-NH1 3.29Å; D255-R723 IonicContact OD1-NH2 2.65Å; Y296-R723 VanDerWaalsContact CE2-NH2 3.34Å; Y296-R723 PolarHBondContact O-NE 2.84Å; Y296-R723 PolarHBondContact O-NH2 3.33Å
724	P	91.3	Very high	89	Confident	15 Å²	15	20.6 Å²	20.6	10%	0.097	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-69.7	155.4	171.6	29	-32.6	0	0	0	110.2	Y297 I301 F669 R722 A726	Y297-P724 HydrophobicContact CD1-CG 3.89Å; Y297-P724 HydrophobicContact CE1-CG 4.41Å; I301-P724 HydrophobicContact CD1-CB 4.16Å; I301-P724 HydrophobicContact CD1-CG 3.36Å; F669-P724 HydrophobicContact CB-CB 4.38Å; F669-P724 HydrophobicContact CD1-CB 3.89Å; F669-P724 HydrophobicContact CG-CB 4.31Å; R722-P724 WeakPolarHBondContact O-CD 3.4Å; P724-A726 PolarHBondContact O-N 3.43Å
725	V	89.3	Confident	89	Confident	38 Å²	38	21.1 Å²	21.1	23%	0.23	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-70.2	127.3	172.6	-177.2	0	0	0	0	108.9	F84 F217 P252 S727	F84-V725 HydrophobicContact CE2-CG2 3.95Å; F84-V725 HydrophobicContact CZ-CG2 3.79Å; F217-V725 HydrophobicContact CB-CG1 3.76Å; F217-V725 HydrophobicContact CB-CG2 4.41Å; F217-V725 HydrophobicContact CD1-CG1 3.97Å; F217-V725 HydrophobicContact CD2-CG2 4Å; F217-V725 HydrophobicContact CE2-CG2 4.42Å; F217-V725 HydrophobicContact CG-CB 4.48Å; F217-V725 HydrophobicContact CG-CG1 3.87Å; F217-V725 HydrophobicContact CG-CG2 4.08Å; P252-V725 HydrophobicContact CG-CG2 4.33Å; V725-S727 PolarHBondContact O-N 3.39Å
726	A	88	Confident	89	Confident	5 Å²	5	20.6 Å²	20.6	4%	0.041	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-61.8	130.4	179.6	0	0	0	0	0	110.9	S210 P724	S210-A726 WeakPolarHBondContact O-CB 3.49Å; P724-A726 PolarHBondContact O-N 3.43Å
727	S	83	Confident	89	Confident	47 Å²	47	26 Å²	26	33%	0.329	14%	0.135	S	C	.	.			trans	-134.9	134.7	-178.2	39.2	0	0	0	0	110.4	E299 K300 V725	E299-S727 PolarHBondContact N-O 3.1Å; K300-S727 WeakPolarHBondContact CB-O 3.34Å; K300-S727 PolarHBondContact N-O 3.24Å; V725-S727 PolarHBondContact O-N 3.39Å
728	K	83.5	Confident	89.2	Confident	41 Å²	41	26.5 Å²	26.5	18%	0.178	14%	0.138	C	C	.	.			trans	-71.1	138.8	172.5	-82.1	-168.9	168.9	-158.3	0	109.9	E299 D414 L415 F418	E299-K728 VanDerWaalsContact CD-CG 3.45Å; E299-K728 HydrophobicContact CG-CG 4.35Å; E299-K728 VanDerWaalsContact OE1-CG 3.31Å; E299-K728 WeakPolarHBondContact OE1-CG 3.4Å; E299-K728 WeakPolarHBondContact OE2-CA 3.46Å; E299-K728 WeakPolarHBondContact OE2-CG 3.19Å; E299-K728 PolarHBondContact OE2-N 2.9Å; D414-K728 PolarHBondContact O-NZ 2.94Å; L415-K728 HydrophobicContact CD2-CB 4.26Å; L415-K728 HydrophobicContact CD2-CD 3.68Å; L415-K728 HydrophobicContact CD2-CG 3.89Å; F418-K728 HydrophobicContact CD2-CB 4.14Å; F418-K728 HydrophobicContact CD2-CD 3.79Å; F418-K728 HydrophobicContact CE2-CB 3.26Å; F418-K728 HydrophobicContact CE2-CD 3.65Å; F418-K728 HydrophobicContact CE2-CG 4.05Å; F418-K728 HydrophobicContact CZ-CB 3.51Å
729	A	83.1	Confident	89.3	Confident	17 Å²	17	26.5 Å²	26.5	14%	0.14	14%	0.138	C	C	.	.			trans	-148.5	121.8	165.8	0	0	0	0	0	109.2	K300 L415	K300-A729 HydrophobicContact CB-CB 3.77Å; K300-A729 HydrophobicContact CG-CB 3.91Å; L415-A729 WeakPolarHBondContact CD1-O 3.28Å
730	R	82	Confident	89.4	Confident	71 Å²	71	27.8 Å²	27.8	27%	0.268	14%	0.144	S	C	.	.	S	Bend	trans	-66	-38.9	179.4	-177.6	-173.9	173.6	174	10.9	112.6	E410 F418 E419	E410-R730 VanDerWaalsContact CD-NE 3.31Å; E410-R730 HydrophobicContact CG-CG 3.7Å; E410-R730 WeakPolarHBondContact CG-O 3.29Å; E410-R730 IonicContact OE1-NE 3.95Å; E410-R730 IonicContact OE2-CZ 3.18Å; E410-R730 VanDerWaalsContact OE2-CZ 3.26Å; E410-R730 IonicContact OE2-NE 2.69Å; E410-R730 PolarHBondContact OE2-NE 3.46Å; E410-R730 IonicContact OE2-NH2 2.76Å; E410-R730 PolarHBondContact OE2-NH2 2.87Å; F418-R730 HydrophobicContact CD1-CB 3.96Å; F418-R730 HydrophobicContact CE1-CB 4.47Å; E419-R730 IonicContact OE2-CZ 3.97Å; E419-R730 IonicContact OE2-NH1 2.65Å; E419-R730 PolarHBondContact OE2-NH1 3.24Å
731	N	86.1	Confident	89.6	Confident	55 Å²	55	30.6 Å²	30.6	29%	0.294	17%	0.165	S	C	.	.	S	Bend	trans	-140.2	177.8	-172	60.9	22.3	0	0	0	110.9	G733	N731-G733 PolarHBondContact O-N 3.17Å; N731-G733 VanDerWaalsContact O-N 3.13Å; N731-G733 WeakPolarHBondContact OD1-CA 3.36Å; N731-G733 PolarHBondContact OD1-N 3.25Å
732	I	88.9	Confident	89.8	Confident	6 Å²	6	29.2 Å²	29.2	3%	0.031	16%	0.16	C	C	.	.			trans	-74.5	11.6	174.5	66.1	175.6	0	0	0	113.6	I303 W307 W402 Y678 W735 Q736 L739	I303-I732 HydrophobicContact CG1-CG2 4.16Å; W307-I732 HydrophobicContact CB-CG2 4.16Å; W307-I732 HydrophobicContact CG-CG2 4.21Å; W402-I732 HydrophobicContact CZ2-CG2 3.93Å; Y678-I732 HydrophobicContact CE1-CB 4.07Å; Y678-I732 HydrophobicContact CE1-CG2 3.95Å; I732-W735 HydrophobicContact CB-CB 4.36Å; I732-W735 HydrophobicContact CD1-CB 3.94Å; I732-W735 HydrophobicContact CG1-CB 4.05Å; I732-W735 VanDerWaalsContact O-CD1 3.23Å; I732-Q736 HydrophobicContact CD1-CB 4.27Å; I732-Q736 HydrophobicContact CG1-CB 4.07Å; I732-L739 HydrophobicContact CD1-CD1 3.93Å
733	G	87.3	Confident	89.8	Confident	13 Å²	13	28.2 Å²	28.2	13%	0.134	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-145.7	-177.3	0	0	0	0	0	113.4	N731 W735 Q736	N731-G733 PolarHBondContact O-N 3.17Å; N731-G733 VanDerWaalsContact O-N 3.13Å; N731-G733 WeakPolarHBondContact OD1-CA 3.36Å; N731-G733 PolarHBondContact OD1-N 3.25Å; G733-W735 PolarHBondContact O-N 3.24Å; G733-Q736 PolarHBondContact O-N 2.9Å
734	A	90.6	Very high	89.7	Confident	8 Å²	8	31.6 Å²	31.6	7%	0.066	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.4	-178.5	0	0	0	0	0	114.8	N556 T559 I560 Q736 E737 I738	N556-A734 HydrophobicContact CB-CB 3.94Å; N556-A734 PolarHBondContact OD1-N 3.46Å; T559-A734 HydrophobicContact CG2-CB 4.14Å; I560-A734 HydrophobicContact CD1-CB 4.23Å; I560-A734 HydrophobicContact CG1-CB 4.01Å; A734-Q736 PolarHBondContact O-N 2.73Å; A734-E737 PolarHBondContact O-N 3.26Å; A734-I738 WeakPolarHBondContact O-CG1 3.44Å; A734-I738 PolarHBondContact O-N 2.88Å; A734-I738 VanDerWaalsContact O-N 3.11Å
735	W	94	Very high	89.8	Confident	10 Å²	10	34 Å²	34	4%	0.038	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-29	175.8	-64.2	121.6	0	0	0	113.2	T559 F563 F675 Y678 L679 V682 I732 G733 I738 L739	T559-W735 HydrophobicContact CG2-CD2 3.8Å; T559-W735 HydrophobicContact CG2-CE3 4.07Å; T559-W735 HydrophobicContact CG2-CG 4.48Å; T559-W735 HydrophobicContact CG2-CH2 3.96Å; T559-W735 HydrophobicContact CG2-CZ2 3.67Å; T559-W735 HydrophobicContact CG2-CZ3 4.14Å; F563-W735 HydrophobicContact CB-CZ3 4.26Å; F563-W735 AromaticContact CD2-CZ3 3.87Å; F563-W735 HydrophobicContact CD2-CZ3 3.87Å; F563-W735 HydrophobicContact CG-CZ3 4.31Å; F675-W735 AromaticContact CD2-CH2 3.97Å; F675-W735 HydrophobicContact CD2-CH2 3.97Å; F675-W735 AromaticContact CD2-CZ2 3.39Å; F675-W735 HydrophobicContact CD2-CZ2 3.39Å; F675-W735 AromaticContact CE2-CH2 3.51Å; F675-W735 HydrophobicContact CE2-CH2 3.51Å; F675-W735 AromaticContact CE2-CZ2 3.47Å; F675-W735 HydrophobicContact CE2-CZ2 3.47Å; F675-W735 VanDerWaalsContact CE2-CZ2 3.47Å; F675-W735 HydrophobicContact CG-CZ2 4.24Å; F675-W735 HydrophobicContact CZ-CH2 4.17Å; F675-W735 HydrophobicContact CZ-CZ2 4.37Å; F675-W735 WeakPolarHBondContact O-CZ2 3.46Å; Y678-W735 AromaticContact CD1-CD1 3.91Å; Y678-W735 HydrophobicContact CD1-CG 4.33Å; Y678-W735 AromaticContact CD2-CD1 3.75Å; Y678-W735 AromaticContact CD2-NE1 3.59Å; Y678-W735 AromaticContact CG-CD1 3.55Å; Y678-W735 HydrophobicContact CG-CG 4.23Å; Y678-W735 AromaticContact CG-NE1 3.48Å; L679-W735 HydrophobicContact CB-CH2 3.82Å; L679-W735 HydrophobicContact CB-CZ2 4.29Å; L679-W735 HydrophobicContact CD1-CH2 4.01Å; V682-W735 HydrophobicContact CB-CE3 4.17Å; V682-W735 HydrophobicContact CB-CZ3 4.14Å; V682-W735 HydrophobicContact CG1-CE3 4.07Å; V682-W735 HydrophobicContact CG1-CZ3 4.07Å; V682-W735 HydrophobicContact CG2-CD2 4.31Å; V682-W735 HydrophobicContact CG2-CE3 3.8Å; V682-W735 HydrophobicContact CG2-CZ3 4.24Å; I732-W735 HydrophobicContact CB-CB 4.36Å; I732-W735 HydrophobicContact CD1-CB 3.94Å; I732-W735 HydrophobicContact CG1-CB 4.05Å; I732-W735 VanDerWaalsContact O-CD1 3.23Å; G733-W735 PolarHBondContact O-N 3.24Å; W735-I738 HydrophobicContact CD2-CD1 4.37Å; W735-I738 HydrophobicContact CE3-CB 4.31Å; W735-I738 HydrophobicContact CE3-CD1 3.58Å; W735-I738 HydrophobicContact CE3-CG2 4.16Å; W735-I738 HydrophobicContact CZ3-CD1 3.84Å; W735-I738 HydrophobicContact CZ3-CG2 4.44Å; W735-I738 PolarHBondContact O-N 3.45Å; W735-L739 WeakPolarHBondContact O-CB 3.26Å; W735-L739 VanDerWaalsContact O-CG 3.25Å; W735-L739 WeakPolarHBondContact O-CG 3.29Å; W735-L739 PolarHBondContact O-N 3.26Å
736	Q	92.2	Very high	90	Very high	20 Å²	20	32.4 Å²	32.4	9%	0.093	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-46.5	175.6	-174.1	61	38.8	0	0	111.6	I732 G733 A734 I738 L739 N740	I732-Q736 HydrophobicContact CD1-CB 4.27Å; I732-Q736 HydrophobicContact CG1-CB 4.07Å; G733-Q736 PolarHBondContact O-N 2.9Å; A734-Q736 PolarHBondContact O-N 2.73Å; Q736-I738 VanDerWaalsContact C-N 3.33Å; Q736-I738 PolarHBondContact O-N 3.18Å; Q736-L739 PolarHBondContact O-N 3.03Å; Q736-N740 PolarHBondContact NE2-OD1 2.91Å; Q736-N740 WeakPolarHBondContact O-CB 3.36Å; Q736-N740 PolarHBondContact O-N 2.65Å; Q736-N740 PolarHBondContact O-ND2 2.74Å; Q736-N740 PolarHBondContact O-OD1 3.28Å
737	E	92.8	Very high	90.2	Very high	118 Å²	118	32.6 Å²	32.6	55%	0.551	18%	0.178	S	C	*	.	H	α-helix	trans	-71.8	-29.7	179.2	-60.8	-47.4	142	0	0	112.9	A734 N740 S741	A734-E737 PolarHBondContact O-N 3.26Å; E737-N740 PolarHBondContact OE1-ND2 2.72Å; E737-N740 PolarHBondContact OE2-ND2 2.88Å; E737-S741 VanDerWaalsContact O-CB 3.32Å; E737-S741 WeakPolarHBondContact O-CB 3.39Å; E737-S741 PolarHBondContact O-N 3.42Å; E737-S741 PolarHBondContact O-OG 2.83Å
738	I	95.2	Very high	90.7	Very high	10 Å²	10	32.3 Å²	32.3	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-48.1	170.5	-73	165.1	0	0	0	110.5	T559 F563 V682 A734 W735 Q736 S741 V742	T559-I738 HydrophobicContact CG2-CD1 3.84Å; F563-I738 HydrophobicContact CB-CD1 3.78Å; F563-I738 HydrophobicContact CD1-CB 4.42Å; F563-I738 HydrophobicContact CD1-CD1 3.99Å; F563-I738 HydrophobicContact CD1-CG1 3.88Å; F563-I738 HydrophobicContact CD1-CG2 3.72Å; F563-I738 HydrophobicContact CD2-CD1 4.5Å; F563-I738 HydrophobicContact CD2-CG2 3.86Å; F563-I738 HydrophobicContact CE1-CB 4.42Å; F563-I738 HydrophobicContact CE1-CG1 4.31Å; F563-I738 HydrophobicContact CE1-CG2 3.45Å; F563-I738 VanDerWaalsContact CE1-CG2 3.45Å; F563-I738 HydrophobicContact CE2-CG2 3.59Å; F563-I738 HydrophobicContact CG-CD1 3.81Å; F563-I738 HydrophobicContact CG-CG1 4.19Å; F563-I738 HydrophobicContact CG-CG2 3.9Å; F563-I738 HydrophobicContact CZ-CG2 3.36Å; V682-I738 HydrophobicContact CG1-CG2 3.67Å; A734-I738 WeakPolarHBondContact O-CG1 3.44Å; A734-I738 PolarHBondContact O-N 2.88Å; A734-I738 VanDerWaalsContact O-N 3.11Å; W735-I738 HydrophobicContact CD2-CD1 4.37Å; W735-I738 HydrophobicContact CE3-CB 4.31Å; W735-I738 HydrophobicContact CE3-CD1 3.58Å; W735-I738 HydrophobicContact CE3-CG2 4.16Å; W735-I738 HydrophobicContact CZ3-CD1 3.84Å; W735-I738 HydrophobicContact CZ3-CG2 4.44Å; W735-I738 PolarHBondContact O-N 3.45Å; Q736-I738 VanDerWaalsContact C-N 3.33Å; Q736-I738 PolarHBondContact O-N 3.18Å; I738-S741 WeakPolarHBondContact O-CB 3.37Å; I738-S741 PolarHBondContact O-N 3.31Å; I738-V742 WeakPolarHBondContact O-CG2 3.42Å; I738-V742 PolarHBondContact O-N 3.48Å
739	L	94.7	Very high	91.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-42.8	176.7	-71	168.2	0	0	0	111.6	W307 L399 V682 F685 I732 W735 Q736 S741 V742 A743	W307-L739 HydrophobicContact CZ2-CD1 3.84Å; W307-L739 HydrophobicContact CZ2-CD2 4.47Å; L399-L739 HydrophobicContact CD2-CB 3.88Å; V682-L739 HydrophobicContact CG1-CD2 4.26Å; V682-L739 HydrophobicContact CG2-CD2 4.15Å; V682-L739 HydrophobicContact CG2-CG 4.41Å; F685-L739 HydrophobicContact CB-CD2 4.3Å; F685-L739 HydrophobicContact CD1-CD2 3.39Å; F685-L739 HydrophobicContact CD2-CD2 4.35Å; F685-L739 HydrophobicContact CE1-CD2 3.66Å; F685-L739 HydrophobicContact CG-CD2 3.77Å; F685-L739 HydrophobicContact CZ-CD2 4.25Å; I732-L739 HydrophobicContact CD1-CD1 3.93Å; W735-L739 WeakPolarHBondContact O-CB 3.26Å; W735-L739 VanDerWaalsContact O-CG 3.25Å; W735-L739 WeakPolarHBondContact O-CG 3.29Å; W735-L739 PolarHBondContact O-N 3.26Å; Q736-L739 PolarHBondContact O-N 3.03Å; L739-S741 VanDerWaalsContact C-N 3.28Å; L739-S741 PolarHBondContact O-N 3Å; L739-V742 PolarHBondContact O-N 3.2Å; L739-A743 WeakPolarHBondContact O-CB 3.49Å; L739-A743 PolarHBondContact O-N 3.38Å
740	N	92.1	Very high	91.6	Very high	30 Å²	30	30.1 Å²	30.1	16%	0.16	16%	0.162	C	C	.	.	H	α-helix	trans	-56.1	-41.9	172.4	-69.3	-19.4	0	0	0	111.8	Q736 E737 I744	Q736-N740 PolarHBondContact NE2-OD1 2.91Å; Q736-N740 WeakPolarHBondContact O-CB 3.36Å; Q736-N740 PolarHBondContact O-N 2.65Å; Q736-N740 PolarHBondContact O-ND2 2.74Å; Q736-N740 PolarHBondContact O-OD1 3.28Å; E737-N740 PolarHBondContact OE1-ND2 2.72Å; E737-N740 PolarHBondContact OE2-ND2 2.88Å; N740-I744 WeakPolarHBondContact O-CG1 3.26Å; N740-I744 PolarHBondContact O-N 3.38Å
741	S	93.3	Very high	92.1	Very high	71 Å²	71	26.8 Å²	26.8	50%	0.497	15%	0.149	S	C	.	.	H	α-helix	trans	-70.9	-45.8	-179.3	-59.7	0	0	0	0	112.2	E737 I738 L739 A743 I744 L745	E737-S741 VanDerWaalsContact O-CB 3.32Å; E737-S741 WeakPolarHBondContact O-CB 3.39Å; E737-S741 PolarHBondContact O-N 3.42Å; E737-S741 PolarHBondContact O-OG 2.83Å; I738-S741 WeakPolarHBondContact O-CB 3.37Å; I738-S741 PolarHBondContact O-N 3.31Å; L739-S741 VanDerWaalsContact C-N 3.28Å; L739-S741 PolarHBondContact O-N 3Å; S741-A743 VanDerWaalsContact C-N 3.29Å; S741-A743 PolarHBondContact O-N 2.83Å; S741-I744 PolarHBondContact O-N 3.17Å; S741-L745 PolarHBondContact O-N 2.83Å
742	V	94.6	Very high	92.5	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-39.4	175.1	172.8	0	0	0	0	110.6	F563 F567 F685 L690 I738 L739 I744 L745 S746	F563-V742 HydrophobicContact CE1-CG2 4.48Å; F563-V742 HydrophobicContact CZ-CG2 3.85Å; F567-V742 HydrophobicContact CE2-CG2 4.32Å; F685-V742 HydrophobicContact CD1-CG1 4.01Å; F685-V742 HydrophobicContact CE1-CB 4.41Å; F685-V742 HydrophobicContact CE1-CG1 4.01Å; L690-V742 HydrophobicContact CD2-CG1 4.45Å; L690-V742 HydrophobicContact CG-CG1 4.36Å; I738-V742 WeakPolarHBondContact O-CG2 3.42Å; I738-V742 PolarHBondContact O-N 3.48Å; L739-V742 PolarHBondContact O-N 3.2Å; V742-I744 PolarHBondContact O-N 2.96Å; V742-L745 PolarHBondContact O-N 2.85Å; V742-S746 WeakPolarHBondContact O-CB 3.46Å; V742-S746 PolarHBondContact O-N 3.4Å; V742-S746 PolarHBondContact O-OG 2.84Å
743	A	91.8	Very high	92.6	Very high	6 Å²	6	27.2 Å²	27.2	5%	0.05	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-32.6	176.8	0	0	0	0	0	114.5	V395 L399 L739 S741 S746	V395-A743 HydrophobicContact CG1-CB 3.27Å; L399-A743 HydrophobicContact CD1-CB 3.54Å; L739-A743 WeakPolarHBondContact O-CB 3.49Å; L739-A743 PolarHBondContact O-N 3.38Å; S741-A743 VanDerWaalsContact C-N 3.29Å; S741-A743 PolarHBondContact O-N 2.83Å; A743-S746 WeakPolarHBondContact CA-OG 3.25Å; A743-S746 PolarHBondContact O-OG 3.04Å
744	I	90.8	Very high	92.7	Very high	79 Å²	79	26.7 Å²	26.7	41%	0.405	14%	0.143	S	C	.	.	H	α-helix	trans	-73.3	-45.8	172.4	-68.5	164.1	0	0	0	109.4	N740 S741 V742 S746 V747 F849	N740-I744 WeakPolarHBondContact O-CG1 3.26Å; N740-I744 PolarHBondContact O-N 3.38Å; S741-I744 PolarHBondContact O-N 3.17Å; V742-I744 PolarHBondContact O-N 2.96Å; I744-S746 VanDerWaalsContact C-N 3.29Å; I744-S746 PolarHBondContact O-N 3.41Å; I744-V747 PolarHBondContact O-N 2.78Å; I744-F849 HydrophobicContact CG2-CE1 4.35Å; I744-F849 HydrophobicContact CG2-CZ 4.18Å
745	L	93.3	Very high	92.7	Very high	67 Å²	67	26.3 Å²	26.3	35%	0.351	14%	0.14	S	C	.	.	H	α-helix	trans	-64.7	-30.5	-179.7	-174.5	59	0	0	0	112.9	F567 L690 S741 V742 V748 T749	F567-L745 HydrophobicContact CE1-CD2 4.27Å; F567-L745 HydrophobicContact CE2-CD2 4.22Å; F567-L745 HydrophobicContact CZ-CD2 3.5Å; F567-L745 VanDerWaalsContact CZ-CD2 3.5Å; L690-L745 HydrophobicContact CD2-CB 4.1Å; L690-L745 HydrophobicContact CD2-CD2 4.07Å; L690-L745 HydrophobicContact CD2-CG 3.79Å; S741-L745 PolarHBondContact O-N 2.83Å; V742-L745 PolarHBondContact O-N 2.85Å; L745-V748 PolarHBondContact O-N 2.04Å; L745-T749 VanDerWaalsContact O-CB 3.3Å; L745-T749 WeakPolarHBondContact O-CB 3.45Å; L745-T749 PolarHBondContact O-N 2.98Å; L745-T749 PolarHBondContact O-OG1 3.16Å
746	S	93.4	Very high	92.5	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.028	15%	0.151	C	C	.	.	H	α-helix	trans	-67.9	-33.5	178	53.8	0	0	0	0	113.6	T689 V742 A743 I744 T749 N750	T689-S746 WeakPolarHBondContact O-CB 3.49Å; V742-S746 WeakPolarHBondContact O-CB 3.46Å; V742-S746 PolarHBondContact O-N 3.4Å; V742-S746 PolarHBondContact O-OG 2.84Å; A743-S746 WeakPolarHBondContact CA-OG 3.25Å; A743-S746 PolarHBondContact O-OG 3.04Å; I744-S746 VanDerWaalsContact C-N 3.29Å; I744-S746 PolarHBondContact O-N 3.41Å; S746-T749 PolarHBondContact O-N 2.92Å; S746-N750 WeakPolarHBondContact O-CB 2.99Å; S746-N750 PolarHBondContact O-N 2.98Å; S746-N750 PolarHBondContact O-ND2 3.35Å
747	V	91.6	Very high	92.3	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.055	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-51	175.9	179.4	0	0	0	0	109.6	I744 A751 V848 F849	I744-V747 PolarHBondContact O-N 2.78Å; V747-A751 WeakPolarHBondContact O-CB 3.33Å; V747-A751 PolarHBondContact O-N 2.94Å; V747-A751 VanDerWaalsContact O-N 3.12Å; V747-V848 HydrophobicContact CB-CG1 4.44Å; V747-V848 HydrophobicContact CG1-CB 3.83Å; V747-V848 HydrophobicContact CG1-CG1 3.9Å; V747-V848 HydrophobicContact CG1-CG2 4.46Å; V747-V848 HydrophobicContact CG2-CB 4.47Å; V747-V848 HydrophobicContact CG2-CG1 3.61Å; V747-F849 HydrophobicContact CB-CE1 4.42Å; V747-F849 HydrophobicContact CB-CZ 4.47Å; V747-F849 HydrophobicContact CG1-CZ 4.49Å; V747-F849 HydrophobicContact CG2-CE1 4.4Å
748	V	92.8	Very high	92.1	Very high	41 Å²	41	22.9 Å²	22.9	25%	0.248	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-46.3	177.3	-175.9	0	0	0	0	110.9	L745 N750 A751 F752	L745-V748 PolarHBondContact O-N 2.04Å; V748-N750 PolarHBondContact O-N 3.31Å; V748-A751 PolarHBondContact O-N 2.97Å; V748-F752 HydrophobicContact CG1-CD2 3.85Å; V748-F752 HydrophobicContact CG1-CE2 3.86Å; V748-F752 VanDerWaalsContact O-CD2 3.32Å; V748-F752 WeakPolarHBondContact O-CD2 3.45Å; V748-F752 PolarHBondContact O-N 3.33Å
749	T	94.1	Very high	91.7	Very high	5 Å²	5	24 Å²	24	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-62.2	-46.1	-177.1	-55.1	0	0	0	0	111.6	F575 F579 L690 F691 L745 S746 F752 I753	F575-T749 HydrophobicContact CD1-CG2 4.44Å; F575-T749 HydrophobicContact CE1-CG2 3.77Å; F579-T749 HydrophobicContact CE2-CG2 4.09Å; F579-T749 HydrophobicContact CZ-CG2 3.78Å; L690-T749 HydrophobicContact CB-CG2 4.34Å; L690-T749 WeakPolarHBondContact O-CB 3.48Å; L690-T749 WeakPolarHBondContact O-CG2 3.26Å; F691-T749 HydrophobicContact CE1-CG2 4.47Å; L745-T749 VanDerWaalsContact O-CB 3.3Å; L745-T749 WeakPolarHBondContact O-CB 3.45Å; L745-T749 PolarHBondContact O-N 2.98Å; L745-T749 PolarHBondContact O-OG1 3.16Å; S746-T749 PolarHBondContact O-N 2.92Å; T749-F752 PolarHBondContact O-N 2.87Å; T749-I753 HydrophobicContact CG2-CD1 3.96Å; T749-I753 HydrophobicContact CG2-CG1 4.49Å; T749-I753 VanDerWaalsContact O-CG1 3.3Å; T749-I753 WeakPolarHBondContact O-CG1 3.27Å; T749-I753 PolarHBondContact O-N 2.99Å
750	N	92.6	Very high	91.3	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-66.9	-38.9	177.7	-72.3	-66.3	0	0	0	112.6	T689 L690 V692 A693 S746 V748 F752 I753 M754 M844	T689-N750 PolarHBondContact O-ND2 3.19Å; L690-N750 PolarHBondContact O-OD1 3.29Å; V692-N750 PolarHBondContact N-OD1 3.38Å; A693-N750 HydrophobicContact CB-CB 4.19Å; A693-N750 VanDerWaalsContact CB-OD1 3.26Å; A693-N750 WeakPolarHBondContact CB-OD1 3.04Å; A693-N750 PolarHBondContact N-OD1 3.06Å; S746-N750 WeakPolarHBondContact O-CB 2.99Å; S746-N750 PolarHBondContact O-N 2.98Å; S746-N750 PolarHBondContact O-ND2 3.35Å; V748-N750 PolarHBondContact O-N 3.31Å; N750-F752 VanDerWaalsContact C-N 3.32Å; N750-F752 PolarHBondContact O-N 3.28Å; N750-I753 PolarHBondContact O-N 3.49Å; N750-M754 WeakPolarHBondContact O-CG 3.43Å; N750-M754 PolarHBondContact O-N 3.28Å; N750-M844 HydrophobicContact CB-CE 4.34Å
751	A	92.6	Very high	91.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60	-43.3	174.7	0	0	0	0	0	111.4	V747 V748 A755 I841 M844	V747-A751 WeakPolarHBondContact O-CB 3.33Å; V747-A751 PolarHBondContact O-N 2.94Å; V747-A751 VanDerWaalsContact O-N 3.12Å; V748-A751 PolarHBondContact O-N 2.97Å; A751-A755 WeakPolarHBondContact O-CB 3.14Å; A751-A755 PolarHBondContact O-N 3.08Å; A751-I841 HydrophobicContact CB-CG1 4.49Å; A751-I841 HydrophobicContact CB-CG2 4.26Å; A751-M844 HydrophobicContact CB-CB 4.42Å; A751-M844 HydrophobicContact CB-CG 4.35Å; A751-M844 HydrophobicContact CB-SD 3.91Å
752	F	93.1	Very high	91.1	Very high	71 Å²	71	20.1 Å²	20.1	31%	0.311	10%	0.104	S	C	.	.	H	α-helix	trans	-68.7	-34.4	174.3	-86.3	-108.9	0	0	0	113.2	F579 V748 T749 N750 A755 F756 I841	F579-F752 HydrophobicContact CD1-CB 4.39Å; F579-F752 HydrophobicContact CE1-CB 3.6Å; F579-F752 HydrophobicContact CZ-CB 3.75Å; V748-F752 HydrophobicContact CG1-CD2 3.85Å; V748-F752 HydrophobicContact CG1-CE2 3.86Å; V748-F752 VanDerWaalsContact O-CD2 3.32Å; V748-F752 WeakPolarHBondContact O-CD2 3.45Å; V748-F752 PolarHBondContact O-N 3.33Å; T749-F752 PolarHBondContact O-N 2.87Å; N750-F752 VanDerWaalsContact C-N 3.32Å; N750-F752 PolarHBondContact O-N 3.28Å; F752-A755 PolarHBondContact O-N 3.44Å; F752-F756 HydrophobicContact CB-CD2 4.45Å; F752-F756 AromaticContact CD1-CD2 3.72Å; F752-F756 HydrophobicContact CD1-CD2 3.72Å; F752-F756 AromaticContact CD1-CE2 3.66Å; F752-F756 HydrophobicContact CD1-CE2 3.66Å; F752-F756 HydrophobicContact CE1-CD2 4.37Å; F752-F756 AromaticContact CE1-CE2 3.85Å; F752-F756 HydrophobicContact CE1-CE2 3.85Å; F752-F756 HydrophobicContact CG-CD2 4.34Å; F752-F756 HydrophobicContact CG-CE2 4.46Å; F752-F756 WeakPolarHBondContact O-CB 3.39Å; F752-F756 PolarHBondContact O-N 3.13Å; F752-I841 HydrophobicContact CD1-CD1 4.42Å; F752-I841 HydrophobicContact CD2-CD1 4.1Å; F752-I841 HydrophobicContact CD2-CG1 4.45Å; F752-I841 HydrophobicContact CD2-CG2 4.07Å; F752-I841 HydrophobicContact CE1-CD1 4.38Å; F752-I841 HydrophobicContact CE2-CD1 4.08Å; F752-I841 HydrophobicContact CE2-CG2 3.75Å; F752-I841 HydrophobicContact CG-CD1 4.29Å; F752-I841 HydrophobicContact CZ-CD1 4.22Å
753	I	91.9	Very high	90.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	I	π-helix	trans	-64.1	-48.5	174.5	-72.7	167.5	0	0	0	110.4	A578 F579 L612 F691 A693 T749 N750 A755 T757 S758	A578-I753 HydrophobicContact CB-CG1 4.42Å; F579-I753 HydrophobicContact CE1-CG1 3.74Å; F579-I753 HydrophobicContact CZ-CG1 3.92Å; L612-I753 HydrophobicContact CD1-CG2 4.04Å; F691-I753 HydrophobicContact CB-CD1 4.42Å; F691-I753 HydrophobicContact CD1-CD1 3.84Å; A693-I753 HydrophobicContact CB-CB 4.33Å; A693-I753 HydrophobicContact CB-CG2 3.86Å; T749-I753 HydrophobicContact CG2-CD1 3.96Å; T749-I753 HydrophobicContact CG2-CG1 4.49Å; T749-I753 VanDerWaalsContact O-CG1 3.3Å; T749-I753 WeakPolarHBondContact O-CG1 3.27Å; T749-I753 PolarHBondContact O-N 2.99Å; N750-I753 PolarHBondContact O-N 3.49Å; I753-A755 VanDerWaalsContact C-N 3.33Å; I753-A755 PolarHBondContact O-N 3.41Å; I753-T757 WeakPolarHBondContact O-CA 3.44Å; I753-T757 VanDerWaalsContact O-CB 3.29Å; I753-T757 WeakPolarHBondContact O-CB 3.25Å; I753-T757 PolarHBondContact O-N 2.96Å; I753-S758 PolarHBondContact O-N 3.06Å
754	M	89.4	Confident	90.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.119	C	C	.	.	I	π-helix	trans	-68.1	-32.5	178.7	-66.2	-54.2	-74	0	0	112.5	I385 A693 N750 F840	I385-M754 HydrophobicContact CB-CE 4.49Å; I385-M754 HydrophobicContact CG1-CE 3.74Å; A693-M754 HydrophobicContact CB-CG 3.9Å; A693-M754 HydrophobicContact CB-SD 3.77Å; N750-M754 WeakPolarHBondContact O-CG 3.43Å; N750-M754 PolarHBondContact O-N 3.28Å; M754-F840 HydrophobicContact CB-CE1 3.75Å; M754-F840 HydrophobicContact CB-CZ 4.15Å
755	A	91.2	Very high	90.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	I	π-helix	trans	-76.4	-41.7	176.2	0	0	0	0	0	113.4	A751 F752 I753 K837 F840 I841	A751-A755 WeakPolarHBondContact O-CB 3.14Å; A751-A755 PolarHBondContact O-N 3.08Å; F752-A755 PolarHBondContact O-N 3.44Å; I753-A755 VanDerWaalsContact C-N 3.33Å; I753-A755 PolarHBondContact O-N 3.41Å; A755-K837 HydrophobicContact CB-CB 4.26Å; A755-K837 WeakPolarHBondContact O-CD 3.26Å; A755-K837 WeakPolarHBondContact O-CE 3.44Å; A755-K837 VanDerWaalsContact O-CG 3.28Å; A755-K837 WeakPolarHBondContact O-CG 3.2Å; A755-K837 PolarHBondContact O-NZ 3.4Å; A755-F840 HydrophobicContact CB-CD1 4.42Å; A755-I841 HydrophobicContact CB-CD1 3.61Å; A755-I841 HydrophobicContact CB-CG1 3.51Å
756	F	89.3	Confident	90.8	Very high	61 Å²	61	18.3 Å²	18.3	27%	0.268	9%	0.091	S	C	.	.	I	π-helix	trans	-112.1	-29.3	-170.2	-68.8	-75	0	0	0	115.7	K583 F752 L834 M838 I841	K583-F756 PolarHBondContact NZ-O 3.24Å; F752-F756 HydrophobicContact CB-CD2 4.45Å; F752-F756 AromaticContact CD1-CD2 3.72Å; F752-F756 HydrophobicContact CD1-CD2 3.72Å; F752-F756 AromaticContact CD1-CE2 3.66Å; F752-F756 HydrophobicContact CD1-CE2 3.66Å; F752-F756 HydrophobicContact CE1-CD2 4.37Å; F752-F756 AromaticContact CE1-CE2 3.85Å; F752-F756 HydrophobicContact CE1-CE2 3.85Å; F752-F756 HydrophobicContact CG-CD2 4.34Å; F752-F756 HydrophobicContact CG-CE2 4.46Å; F752-F756 WeakPolarHBondContact O-CB 3.39Å; F752-F756 PolarHBondContact O-N 3.13Å; F756-L834 HydrophobicContact CE1-CD1 4.36Å; F756-M838 HydrophobicContact CZ-SD 4.2Å; F756-I841 HydrophobicContact CD2-CD1 4.32Å; F756-I841 HydrophobicContact CE2-CD1 3.63Å; F756-I841 HydrophobicContact CZ-CD1 4.42Å
757	T	88.4	Confident	90.7	Very high	10 Å²	10	20.1 Å²	20.1	6%	0.061	10%	0.1	C	C	.	.	I	π-helix	trans	-96.3	-42.1	-175.1	-40.9	0	0	0	0	112.2	A578 C611 L612 L615 I753	A578-T757 PolarHBondContact O-OG1 3.47Å; C611-T757 HydrophobicContact CB-CG2 4.39Å; L612-T757 HydrophobicContact CB-CG2 4.43Å; L612-T757 HydrophobicContact CD1-CG2 3.86Å; L615-T757 HydrophobicContact CD2-CG2 4.47Å; I753-T757 WeakPolarHBondContact O-CA 3.44Å; I753-T757 VanDerWaalsContact O-CB 3.29Å; I753-T757 WeakPolarHBondContact O-CB 3.25Å; I753-T757 PolarHBondContact O-N 2.96Å
758	S	88	Confident	90.7	Very high	5 Å²	5	29 Å²	29	4%	0.035	13%	0.134	C	C	.	.	S	Bend	trans	-68.8	155.2	170.8	163.9	0	0	0	0	112.2	D380 I753 M760	D380-S758 VanDerWaalsContact CG-OG 3.26Å; D380-S758 VanDerWaalsContact OD1-CB 3.31Å; D380-S758 WeakPolarHBondContact OD1-CB 3.34Å; D380-S758 PolarHBondContact OD1-OG 3.38Å; D380-S758 PolarHBondContact OD2-OG 2.93Å; I753-S758 PolarHBondContact O-N 3.06Å; S758-M760 WeakPolarHBondContact OG-CB 3.28Å; S758-M760 PolarHBondContact OG-N 3Å
759	D	86.3	Confident	90.6	Very high	34 Å²	34	29.5 Å²	29.5	18%	0.182	14%	0.142	C	C	.	.	S	Bend	trans	-101.3	16.3	172.2	-154.3	41.3	0	0	0	113	D380 P762 R763 Y779 R812	D380-D759 PolarHBondContact OD2-N 3.35Å; D759-P762 WeakPolarHBondContact OD1-CG 3.5Å; D759-R763 WeakPolarHBondContact O-CB 3.44Å; D759-R763 VanDerWaalsContact O-CG 3.28Å; D759-R763 WeakPolarHBondContact O-CG 3.34Å; D759-R763 PolarHBondContact O-N 3.37Å; D759-R763 PolarHBondContact O-NE 3.06Å; D759-Y779 PolarHBondContact OD1-OH 3.36Å; D759-Y779 PolarHBondContact OD2-OH 3.49Å; D759-R812 IonicContact OD1-NH2 2.74Å; D759-R812 PolarHBondContact OD1-NH2 2.79Å; D759-R812 IonicContact OD2-CZ 3.2Å; D759-R812 IonicContact OD2-NH2 2.77Å; D759-R812 PolarHBondContact OD2-NH2 3.46Å
760	M	87.2	Confident	90.3	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-50.3	-179.3	-169.2	62.7	69.7	0	0	112.7	D380 N381 E382 I385 S758 R763 M764	D380-M760 WeakPolarHBondContact O-CE 3.43Å; N381-M760 VanDerWaalsContact C-CE 3.42Å; N381-M760 WeakPolarHBondContact O-CE 3.34Å; E382-M760 HydrophobicContact CG-CE 4.35Å; E382-M760 HydrophobicContact CG-SD 4.42Å; I385-M760 HydrophobicContact CD1-CE 4.34Å; I385-M760 HydrophobicContact CD1-CG 3.73Å; I385-M760 HydrophobicContact CD1-SD 4.17Å; I385-M760 HydrophobicContact CG1-CG 4.24Å; S758-M760 WeakPolarHBondContact OG-CB 3.28Å; S758-M760 PolarHBondContact OG-N 3Å; M760-R763 WeakPolarHBondContact O-CB 3.47Å; M760-R763 PolarHBondContact O-N 2.94Å; M760-M764 HydrophobicContact CG-CE 3.88Å; M760-M764 HydrophobicContact CG-SD 4.22Å; M760-M764 WeakPolarHBondContact O-CG 3.46Å; M760-M764 PolarHBondContact O-N 3.39Å; M760-M764 HydrophobicContact SD-CE 3.99Å
761	I	90.5	Very high	90.3	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.046	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-43.6	-177.1	-49.9	-59.3	0	0	0	112.4	R763 M764 V765 A836 K837 F840	I761-R763 PolarHBondContact O-N 3.14Å; I761-M764 PolarHBondContact O-N 3.02Å; I761-V765 HydrophobicContact CG2-CG2 4.3Å; I761-V765 WeakPolarHBondContact O-CG2 3.2Å; I761-V765 PolarHBondContact O-N 2.77Å; I761-A836 HydrophobicContact CG2-CB 3.92Å; I761-K837 HydrophobicContact CB-CG 4.01Å; I761-K837 HydrophobicContact CG1-CG 4.43Å; I761-K837 HydrophobicContact CG2-CG 3.8Å; I761-F840 HydrophobicContact CD1-CB 4.07Å; I761-F840 HydrophobicContact CD1-CD1 4.18Å; I761-F840 HydrophobicContact CD1-CD2 3.65Å; I761-F840 HydrophobicContact CD1-CE2 4.15Å; I761-F840 HydrophobicContact CD1-CG 3.67Å; I761-F840 HydrophobicContact CG1-CG 4.43Å
762	P	90.7	Very high	89.9	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-39.2	172.3	-26.1	37.5	0	0	0	114	D759 Y766 Y779 I833	D759-P762 WeakPolarHBondContact OD1-CG 3.5Å; P762-Y766 WeakPolarHBondContact O-CB 3.37Å; P762-Y766 PolarHBondContact O-N 2.7Å; P762-Y779 WeakPolarHBondContact CB-OH 3.43Å; P762-I833 HydrophobicContact CB-CD1 4.38Å; P762-I833 HydrophobicContact CB-CG2 4.47Å; P762-I833 HydrophobicContact CG-CG2 4.05Å
763	R	89.1	Confident	89.5	Confident	22 Å²	22	45.9 Å²	45.9	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-47.6	173.3	-77.3	-177.7	-74.6	159.6	-7.8	111.9	D380 D759 M760 I761 Y766 L767 M776 Y779	D380-R763 PolarHBondContact O-NH1 3.17Å; D380-R763 PolarHBondContact O-NH2 2.96Å; D380-R763 IonicContact OD1-NH2 2.71Å; D380-R763 IonicContact OD2-CZ 3.79Å; D380-R763 IonicContact OD2-NH2 3.83Å; D380-R763 PolarHBondContact OD2-NH2 3.1Å; D759-R763 WeakPolarHBondContact O-CB 3.44Å; D759-R763 VanDerWaalsContact O-CG 3.28Å; D759-R763 WeakPolarHBondContact O-CG 3.34Å; D759-R763 PolarHBondContact O-N 3.37Å; D759-R763 PolarHBondContact O-NE 3.06Å; M760-R763 WeakPolarHBondContact O-CB 3.47Å; M760-R763 PolarHBondContact O-N 2.94Å; I761-R763 PolarHBondContact O-N 3.14Å; R763-Y766 WeakPolarHBondContact O-CB 3.21Å; R763-Y766 PolarHBondContact O-N 3.1Å; R763-L767 PolarHBondContact O-N 3.39Å; R763-M776 HydrophobicContact CB-CE 3.95Å; R763-M776 HydrophobicContact CB-SD 4.32Å; R763-Y779 HydrophobicContact CG-CD1 4.26Å; R763-Y779 HydrophobicContact CG-CE1 3.72Å; R763-Y779 HydrophobicContact CG-CE2 4.11Å
764	M	89.3	Confident	89.1	Confident	60 Å²	60	50 Å²	50	30%	0.296	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-46.2	177	-71.8	-179.6	168.9	0	0	112.5	I385 M760 I761 Y766 L767 Y768	I385-M764 HydrophobicContact CD1-CE 3.59Å; M760-M764 HydrophobicContact CG-CE 3.88Å; M760-M764 HydrophobicContact CG-SD 4.22Å; M760-M764 WeakPolarHBondContact O-CG 3.46Å; M760-M764 PolarHBondContact O-N 3.39Å; M760-M764 HydrophobicContact SD-CE 3.99Å; I761-M764 PolarHBondContact O-N 3.02Å; M764-Y766 VanDerWaalsContact C-N 3.29Å; M764-Y766 PolarHBondContact O-N 3.45Å; M764-L767 PolarHBondContact O-N 3.23Å; M764-Y768 VanDerWaalsContact O-CD2 3.24Å; M764-Y768 WeakPolarHBondContact O-CD2 3.04Å; M764-Y768 PolarHBondContact O-N 3.16Å
765	V	93.1	Very high	89.1	Confident	15 Å²	15	51.5 Å²	51.5	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-36.8	177.6	172	0	0	0	0	111.1	I761 A769 Y770 I833 A836	I761-V765 HydrophobicContact CG2-CG2 4.3Å; I761-V765 WeakPolarHBondContact O-CG2 3.2Å; I761-V765 PolarHBondContact O-N 2.77Å; V765-A769 WeakPolarHBondContact O-CB 3.5Å; V765-A769 PolarHBondContact O-N 2.72Å; V765-A769 VanDerWaalsContact O-N 3.1Å; V765-Y770 HydrophobicContact CG1-CD2 4.13Å; V765-Y770 HydrophobicContact CG1-CE2 3.81Å; V765-Y770 WeakPolarHBondContact O-CD2 3.12Å; V765-I833 HydrophobicContact CB-CG1 4.07Å; V765-I833 HydrophobicContact CG1-CG1 3.7Å; V765-I833 HydrophobicContact CG2-CG1 4.47Å; V765-A836 HydrophobicContact CG2-CB 3.5Å
766	Y	91.9	Very high	88.8	Confident	20 Å²	20	53.8 Å²	53.8	8%	0.078	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-53.1	172	-179.3	-109.5	0	0	0	111.7	P762 R763 M764 Y768 Y770 S771 S777 Y779 N782	P762-Y766 WeakPolarHBondContact O-CB 3.37Å; P762-Y766 PolarHBondContact O-N 2.7Å; R763-Y766 WeakPolarHBondContact O-CB 3.21Å; R763-Y766 PolarHBondContact O-N 3.1Å; M764-Y766 VanDerWaalsContact C-N 3.29Å; M764-Y766 PolarHBondContact O-N 3.45Å; Y766-Y768 PolarHBondContact O-N 3.45Å; Y766-Y770 CarbonylContact O-C 3.57Å; Y766-Y770 WeakPolarHBondContact O-CA 3.26Å; Y766-Y770 PolarHBondContact O-N 3.16Å; Y766-S771 PolarHBondContact O-N 3.2Å; Y766-S777 PolarHBondContact OH-O 2.83Å; Y766-Y779 AromaticContact CD1-CD2 3.7Å; Y766-Y779 HydrophobicContact CD1-CD2 3.7Å; Y766-Y779 HydrophobicContact CD1-CG 4.22Å; Y766-Y779 HydrophobicContact CD2-CD2 4.39Å; Y766-Y779 HydrophobicContact CE1-CD2 4.44Å; Y766-Y779 AromaticContact CG-CD2 3.66Å; Y766-Y779 HydrophobicContact CG-CD2 3.66Å; Y766-Y779 HydrophobicContact CG-CE2 4.45Å; Y766-N782 HydrophobicContact CD2-CB 4.38Å; Y766-N782 VanDerWaalsContact CD2-ND2 3.28Å; Y766-N782 WeakPolarHBondContact CD2-ND2 3.44Å; Y766-N782 HydrophobicContact CE2-CB 3.84Å; Y766-N782 VanDerWaalsContact CE2-ND2 3.34Å; Y766-N782 WeakPolarHBondContact CE2-ND2 3.16Å
767	L	91.2	Very high	88.8	Confident	42 Å²	42	53.8 Å²	53.8	22%	0.22	28%	0.283	C	S	.	.	H	α-helix	trans	-53.3	-51.6	-178.3	-172	71.7	0	0	0	112	R763 M764 S771 A774 M776	R763-L767 PolarHBondContact O-N 3.39Å; M764-L767 PolarHBondContact O-N 3.23Å; L767-S771 PolarHBondContact O-OG 3.23Å; L767-A774 WeakPolarHBondContact CD1-O 3.45Å; L767-M776 HydrophobicContact CB-CE 3.93Å; L767-M776 HydrophobicContact CB-SD 4.34Å; L767-M776 HydrophobicContact CD1-CE 4.18Å; L767-M776 HydrophobicContact CD1-CG 4.32Å; L767-M776 HydrophobicContact CD1-SD 4.3Å; L767-M776 HydrophobicContact CD2-CE 4.12Å; L767-M776 HydrophobicContact CG-CE 4.31Å
768	Y	91.3	Very high	88.8	Confident	195 Å²	195	54.4 Å²	54.4	77%	0.765	29%	0.292	S	S	*	.	H	α-helix	trans	-84.6	-21.7	-172.3	-68.6	-64.4	0	0	0	115.5	M764 Y766	M764-Y768 VanDerWaalsContact O-CD2 3.24Å; M764-Y768 WeakPolarHBondContact O-CD2 3.04Å; M764-Y768 PolarHBondContact O-N 3.16Å; Y766-Y768 PolarHBondContact O-N 3.45Å
769	A	90.9	Very high	88.9	Confident	51 Å²	51	54.3 Å²	54.3	42%	0.421	29%	0.291	S	S	.	.	H	α-helix	trans	-128.8	-10.1	-171.8	0	0	0	0	0	116.1	V765	V765-A769 WeakPolarHBondContact O-CB 3.5Å; V765-A769 PolarHBondContact O-N 2.72Å; V765-A769 VanDerWaalsContact O-N 3.1Å
770	Y	89.6	Confident	89.1	Confident	83 Å²	83	53.2 Å²	53.2	33%	0.325	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.9	-15.2	-176.2	-63.2	-79.2	0	0	0	114.8	V765 Y766 Q829 H832	V765-Y770 HydrophobicContact CG1-CD2 4.13Å; V765-Y770 HydrophobicContact CG1-CE2 3.81Å; V765-Y770 WeakPolarHBondContact O-CD2 3.12Å; Y766-Y770 CarbonylContact O-C 3.57Å; Y766-Y770 WeakPolarHBondContact O-CA 3.26Å; Y766-Y770 PolarHBondContact O-N 3.16Å; Y770-Q829 HydrophobicContact CD2-CG 4.36Å; Y770-Q829 HydrophobicContact CE1-CB 4.31Å; Y770-Q829 HydrophobicContact CE1-CG 4.34Å; Y770-Q829 HydrophobicContact CE2-CB 4.45Å; Y770-Q829 HydrophobicContact CE2-CG 3.85Å; Y770-H832 AromaticContact CE2-ND1 3.55Å; Y770-H832 AromaticContact CZ-ND1 3.7Å; Y770-H832 PolarHBondContact OH-ND1 2.77Å; Y770-H832 VanDerWaalsContact OH-ND1 3.09Å
771	S	90.7	Very high	89.2	Confident	22 Å²	22	57.3 Å²	57.3	15%	0.154	31%	0.307	C	S	.	.			trans	-71.5	149.9	167.6	86.9	0	0	0	0	110.4	Y766 L767 A774 S775	Y766-S771 PolarHBondContact O-N 3.2Å; L767-S771 PolarHBondContact O-OG 3.23Å; S771-A774 WeakPolarHBondContact OG-CA 3.46Å; S771-A774 PolarHBondContact OG-N 3.47Å; S771-S775 WeakPolarHBondContact CB-O 3.31Å; S771-S775 PolarHBondContact OG-N 3.01Å
772	K	84.9	Confident	89.1	Confident	195 Å²	195	59.8 Å²	59.8	85%	0.848	32%	0.32	S	S	*	.	S	Bend	trans	-92.5	-35.6	176.3	-67	-177.5	178.8	-179.3	0	112.3
773	D	85.6	Confident	89.1	Confident	128 Å²	128	59.8 Å²	59.8	68%	0.684	32%	0.321	S	S	*	.	S	Bend	trans	-112.4	22.1	-167.5	-44.3	-64.3	0	0	0	111.9	S775	D773-S775 PolarHBondContact O-N 3.1Å
774	A	83.6	Confident	89.2	Confident	85 Å²	85	59.6 Å²	59.6	70%	0.702	32%	0.321	S	S	*	.	S	Bend	trans	52.6	35.5	-173.2	0	0	0	0	0	113.7	L767 S771	L767-A774 WeakPolarHBondContact CD1-O 3.45Å; S771-A774 WeakPolarHBondContact OG-CA 3.46Å; S771-A774 PolarHBondContact OG-N 3.47Å
775	S	88.1	Confident	89.3	Confident	35 Å²	35	57.2 Å²	57.2	25%	0.245	31%	0.311	C	S	.	.	S	Bend	trans	-126.3	159.3	-171.4	69.5	0	0	0	0	112.3	S771 D773 S777	S771-S775 WeakPolarHBondContact CB-O 3.31Å; S771-S775 PolarHBondContact OG-N 3.01Å; D773-S775 PolarHBondContact O-N 3.1Å; S775-S777 VanDerWaalsContact C-N 3.27Å; S775-S777 PolarHBondContact O-N 2.84Å; S775-S777 PolarHBondContact OG-OG 3.44Å
776	M	86	Confident	89.3	Confident	47 Å²	47	58.4 Å²	58.4	23%	0.232	32%	0.318	C	S	.	.			trans	-80.8	-1.6	175	-71.1	-66.9	-176.7	0	0	113.8	K337 R763 L767 G778 Y779	K337-M776 HydrophobicContact CB-CB 4.24Å; R763-M776 HydrophobicContact CB-CE 3.95Å; R763-M776 HydrophobicContact CB-SD 4.32Å; L767-M776 HydrophobicContact CB-CE 3.93Å; L767-M776 HydrophobicContact CB-SD 4.34Å; L767-M776 HydrophobicContact CD1-CE 4.18Å; L767-M776 HydrophobicContact CD1-CG 4.32Å; L767-M776 HydrophobicContact CD1-SD 4.3Å; L767-M776 HydrophobicContact CD2-CE 4.12Å; L767-M776 HydrophobicContact CG-CE 4.31Å; M776-G778 PolarHBondContact O-N 3Å; M776-Y779 VanDerWaalsContact O-CB 3.26Å; M776-Y779 WeakPolarHBondContact O-CB 3.44Å; M776-Y779 PolarHBondContact O-N 3.17Å
777	S	88.6	Confident	89.3	Confident	61 Å²	61	57.8 Å²	57.8	43%	0.427	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	126.3	-175.5	55.8	0	0	0	0	112	E341 Y766 S775	E341-S777 VanDerWaalsContact OE1-CA 3.3Å; E341-S777 WeakPolarHBondContact OE1-CA 3.33Å; Y766-S777 PolarHBondContact OH-O 2.83Å; S775-S777 VanDerWaalsContact C-N 3.27Å; S775-S777 PolarHBondContact O-N 2.84Å; S775-S777 PolarHBondContact OG-OG 3.44Å
778	G	88.3	Confident	89.3	Confident	24 Å²	24	57.7 Å²	57.7	25%	0.247	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.1	-1.5	-173.3	0	0	0	0	0	114.1	E341 M776 I780 N781 N782	E341-G778 PolarHBondContact OE1-N 3.35Å; M776-G778 PolarHBondContact O-N 3Å; G778-I780 VanDerWaalsContact C-N 3.34Å; G778-I780 PolarHBondContact O-N 2.91Å; G778-N781 PolarHBondContact O-N 3.48Å; G778-N782 WeakPolarHBondContact O-CB 3.36Å; G778-N782 PolarHBondContact O-N 3.43Å
779	Y	90.3	Very high	89.1	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-57.5	-43.4	-178.9	175.6	-110.4	0	0	0	112.6	D759 P762 R763 Y766 M776 N781 N782 S783	D759-Y779 PolarHBondContact OD1-OH 3.36Å; D759-Y779 PolarHBondContact OD2-OH 3.49Å; P762-Y779 WeakPolarHBondContact CB-OH 3.43Å; R763-Y779 HydrophobicContact CG-CD1 4.26Å; R763-Y779 HydrophobicContact CG-CE1 3.72Å; R763-Y779 HydrophobicContact CG-CE2 4.11Å; Y766-Y779 AromaticContact CD1-CD2 3.7Å; Y766-Y779 HydrophobicContact CD1-CD2 3.7Å; Y766-Y779 HydrophobicContact CD1-CG 4.22Å; Y766-Y779 HydrophobicContact CD2-CD2 4.39Å; Y766-Y779 HydrophobicContact CE1-CD2 4.44Å; Y766-Y779 AromaticContact CG-CD2 3.66Å; Y766-Y779 HydrophobicContact CG-CD2 3.66Å; Y766-Y779 HydrophobicContact CG-CE2 4.45Å; M776-Y779 VanDerWaalsContact O-CB 3.26Å; M776-Y779 WeakPolarHBondContact O-CB 3.44Å; M776-Y779 PolarHBondContact O-N 3.17Å; Y779-N781 VanDerWaalsContact C-N 3.34Å; Y779-N781 PolarHBondContact O-N 3.18Å; Y779-N782 PolarHBondContact O-N 3.46Å; Y779-S783 VanDerWaalsContact O-CB 3.32Å; Y779-S783 WeakPolarHBondContact O-CB 3.3Å; Y779-S783 PolarHBondContact O-N 3.3Å; Y779-S783 PolarHBondContact O-OG 2.86Å
780	I	89.9	Confident	88.8	Confident	12 Å²	12	52 Å²	52	6%	0.062	30%	0.298	C	S	.	.	H	α-helix	trans	-68.9	-36.3	-179	-60.1	-60.3	0	0	0	111.2	E341 I342 I351 L366 G778 N782 S783 L784	E341-I780 HydrophobicContact CB-CB 4.17Å; E341-I780 HydrophobicContact CB-CG1 3.73Å; E341-I780 VanDerWaalsContact OE2-CB 3.31Å; E341-I780 WeakPolarHBondContact OE2-CB 3.2Å; E341-I780 WeakPolarHBondContact OE2-CG1 3.31Å; E341-I780 PolarHBondContact OE2-N 3.49Å; E341-I780 VanDerWaalsContact OE2-N 3.1Å; I342-I780 HydrophobicContact CD1-CD1 3.68Å; I342-I780 HydrophobicContact CD1-CG1 4.41Å; I342-I780 HydrophobicContact CG1-CD1 3.82Å; I342-I780 HydrophobicContact CG1-CG1 4.03Å; I342-I780 HydrophobicContact CG1-CG2 4.27Å; I351-I780 HydrophobicContact CD1-CG2 4.23Å; L366-I780 HydrophobicContact CD2-CG2 3.46Å; L366-I780 VanDerWaalsContact CD2-CG2 3.46Å; G778-I780 VanDerWaalsContact C-N 3.34Å; G778-I780 PolarHBondContact O-N 2.91Å; I780-N782 VanDerWaalsContact C-N 3.33Å; I780-N782 PolarHBondContact O-N 3.28Å; I780-S783 PolarHBondContact O-OG 2.78Å; I780-L784 HydrophobicContact CG2-CD1 4.13Å; I780-L784 WeakPolarHBondContact O-CD1 3.48Å; I780-L784 WeakPolarHBondContact O-CG 3.35Å
781	N	89.6	Confident	88.6	Confident	91 Å²	91	52 Å²	52	49%	0.487	30%	0.301	S	S	.	.	H	α-helix	trans	-68.1	-32.7	175.9	-170.7	26.4	0	0	0	112.3	G778 Y779 R810	G778-N781 PolarHBondContact O-N 3.48Å; Y779-N781 VanDerWaalsContact C-N 3.34Å; Y779-N781 PolarHBondContact O-N 3.18Å; N781-R810 PolarHBondContact O-NH1 3.36Å; N781-R810 VanDerWaalsContact OD1-CZ 3.3Å; N781-R810 PolarHBondContact OD1-NH1 2.89Å; N781-R810 PolarHBondContact OD1-NH2 3.2Å
782	N	89.6	Confident	88.2	Confident	61 Å²	61	51.5 Å²	51.5	33%	0.326	30%	0.296	S	S	.	.	H	α-helix	trans	-87.3	-26.7	-178.1	-169.9	58.1	0	0	0	114.2	Y766 G778 Y779 I780 L784 Q829	Y766-N782 HydrophobicContact CD2-CB 4.38Å; Y766-N782 VanDerWaalsContact CD2-ND2 3.28Å; Y766-N782 WeakPolarHBondContact CD2-ND2 3.44Å; Y766-N782 HydrophobicContact CE2-CB 3.84Å; Y766-N782 VanDerWaalsContact CE2-ND2 3.34Å; Y766-N782 WeakPolarHBondContact CE2-ND2 3.16Å; G778-N782 WeakPolarHBondContact O-CB 3.36Å; G778-N782 PolarHBondContact O-N 3.43Å; Y779-N782 PolarHBondContact O-N 3.46Å; I780-N782 VanDerWaalsContact C-N 3.33Å; I780-N782 PolarHBondContact O-N 3.28Å; N782-L784 VanDerWaalsContact C-N 3.31Å; N782-L784 PolarHBondContact O-N 3Å; N782-Q829 PolarHBondContact ND2-NE2 2.88Å
783	S	90	Very high	88.1	Confident	5 Å²	5	46.8 Å²	46.8	4%	0.035	28%	0.278	C	S	.	.	S	Bend	trans	-83.3	-2.4	-179.4	54.6	0	0	0	0	114.6	Y779 I780	Y779-S783 VanDerWaalsContact O-CB 3.32Å; Y779-S783 WeakPolarHBondContact O-CB 3.3Å; Y779-S783 PolarHBondContact O-N 3.3Å; Y779-S783 PolarHBondContact O-OG 2.86Å; I780-S783 PolarHBondContact O-OG 2.78Å
784	L	90.8	Very high	87.9	Confident	17 Å²	17	45.3 Å²	45.3	9%	0.089	28%	0.275	C	S	.	.	S	Bend	trans	-116.9	110.1	-175.7	-68.1	178.8	0	0	0	112.2	I351 M353 L366 I780 N782 R810 R812	I351-L784 HydrophobicContact CD1-CD1 4.46Å; I351-L784 HydrophobicContact CG2-CD1 4.05Å; M353-L784 HydrophobicContact CE-CD2 3.91Å; M353-L784 HydrophobicContact SD-CD1 4.01Å; M353-L784 HydrophobicContact SD-CD2 4.25Å; L366-L784 HydrophobicContact CD2-CD1 3.89Å; I780-L784 HydrophobicContact CG2-CD1 4.13Å; I780-L784 WeakPolarHBondContact O-CD1 3.48Å; I780-L784 WeakPolarHBondContact O-CG 3.35Å; N782-L784 VanDerWaalsContact C-N 3.31Å; N782-L784 PolarHBondContact O-N 3Å; L784-R810 HydrophobicContact CB-CB 4.29Å; L784-R810 PolarHBondContact O-NH1 3.4Å; L784-R812 HydrophobicContact CD2-CB 4.16Å
785	S	91.9	Very high	87.6	Confident	11 Å²	11	44.6 Å²	44.6	8%	0.077	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	147.6	172.7	-73.3	0	0	0	0	112.4	R810 Y811 D813 R815	S785-R810 VanDerWaalsContact O-CA 3.25Å; S785-R810 WeakPolarHBondContact O-CA 3.36Å; S785-Y811 PolarHBondContact N-O 3.49Å; S785-Y811 WeakPolarHBondContact O-CD1 3.47Å; S785-Y811 PolarHBondContact O-N 2.91Å; S785-D813 WeakPolarHBondContact CB-O 3.48Å; S785-D813 PolarHBondContact N-O 3.31Å; S785-D813 VanDerWaalsContact OG-C 3.3Å; S785-D813 PolarHBondContact OG-O 2.96Å; S785-R815 PolarHBondContact OG-N 3.33Å; S785-R815 PolarHBondContact OG-O 2.82Å
786	V	92.8	Very high	87.1	Confident	39 Å²	39	43.4 Å²	43.4	24%	0.236	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138.6	177.2	-177.6	0	0	0	0	110.2	T808 R810 P818	V786-T808 HydrophobicContact CG1-CG2 3.84Å; V786-R810 HydrophobicContact CG2-CG 4.46Å; V786-P818 HydrophobicContact CG1-CG 4.3Å; V786-P818 WeakPolarHBondContact O-CD 3.39Å
787	Y	92.1	Very high	86.8	Confident	7 Å²	7	45.1 Å²	45.1	3%	0.027	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.8	173.9	-159	-98	0	0	0	111.2	Y587 P588 G589 Q791 I792 T808 C809 Y811 Y824	Y587-Y787 HydrophobicContact CD2-CE2 4.02Å; Y587-Y787 HydrophobicContact CE2-CE2 4.34Å; P588-Y787 HydrophobicContact CB-CD1 3.75Å; P588-Y787 HydrophobicContact CB-CD2 4.1Å; P588-Y787 HydrophobicContact CB-CE1 3.89Å; P588-Y787 HydrophobicContact CB-CE2 4.26Å; P588-Y787 HydrophobicContact CB-CG 3.88Å; P588-Y787 HydrophobicContact CG-CD1 4.35Å; P588-Y787 HydrophobicContact CG-CD2 4.2Å; P588-Y787 HydrophobicContact CG-CG 4.02Å; G589-Y787 VanDerWaalsContact CA-OH 3.22Å; G589-Y787 WeakPolarHBondContact CA-OH 3.37Å; G589-Y787 PolarHBondContact N-OH 2.94Å; Y787-Q791 HydrophobicContact CE1-CB 4.13Å; Y787-Q791 PolarHBondContact OH-O 3.21Å; Y787-Q791 VanDerWaalsContact OH-O 3.13Å; Y787-I792 HydrophobicContact CD1-CG1 3.9Å; Y787-I792 HydrophobicContact CE1-CG1 3.63Å; Y787-T808 CarbonylContact O-C 3.58Å; Y787-T808 WeakPolarHBondContact O-CA 3.26Å; Y787-T808 VanDerWaalsContact O-CB 3.29Å; Y787-T808 WeakPolarHBondContact O-CB 3.31Å; Y787-C809 PolarHBondContact N-O 2.68Å; Y787-C809 PolarHBondContact O-N 2.96Å; Y787-Y811 HydrophobicContact CD2-CE1 4.12Å; Y787-Y811 HydrophobicContact CG-CE1 4.37Å; Y787-Y824 AromaticContact CD2-CD1 3.77Å; Y787-Y824 HydrophobicContact CD2-CD1 3.77Å; Y787-Y824 AromaticContact CD2-CE1 3.3Å; Y787-Y824 HydrophobicContact CD2-CE1 3.3Å; Y787-Y824 HydrophobicContact CD2-CE2 4.43Å; Y787-Y824 HydrophobicContact CD2-CG 4.49Å; Y787-Y824 AromaticContact CD2-CZ 3.67Å; Y787-Y824 AromaticContact CE2-CD1 3.81Å; Y787-Y824 HydrophobicContact CE2-CD1 3.81Å; Y787-Y824 HydrophobicContact CE2-CD2 4.08Å; Y787-Y824 AromaticContact CE2-CE1 3.47Å; Y787-Y824 HydrophobicContact CE2-CE1 3.47Å; Y787-Y824 VanDerWaalsContact CE2-CE1 3.47Å; Y787-Y824 AromaticContact CE2-CE2 3.75Å; Y787-Y824 HydrophobicContact CE2-CE2 3.75Å; Y787-Y824 HydrophobicContact CE2-CG 4.09Å; Y787-Y824 AromaticContact CE2-CZ 3.41Å; Y787-Y824 VanDerWaalsContact CE2-CZ 3.41Å; Y787-Y824 HydrophobicContact CG-CE1 4.24Å
788	N	91.3	Very high	86.3	Confident	41 Å²	41	42.9 Å²	42.9	22%	0.219	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.5	174.8	-173.6	-3.2	0	0	0	110.6	S790 Q791 T807 P818 Y824	N788-S790 PolarHBondContact ND2-OG 3.18Å; N788-S790 PolarHBondContact O-N 2.77Å; N788-S790 PolarHBondContact OD1-N 3.49Å; N788-S790 PolarHBondContact OD1-OG 2.75Å; N788-Q791 HydrophobicContact CB-CG 4.4Å; N788-Q791 PolarHBondContact O-N 2.71Å; N788-Q791 VanDerWaalsContact O-N 3.09Å; N788-T807 PolarHBondContact OD1-O 3.38Å; N788-P818 HydrophobicContact CB-CB 4.31Å; N788-Y824 PolarHBondContact N-OH 3.11Å
789	I	87.1	Confident	85.4	Confident	26 Å²	26	47 Å²	47	13%	0.133	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-62.5	-32.5	-173	-65.6	172.1	0	0	0	111.5	F363 Q791 I792 T807 C809	F363-I789 HydrophobicContact CE1-CD1 4Å; F363-I789 HydrophobicContact CE1-CG1 4.15Å; F363-I789 HydrophobicContact CZ-CD1 4.13Å; F363-I789 HydrophobicContact CZ-CG1 4.29Å; F363-I789 HydrophobicContact CZ-CG2 3.94Å; I789-Q791 PolarHBondContact O-N 2.7Å; I789-Q791 VanDerWaalsContact O-N 3.1Å; I789-I792 HydrophobicContact CG2-CD1 4.35Å; I789-I792 WeakPolarHBondContact O-CG1 3.35Å; I789-I792 PolarHBondContact O-N 2.83Å; I789-T807 PolarHBondContact N-O 3.02Å; I789-C809 HydrophobicContact CD1-CB 4.25Å; I789-C809 HydrophobicContact CG1-CB 4.12Å
790	S	83.8	Confident	84.2	Confident	99 Å²	99	52.3 Å²	52.3	69%	0.692	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-69.3	-5.3	179.1	66.7	0	0	0	0	115	N788	N788-S790 PolarHBondContact ND2-OG 3.18Å; N788-S790 PolarHBondContact O-N 2.77Å; N788-S790 PolarHBondContact OD1-N 3.49Å; N788-S790 PolarHBondContact OD1-OG 2.75Å
791	Q	85	Confident	82.7	Confident	83 Å²	83	57.5 Å²	57.5	39%	0.388	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-106.1	2.1	178.8	-64.7	178.4	-22	0	0	113.1	Y787 N788 I789 Y824	Y787-Q791 HydrophobicContact CE1-CB 4.13Å; Y787-Q791 PolarHBondContact OH-O 3.21Å; Y787-Q791 VanDerWaalsContact OH-O 3.13Å; N788-Q791 HydrophobicContact CB-CG 4.4Å; N788-Q791 PolarHBondContact O-N 2.71Å; N788-Q791 VanDerWaalsContact O-N 3.09Å; I789-Q791 PolarHBondContact O-N 2.7Å; I789-Q791 VanDerWaalsContact O-N 3.1Å; Q791-Y824 VanDerWaalsContact OE1-CE2 3.25Å; Q791-Y824 PolarHBondContact OE1-OH 2.03Å
792	I	83.8	Confident	81.2	Confident	12 Å²	12	58 Å²	58	6%	0.062	30%	0.303	C	S	.	.	S	Bend	trans	-69.7	132.1	172.1	-59.4	176.5	0	0	0	108.9	F363 Y787 I789 N796 M797	F363-I792 HydrophobicContact CZ-CD1 4.45Å; Y787-I792 HydrophobicContact CD1-CG1 3.9Å; Y787-I792 HydrophobicContact CE1-CG1 3.63Å; I789-I792 HydrophobicContact CG2-CD1 4.35Å; I789-I792 WeakPolarHBondContact O-CG1 3.35Å; I789-I792 PolarHBondContact O-N 2.83Å; I792-N796 HydrophobicContact CG2-CB 4.09Å; I792-M797 HydrophobicContact CG2-CB 4.24Å
793	H	82.4	Confident	79.5	Confident	97 Å²	97	62.8 Å²	62.8	45%	0.449	32%	0.323	S	S	.	.			trans	-61.1	136.9	177.2	-173.1	-99.1	0	0	0	110.8	D795 N796 M797	H793-D795 IonicContact CE1-OD2 2.69Å; H793-D795 PolarHBondContact ND1-N 3.43Å; H793-D795 PolarHBondContact O-N 2.7Å; H793-D795 VanDerWaalsContact O-N 3.09Å; H793-N796 WeakPolarHBondContact O-CA 2.91Å; H793-N796 PolarHBondContact O-N 2.96Å; H793-M797 PolarHBondContact O-N 2.98Å
794	P	80.8	Confident	78.1	Confident	97 Å²	97	67.3 Å²	67.3	63%	0.63	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-21	-172.2	22.5	-35	0	0	0	114.9	N796	P794-N796 VanDerWaalsContact C-N 3.27Å; P794-N796 PolarHBondContact O-N 3.38Å
795	D	76.7	Confident	76.7	Confident	69 Å²	69	72.3 Å²	72.3	37%	0.369	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.4	170.5	-88.4	-43.5	0	0	0	114.1	K359 H793	K359-D795 VanDerWaalsContact CE-CA 3.44Å; K359-D795 WeakPolarHBondContact CE-O 3.31Å; K359-D795 WeakPolarHBondContact CE-OD1 3.27Å; K359-D795 WeakPolarHBondContact CG-O 3.24Å; K359-D795 IonicContact NZ-OD1 3.47Å; K359-D795 PolarHBondContact NZ-OD1 3.29Å; H793-D795 IonicContact CE1-OD2 2.69Å; H793-D795 PolarHBondContact ND1-N 3.43Å; H793-D795 PolarHBondContact O-N 2.7Å; H793-D795 VanDerWaalsContact O-N 3.09Å
796	N	78.8	Confident	75.6	Confident	10 Å²	10	74.9 Å²	74.9	5%	0.053	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-13.8	-174.2	-55.8	-0.2	0	0	0	111.9	Y591 Y593 I792 H793 P794	Y591-N796 HydrophobicContact CD2-CB 4.42Å; Y591-N796 WeakPolarHBondContact CD2-ND2 3.42Å; Y591-N796 HydrophobicContact CE2-CB 4.21Å; Y593-N796 PolarHBondContact OH-ND2 2.95Å; Y593-N796 PolarHBondContact OH-OD1 3.29Å; I792-N796 HydrophobicContact CG2-CB 4.09Å; H793-N796 WeakPolarHBondContact O-CA 2.91Å; H793-N796 PolarHBondContact O-N 2.96Å; P794-N796 VanDerWaalsContact C-N 3.27Å; P794-N796 PolarHBondContact O-N 3.38Å
797	M	79.9	Confident	75.1	Confident	84 Å²	84	77.9 Å²	77.9	41%	0.414	42%	0.417	S	S	.	.	S	Bend	trans	-72.2	141.1	177.9	-157.5	169.2	84.9	0	0	110.8	K359 I792 H793	K359-M797 WeakPolarHBondContact CA-O 3.37Å; I792-M797 HydrophobicContact CG2-CB 4.24Å; H793-M797 PolarHBondContact O-N 2.98Å
798	P	77.3	Confident	75	Confident	13 Å²	13	80.2 Å²	80.2	8%	0.084	43%	0.432	C	S	.	.			trans	-64.3	149.1	178	22.9	-32.6	0	0	0	113.3	K359 F363 E800	K359-P798 WeakPolarHBondContact O-CA 3.42Å; F363-P798 HydrophobicContact CD2-CG 4.09Å; F363-P798 HydrophobicContact CE2-CG 3.58Å; F363-P798 HydrophobicContact CZ-CG 4.28Å; P798-E800 PolarHBondContact O-N 2.93Å
799	E	69.9	Low	75	Confident	112 Å²	112	78.3 Å²	78.3	52%	0.523	42%	0.422	S	S	.	.	S	Bend	trans	-71.6	-14.3	175	-71.9	166.8	-175.3	0	0	113.8	K359 K497	K359-E799 HydrophobicContact CB-CG 4.1Å; K359-E799 PolarHBondContact O-N 3.32Å; K497-E799 IonicContact NZ-OE2 2.72Å; K497-E799 PolarHBondContact NZ-OE2 3.38Å
800	E	65	Low	75.2	Confident	112 Å²	112	79.7 Å²	79.7	52%	0.523	43%	0.426	S	S	.	.	S	Bend	trans	-90.5	122.5	174	-70.3	-171.8	144.7	0	0	110.3	P798 W802	P798-E800 PolarHBondContact O-N 2.93Å; E800-W802 PolarHBondContact O-N 2.59Å
801	N	57.8	Low	75.4	Confident	122 Å²	122	76 Å²	76	65%	0.652	40%	0.397	S	S	*	.			trans	-64.5	103.9	172.1	-70.1	-19.8	0	0	0	109.8	H803	N801-H803 VanDerWaalsContact C-N 3.31Å; N801-H803 VanDerWaalsContact CB-NE2 3.27Å; N801-H803 WeakPolarHBondContact CB-NE2 3.42Å; N801-H803 PolarHBondContact O-CD2 3.46Å; N801-H803 PolarHBondContact O-N 3.18Å
802	W	59	Low	75.5	Confident	100 Å²	100	77.9 Å²	77.9	38%	0.379	40%	0.4	S	S	.	.			trans	-72	85.3	174.7	-177	-107	0	0	0	110.4	L352 F363 E800 N804 T806	L352-W802 HydrophobicContact CD1-CH2 4.4Å; L352-W802 HydrophobicContact CD1-CZ2 3.73Å; L352-W802 HydrophobicContact CD2-CZ2 4.48Å; F363-W802 HydrophobicContact CB-CD2 4.47Å; F363-W802 HydrophobicContact CD2-CB 3.88Å; F363-W802 HydrophobicContact CD2-CD2 4.31Å; F363-W802 AromaticContact CD2-CG 3.92Å; F363-W802 HydrophobicContact CD2-CG 3.92Å; F363-W802 HydrophobicContact CE2-CB 4.06Å; F363-W802 HydrophobicContact CE2-CG 4.42Å; E800-W802 PolarHBondContact O-N 2.59Å; W802-N804 HydrophobicContact CZ2-CB 4.38Å; W802-N804 WeakPolarHBondContact CZ2-ND2 3.3Å; W802-N804 PolarHBondContact O-N 2.86Å; W802-T806 PolarHBondContact NE1-OG1 2.93Å
803	H	53.9	Low	75.7	Confident	163 Å²	163	78.7 Å²	78.7	76%	0.755	41%	0.405	S	S	*	.			trans	-74.7	54.4	-176.5	-72.6	-75.9	0	0	0	113.6	N801	N801-H803 VanDerWaalsContact C-N 3.31Å; N801-H803 VanDerWaalsContact CB-NE2 3.27Å; N801-H803 WeakPolarHBondContact CB-NE2 3.42Å; N801-H803 PolarHBondContact O-CD2 3.46Å; N801-H803 PolarHBondContact O-N 3.18Å
804	N	59.3	Low	76.2	Confident	100 Å²	100	75.4 Å²	75.4	54%	0.535	39%	0.389	S	S	.	.	S	Bend	trans	-129.1	149.8	172.4	-86.3	-53.7	0	0	0	111	W802 T806	W802-N804 HydrophobicContact CZ2-CB 4.38Å; W802-N804 WeakPolarHBondContact CZ2-ND2 3.3Å; W802-N804 PolarHBondContact O-N 2.86Å; N804-T806 PolarHBondContact O-N 2.74Å
805	S	61.3	Low	76.7	Confident	121 Å²	121	72.4 Å²	72.4	85%	0.846	37%	0.365	S	S	*	.	S	Bend	trans	-70.7	2.8	-173.7	50	0	0	0	0	115.7	T807	S805-T807 PolarHBondContact O-N 2.87Å
806	T	69.8	Low	77.5	Confident	65 Å²	65	70.5 Å²	70.5	40%	0.399	35%	0.352	S	S	.	.			trans	-72.7	108.8	175.7	47.7	0	0	0	0	111.1	W802 N804 T808	W802-T806 PolarHBondContact NE1-OG1 2.93Å; N804-T806 PolarHBondContact O-N 2.74Å; T806-T808 VanDerWaalsContact C-N 3.34Å
807	T	83.1	Confident	78.2	Confident	103 Å²	103	73.1 Å²	73.1	63%	0.632	37%	0.37	S	S	*	.			trans	-80.9	-9.7	178.3	52.4	0	0	0	0	114.4	N788 I789 S805	N788-T807 PolarHBondContact OD1-O 3.38Å; I789-T807 PolarHBondContact N-O 3.02Å; S805-T807 PolarHBondContact O-N 2.87Å
808	T	89.4	Confident	78.7	Confident	56 Å²	56	71 Å²	71	34%	0.344	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.9	-175.3	54.2	0	0	0	0	112.3	V786 Y787 T806	V786-T808 HydrophobicContact CG1-CG2 3.84Å; Y787-T808 CarbonylContact O-C 3.58Å; Y787-T808 WeakPolarHBondContact O-CA 3.26Å; Y787-T808 VanDerWaalsContact O-CB 3.29Å; Y787-T808 WeakPolarHBondContact O-CB 3.31Å; T806-T808 VanDerWaalsContact C-N 3.34Å
809	C	90.6	Very high	79.2	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.007	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	158	168.3	68.6	0	0	0	0	109.8	C354 F363 Y787 I789	C354-C809 VanDerWaalsContact CA-SG 3.59Å; C354-C809 HydrophobicContact CB-CB 4.04Å; C354-C809 WeakPolarHBondContact CB-SG 3.34Å; C354-C809 WeakPolarHBondContact SG-CB 3.46Å; C354-C809 CovalentContact SG-SG 2.05Å; C354-C809 PolarHBondContact SG-SG 2.91Å; F363-C809 HydrophobicContact CD1-CB 4.08Å; F363-C809 HydrophobicContact CE1-CB 3.96Å; Y787-C809 PolarHBondContact N-O 2.68Å; Y787-C809 PolarHBondContact O-N 2.96Å; I789-C809 HydrophobicContact CD1-CB 4.25Å; I789-C809 HydrophobicContact CG1-CB 4.12Å
810	R	91.2	Very high	80.2	Confident	55 Å²	55	72.2 Å²	72.2	21%	0.208	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	154.8	177.9	-64.4	-153.6	-167.7	-161.2	12.8	113.4	I351 L352 M353 C354 N781 L784 S785 V786	I351-R810 HydrophobicContact CG2-CB 4.27Å; I351-R810 HydrophobicContact CG2-CG 4.3Å; L352-R810 PolarHBondContact O-N 3.1Å; M353-R810 WeakPolarHBondContact CA-O 3.35Å; M353-R810 HydrophobicContact SD-CB 3.68Å; C354-R810 PolarHBondContact N-O 2.91Å; C354-R810 PolarHBondContact SG-O 3.41Å; N781-R810 PolarHBondContact O-NH1 3.36Å; N781-R810 VanDerWaalsContact OD1-CZ 3.3Å; N781-R810 PolarHBondContact OD1-NH1 2.89Å; N781-R810 PolarHBondContact OD1-NH2 3.2Å; L784-R810 HydrophobicContact CB-CB 4.29Å; L784-R810 PolarHBondContact O-NH1 3.4Å; S785-R810 VanDerWaalsContact O-CA 3.25Å; S785-R810 WeakPolarHBondContact O-CA 3.36Å; V786-R810 HydrophobicContact CG2-CG 4.46Å
811	Y	89.4	Confident	81.4	Confident	22 Å²	22	75.7 Å²	75.7	9%	0.086	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	155.9	178.3	66.1	-70.6	0	0	0	111.2	P588 S785 Y787 D813 R815	P588-Y811 HydrophobicContact CG-CD1 4.16Å; P588-Y811 HydrophobicContact CG-CD2 4.36Å; P588-Y811 HydrophobicContact CG-CG 4.1Å; S785-Y811 PolarHBondContact N-O 3.49Å; S785-Y811 WeakPolarHBondContact O-CD1 3.47Å; S785-Y811 PolarHBondContact O-N 2.91Å; Y787-Y811 HydrophobicContact CD2-CE1 4.12Å; Y787-Y811 HydrophobicContact CG-CE1 4.37Å; Y811-D813 HydrophobicContact CD2-CB 4.01Å; Y811-D813 HydrophobicContact CE2-CB 3.81Å; Y811-D813 PolarHBondContact O-N 3.18Å; Y811-R815 VanDerWaalsContact OH-CD 3.23Å; Y811-R815 WeakPolarHBondContact OH-CD 3.47Å
812	R	86.8	Confident	83	Confident	122 Å²	122	76.1 Å²	76.1	46%	0.46	40%	0.398	S	S	.	.	S	Bend	trans	-88.2	80.3	-173	-169.3	-180	-178.9	121.8	17.4	111.8	P608 D759 L784	P608-R812 PolarHBondContact O-NH1 3.44Å; D759-R812 IonicContact OD1-NH2 2.74Å; D759-R812 PolarHBondContact OD1-NH2 2.79Å; D759-R812 IonicContact OD2-CZ 3.2Å; D759-R812 IonicContact OD2-NH2 2.77Å; D759-R812 PolarHBondContact OD2-NH2 3.46Å; L784-R812 HydrophobicContact CD2-CB 4.16Å
813	D	88.5	Confident	84.5	Confident	28 Å²	28	75.8 Å²	75.8	15%	0.15	40%	0.4	C	S	.	.	S	Bend	trans	-149.8	171.3	168.1	-160.4	-16.4	0	0	0	108.4	S785 Y811 R815 H826	S785-D813 WeakPolarHBondContact CB-O 3.48Å; S785-D813 PolarHBondContact N-O 3.31Å; S785-D813 VanDerWaalsContact OG-C 3.3Å; S785-D813 PolarHBondContact OG-O 2.96Å; Y811-D813 HydrophobicContact CD2-CB 4.01Å; Y811-D813 HydrophobicContact CE2-CB 3.81Å; Y811-D813 PolarHBondContact O-N 3.18Å; D813-R815 HydrophobicContact CB-CG 4.45Å; D813-R815 IonicContact OD2-CZ 3.3Å; D813-R815 VanDerWaalsContact OD2-CZ 3.22Å; D813-R815 IonicContact OD2-NE 2.7Å; D813-R815 PolarHBondContact OD2-NE 2.86Å; D813-R815 IonicContact OD2-NH2 2.68Å; D813-R815 PolarHBondContact OD2-NH2 2.93Å; D813-H826 IonicContact OD1-CE1 3.09Å; D813-H826 PolarHBondContact OD1-CE1 3.08Å; D813-H826 IonicContact OD1-ND1 2.92Å; D813-H826 IonicContact OD2-CE1 3.42Å
814	Y	91.1	Very high	86.2	Confident	29 Å²	29	68.9 Å²	68.9	11%	0.114	37%	0.368	C	S	.	.			trans	-111	79.1	177.8	-67	-80.6	0	0	0	110.2	H826 T827 Q829 I833	Y814-H826 WeakPolarHBondContact O-CA 3.34Å; Y814-T827 PolarHBondContact O-N 3.11Å; Y814-T827 PolarHBondContact O-OG1 3.31Å; Y814-Q829 HydrophobicContact CD1-CG 4.01Å; Y814-Q829 HydrophobicContact CE1-CG 4.28Å; Y814-Q829 VanDerWaalsContact CE1-NE2 3.34Å; Y814-I833 HydrophobicContact CD1-CD1 4.22Å; Y814-I833 HydrophobicContact CD2-CD1 4.1Å; Y814-I833 HydrophobicContact CE1-CD1 3.76Å; Y814-I833 HydrophobicContact CE2-CD1 3.64Å; Y814-I833 HydrophobicContact CG-CD1 4.38Å; Y814-I833 VanDerWaalsContact CZ-CD1 3.46Å
815	R	92.8	Very high	87.8	Confident	34 Å²	34	67.4 Å²	67.4	13%	0.128	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-125.1	155.4	-177.1	-69.7	173.2	-172.6	-79.4	-13.9	112.1	S785 Y811 D813 Y824 T825 H826 T827	S785-R815 PolarHBondContact OG-N 3.33Å; S785-R815 PolarHBondContact OG-O 2.82Å; Y811-R815 VanDerWaalsContact OH-CD 3.23Å; Y811-R815 WeakPolarHBondContact OH-CD 3.47Å; D813-R815 HydrophobicContact CB-CG 4.45Å; D813-R815 IonicContact OD2-CZ 3.3Å; D813-R815 VanDerWaalsContact OD2-CZ 3.22Å; D813-R815 IonicContact OD2-NE 2.7Å; D813-R815 PolarHBondContact OD2-NE 2.86Å; D813-R815 IonicContact OD2-NH2 2.68Å; D813-R815 PolarHBondContact OD2-NH2 2.93Å; R815-Y824 VanDerWaalsContact CD-O 3.27Å; R815-Y824 WeakPolarHBondContact CD-O 3.39Å; R815-Y824 PolarHBondContact NH1-O 3.19Å; R815-T825 CarbonylContact C-O 3.59Å; R815-T825 WeakPolarHBondContact CA-O 3.29Å; R815-T825 WeakPolarHBondContact CB-O 3.39Å; R815-H826 PolarHBondContact NH2-CE1 3.49Å; R815-H826 PolarHBondContact NH2-NE2 3.01Å; R815-T827 VanDerWaalsContact C-CG2 3.42Å
816	Y	93.4	Very high	89.2	Confident	28 Å²	28	64.3 Å²	64.3	11%	0.11	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-66.7	141.8	177.1	-67.3	-78	0	0	0	111.8	H820 R822 Y824 T825 H826 T827	Y816-H820 AromaticContact CD1-CE1 3.18Å; Y816-H820 WeakPolarHBondContact CD1-CE1 3.11Å; Y816-H820 AromaticContact CD1-CG 3.94Å; Y816-H820 AromaticContact CD1-ND1 3.29Å; Y816-H820 VanDerWaalsContact CD1-ND1 3.29Å; Y816-H820 WeakPolarHBondContact CD1-ND1 3.37Å; Y816-H820 AromaticContact CD1-NE2 3.77Å; Y816-H820 AromaticContact CE1-CE1 3.39Å; Y816-H820 WeakPolarHBondContact CE1-CE1 3.46Å; Y816-H820 AromaticContact CE1-ND1 3.97Å; Y816-H820 AromaticContact CE1-NE2 3.91Å; Y816-H820 AromaticContact CG-CE1 3.62Å; Y816-H820 AromaticContact CG-ND1 3.32Å; Y816-H820 VanDerWaalsContact CG-ND1 3.32Å; Y816-H820 AromaticContact CZ-CE1 3.97Å; Y816-R822 HydrophobicContact CD2-CB 4.05Å; Y816-R822 WeakPolarHBondContact CD2-O 3.41Å; Y816-R822 HydrophobicContact CE2-CB 4.28Å; Y816-Y824 PolarHBondContact O-N 2.87Å; Y816-T825 WeakPolarHBondContact CD2-O 3.43Å; Y816-T825 WeakPolarHBondContact CD2-OG1 3.32Å; Y816-T825 PolarHBondContact N-O 3.22Å; Y816-H826 VanDerWaalsContact CE2-O 3.3Å; Y816-H826 WeakPolarHBondContact CE2-O 2.97Å; Y816-T827 HydrophobicContact CD1-CG2 3.98Å; Y816-T827 HydrophobicContact CD2-CG2 4.24Å; Y816-T827 HydrophobicContact CE1-CG2 4.11Å; Y816-T827 HydrophobicContact CE2-CG2 4.36Å; Y816-T827 HydrophobicContact CG-CG2 4.05Å
817	P	93	Very high	90.3	Very high	65 Å²	65	62.2 Å²	62.2	42%	0.422	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-67.7	164	-178.7	29.7	-36.6	0	0	0	112.7	H820	P817-H820 HydrophobicContact CG-CB 4.49Å; P817-H820 WeakPolarHBondContact O-CB 3.37Å; P817-H820 PolarHBondContact O-N 3.48Å
818	P	90.4	Very high	90.7	Very high	41 Å²	41	63.6 Å²	63.6	27%	0.266	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	141.8	169.9	23.9	-34.3	0	0	0	111.4	V786 N788 H820	V786-P818 HydrophobicContact CG1-CG 4.3Å; V786-P818 WeakPolarHBondContact O-CD 3.39Å; N788-P818 HydrophobicContact CB-CB 4.31Å; P818-H820 VanDerWaalsContact C-N 3.33Å
819	G	86.6	Confident	90.9	Very high	81 Å²	81	62 Å²	62	84%	0.835	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-9.4	-179.1	0	0	0	0	0	115.4
820	H	91.4	Very high	91	Very high	69 Å²	69	64.4 Å²	64.4	32%	0.319	32%	0.321	S	S	.	.	S	Bend	trans	-78.4	145.3	169.1	-174	-104.3	0	0	0	110.9	Y816 P817 P818 R822 Q823	Y816-H820 AromaticContact CD1-CE1 3.18Å; Y816-H820 WeakPolarHBondContact CD1-CE1 3.11Å; Y816-H820 AromaticContact CD1-CG 3.94Å; Y816-H820 AromaticContact CD1-ND1 3.29Å; Y816-H820 VanDerWaalsContact CD1-ND1 3.29Å; Y816-H820 WeakPolarHBondContact CD1-ND1 3.37Å; Y816-H820 AromaticContact CD1-NE2 3.77Å; Y816-H820 AromaticContact CE1-CE1 3.39Å; Y816-H820 WeakPolarHBondContact CE1-CE1 3.46Å; Y816-H820 AromaticContact CE1-ND1 3.97Å; Y816-H820 AromaticContact CE1-NE2 3.91Å; Y816-H820 AromaticContact CG-CE1 3.62Å; Y816-H820 AromaticContact CG-ND1 3.32Å; Y816-H820 VanDerWaalsContact CG-ND1 3.32Å; Y816-H820 AromaticContact CZ-CE1 3.97Å; P817-H820 HydrophobicContact CG-CB 4.49Å; P817-H820 WeakPolarHBondContact O-CB 3.37Å; P817-H820 PolarHBondContact O-N 3.48Å; P818-H820 VanDerWaalsContact C-N 3.33Å; H820-R822 PolarHBondContact ND1-N 2.87Å; H820-R822 PolarHBondContact O-N 2.97Å; H820-Q823 WeakPolarHBondContact O-CB 3.13Å; H820-Q823 PolarHBondContact O-N 3.38Å
821	E	91.4	Very high	91.2	Very high	185 Å²	185	68.7 Å²	68.7	86%	0.864	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-40.1	-179.5	-60.8	179.7	155.8	0	0	113.1
822	R	91.1	Very high	91.4	Very high	131 Å²	131	71.6 Å²	71.6	49%	0.494	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	36.9	-179.7	-64	-175.4	-78	163.7	-3.1	112.5	Y816 H820 Y824 T825	Y816-R822 HydrophobicContact CD2-CB 4.05Å; Y816-R822 WeakPolarHBondContact CD2-O 3.41Å; Y816-R822 HydrophobicContact CE2-CB 4.28Å; H820-R822 PolarHBondContact ND1-N 2.87Å; H820-R822 PolarHBondContact O-N 2.97Å; R822-Y824 PolarHBondContact O-N 3.19Å; R822-T825 PolarHBondContact O-N 3.44Å; R822-T825 PolarHBondContact O-OG1 2.95Å
823	Q	90.2	Very high	91.7	Very high	93 Å²	93	66.1 Å²	66.1	44%	0.435	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.3	135.2	-178.1	57.1	174.3	-6	0	0	113.2	H820 T825	H820-Q823 WeakPolarHBondContact O-CB 3.13Å; H820-Q823 PolarHBondContact O-N 3.38Å; Q823-T825 PolarHBondContact O-N 3.24Å
824	Y	89.6	Confident	92	Very high	18 Å²	18	67.1 Å²	67.1	7%	0.071	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	3	178.5	-46.2	-51.8	0	0	0	117.3	Y587 Y787 N788 Q791 R815 Y816 R822	Y587-Y824 HydrophobicContact CE2-CD2 4.47Å; Y587-Y824 HydrophobicContact CE2-CG 4.33Å; Y787-Y824 AromaticContact CD2-CD1 3.77Å; Y787-Y824 HydrophobicContact CD2-CD1 3.77Å; Y787-Y824 AromaticContact CD2-CE1 3.3Å; Y787-Y824 HydrophobicContact CD2-CE1 3.3Å; Y787-Y824 HydrophobicContact CD2-CE2 4.43Å; Y787-Y824 HydrophobicContact CD2-CG 4.49Å; Y787-Y824 AromaticContact CD2-CZ 3.67Å; Y787-Y824 AromaticContact CE2-CD1 3.81Å; Y787-Y824 HydrophobicContact CE2-CD1 3.81Å; Y787-Y824 HydrophobicContact CE2-CD2 4.08Å; Y787-Y824 AromaticContact CE2-CE1 3.47Å; Y787-Y824 HydrophobicContact CE2-CE1 3.47Å; Y787-Y824 VanDerWaalsContact CE2-CE1 3.47Å; Y787-Y824 AromaticContact CE2-CE2 3.75Å; Y787-Y824 HydrophobicContact CE2-CE2 3.75Å; Y787-Y824 HydrophobicContact CE2-CG 4.09Å; Y787-Y824 AromaticContact CE2-CZ 3.41Å; Y787-Y824 VanDerWaalsContact CE2-CZ 3.41Å; Y787-Y824 HydrophobicContact CG-CE1 4.24Å; N788-Y824 PolarHBondContact N-OH 3.11Å; Q791-Y824 VanDerWaalsContact OE1-CE2 3.25Å; Q791-Y824 PolarHBondContact OE1-OH 2.03Å; R815-Y824 VanDerWaalsContact CD-O 3.27Å; R815-Y824 WeakPolarHBondContact CD-O 3.39Å; R815-Y824 PolarHBondContact NH1-O 3.19Å; Y816-Y824 PolarHBondContact O-N 2.87Å; R822-Y824 PolarHBondContact O-N 3.19Å
825	T	91.9	Very high	92.2	Very high	68 Å²	68	68.6 Å²	68.6	42%	0.417	36%	0.355	S	S	.	.	S	Bend	trans	-79.2	159.6	165.6	72.9	0	0	0	0	110.2	R815 Y816 R822 Q823	R815-T825 CarbonylContact C-O 3.59Å; R815-T825 WeakPolarHBondContact CA-O 3.29Å; R815-T825 WeakPolarHBondContact CB-O 3.39Å; Y816-T825 WeakPolarHBondContact CD2-O 3.43Å; Y816-T825 WeakPolarHBondContact CD2-OG1 3.32Å; Y816-T825 PolarHBondContact N-O 3.22Å; R822-T825 PolarHBondContact O-N 3.44Å; R822-T825 PolarHBondContact O-OG1 2.95Å; Q823-T825 PolarHBondContact O-N 3.24Å
826	H	92.2	Very high	92.3	Very high	56 Å²	56	68.2 Å²	68.2	26%	0.259	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-65.8	139.2	-179.7	-70.8	-75.5	0	0	0	112.4	D813 Y814 R815 Y816 F830	D813-H826 IonicContact OD1-CE1 3.09Å; D813-H826 PolarHBondContact OD1-CE1 3.08Å; D813-H826 IonicContact OD1-ND1 2.92Å; D813-H826 IonicContact OD2-CE1 3.42Å; Y814-H826 WeakPolarHBondContact O-CA 3.34Å; R815-H826 PolarHBondContact NH2-CE1 3.49Å; R815-H826 PolarHBondContact NH2-NE2 3.01Å; Y816-H826 VanDerWaalsContact CE2-O 3.3Å; Y816-H826 WeakPolarHBondContact CE2-O 2.97Å; H826-F830 HydrophobicContact CB-CB 3.98Å; H826-F830 HydrophobicContact CB-CD1 3.84Å; H826-F830 HydrophobicContact CB-CG 3.91Å; H826-F830 AromaticContact CE1-CD2 3.9Å; H826-F830 AromaticContact CE1-CE2 3.66Å; H826-F830 AromaticContact CE1-CZ 3.9Å; H826-F830 AromaticContact CG-CD1 3.84Å; H826-F830 AromaticContact CG-CG 3.88Å; H826-F830 AromaticContact ND1-CD1 3.82Å; H826-F830 AromaticContact ND1-CD2 3.35Å; H826-F830 VanDerWaalsContact ND1-CD2 3.35Å; H826-F830 WeakPolarHBondContact ND1-CD2 3.42Å; H826-F830 AromaticContact ND1-CE2 3.59Å; H826-F830 AromaticContact ND1-CG 3.48Å; H826-F830 WeakPolarHBondContact ND1-CG 3.35Å; H826-F830 AromaticContact ND1-CZ 3.93Å
827	T	93.3	Very high	92.4	Very high	21 Å²	21	68.1 Å²	68.1	13%	0.129	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-77.2	168	178.2	64	0	0	0	0	112.1	Y814 R815 Y816 Q829 F830 W831	Y814-T827 PolarHBondContact O-N 3.11Å; Y814-T827 PolarHBondContact O-OG1 3.31Å; R815-T827 VanDerWaalsContact C-CG2 3.42Å; Y816-T827 HydrophobicContact CD1-CG2 3.98Å; Y816-T827 HydrophobicContact CD2-CG2 4.24Å; Y816-T827 HydrophobicContact CE1-CG2 4.11Å; Y816-T827 HydrophobicContact CE2-CG2 4.36Å; Y816-T827 HydrophobicContact CG-CG2 4.05Å; T827-Q829 PolarHBondContact O-N 2.96Å; T827-Q829 PolarHBondContact OG1-N 3.44Å; T827-F830 WeakPolarHBondContact O-CB 3.4Å; T827-F830 PolarHBondContact O-N 2.95Å; T827-F830 PolarHBondContact OG1-N 3.41Å; T827-W831 VanDerWaalsContact O-CD1 3.31Å
828	M	91.5	Very high	92.5	Very high	132 Å²	132	69 Å²	69	65%	0.65	36%	0.359	S	S	*	.	H	α-helix	trans	-61.9	-27.7	169.7	-58.6	-60.4	-82.8	0	0	112.1	W831 H832	M828-W831 PolarHBondContact O-N 3.5Å; M828-H832 WeakPolarHBondContact O-CB 3.39Å; M828-H832 PolarHBondContact O-N 3.13Å
829	Q	91.9	Very high	92.7	Very high	22 Å²	22	69.1 Å²	69.1	10%	0.103	36%	0.364	C	S	.	.	H	α-helix	trans	-65.7	-36.3	174.9	-177	-178.1	2.7	0	0	112.3	Y770 N782 Y814 T827 W831 H832 I833	Y770-Q829 HydrophobicContact CD2-CG 4.36Å; Y770-Q829 HydrophobicContact CE1-CB 4.31Å; Y770-Q829 HydrophobicContact CE1-CG 4.34Å; Y770-Q829 HydrophobicContact CE2-CB 4.45Å; Y770-Q829 HydrophobicContact CE2-CG 3.85Å; N782-Q829 PolarHBondContact ND2-NE2 2.88Å; Y814-Q829 HydrophobicContact CD1-CG 4.01Å; Y814-Q829 HydrophobicContact CE1-CG 4.28Å; Y814-Q829 VanDerWaalsContact CE1-NE2 3.34Å; T827-Q829 PolarHBondContact O-N 2.96Å; T827-Q829 PolarHBondContact OG1-N 3.44Å; Q829-W831 VanDerWaalsContact C-N 3.34Å; Q829-W831 PolarHBondContact O-N 3.48Å; Q829-H832 PolarHBondContact O-N 3.08Å; Q829-I833 HydrophobicContact CG-CD1 3.82Å; Q829-I833 HydrophobicContact CG-CG1 4.37Å; Q829-I833 WeakPolarHBondContact O-CB 3.25Å; Q829-I833 VanDerWaalsContact O-CG1 3.29Å; Q829-I833 WeakPolarHBondContact O-CG1 3.39Å; Q829-I833 PolarHBondContact O-N 3.42Å
830	F	93.3	Very high	93	Very high	52 Å²	52	67.3 Å²	67.3	23%	0.228	33%	0.333	C	S	.	.	H	α-helix	trans	-55.9	-50.1	171.6	178.5	-95.4	0	0	0	111.2	H826 T827 I833 L834	H826-F830 HydrophobicContact CB-CB 3.98Å; H826-F830 HydrophobicContact CB-CD1 3.84Å; H826-F830 HydrophobicContact CB-CG 3.91Å; H826-F830 AromaticContact CE1-CD2 3.9Å; H826-F830 AromaticContact CE1-CE2 3.66Å; H826-F830 AromaticContact CE1-CZ 3.9Å; H826-F830 AromaticContact CG-CD1 3.84Å; H826-F830 AromaticContact CG-CG 3.88Å; H826-F830 AromaticContact ND1-CD1 3.82Å; H826-F830 AromaticContact ND1-CD2 3.35Å; H826-F830 VanDerWaalsContact ND1-CD2 3.35Å; H826-F830 WeakPolarHBondContact ND1-CD2 3.42Å; H826-F830 AromaticContact ND1-CE2 3.59Å; H826-F830 AromaticContact ND1-CG 3.48Å; H826-F830 WeakPolarHBondContact ND1-CG 3.35Å; H826-F830 AromaticContact ND1-CZ 3.93Å; T827-F830 WeakPolarHBondContact O-CB 3.4Å; T827-F830 PolarHBondContact O-N 2.95Å; T827-F830 PolarHBondContact OG1-N 3.41Å; F830-I833 PolarHBondContact O-N 2.94Å; F830-L834 HydrophobicContact CE1-CD2 4.15Å; F830-L834 WeakPolarHBondContact O-CB 3.24Å; F830-L834 PolarHBondContact O-N 3.05Å
831	W	94.7	Very high	93	Very high	146 Å²	146	64.2 Å²	64.2	55%	0.553	32%	0.319	S	S	*	.	H	α-helix	trans	-67.9	-36.8	-179	-66.8	106.2	0	0	0	112.7	T827 M828 Q829 L834 A835	T827-W831 VanDerWaalsContact O-CD1 3.31Å; M828-W831 PolarHBondContact O-N 3.5Å; Q829-W831 VanDerWaalsContact C-N 3.34Å; Q829-W831 PolarHBondContact O-N 3.48Å; W831-L834 HydrophobicContact CE3-CD2 4Å; W831-L834 HydrophobicContact CZ3-CD2 3.93Å; W831-L834 PolarHBondContact O-N 2.73Å; W831-A835 WeakPolarHBondContact O-CB 3.18Å; W831-A835 PolarHBondContact O-N 3.03Å
832	H	94.6	Very high	93.2	Very high	82 Å²	82	59.7 Å²	59.7	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-64.5	-45.8	174.3	-170	-173.6	0	0	0	111.6	Y770 M828 Q829 L834 A835 A836	Y770-H832 AromaticContact CE2-ND1 3.55Å; Y770-H832 AromaticContact CZ-ND1 3.7Å; Y770-H832 PolarHBondContact OH-ND1 2.77Å; Y770-H832 VanDerWaalsContact OH-ND1 3.09Å; M828-H832 WeakPolarHBondContact O-CB 3.39Å; M828-H832 PolarHBondContact O-N 3.13Å; Q829-H832 PolarHBondContact O-N 3.08Å; H832-L834 VanDerWaalsContact C-N 3.35Å; H832-L834 PolarHBondContact O-N 3.49Å; H832-A835 PolarHBondContact O-N 2.93Å; H832-A836 WeakPolarHBondContact O-CB 3.29Å; H832-A836 PolarHBondContact O-N 2.9Å
833	I	94	Very high	93.2	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-40.2	175	-70.4	171.2	0	0	0	111	P762 V765 Y814 Q829 F830 A836 K837	P762-I833 HydrophobicContact CB-CD1 4.38Å; P762-I833 HydrophobicContact CB-CG2 4.47Å; P762-I833 HydrophobicContact CG-CG2 4.05Å; V765-I833 HydrophobicContact CB-CG1 4.07Å; V765-I833 HydrophobicContact CG1-CG1 3.7Å; V765-I833 HydrophobicContact CG2-CG1 4.47Å; Y814-I833 HydrophobicContact CD1-CD1 4.22Å; Y814-I833 HydrophobicContact CD2-CD1 4.1Å; Y814-I833 HydrophobicContact CE1-CD1 3.76Å; Y814-I833 HydrophobicContact CE2-CD1 3.64Å; Y814-I833 HydrophobicContact CG-CD1 4.38Å; Y814-I833 VanDerWaalsContact CZ-CD1 3.46Å; Q829-I833 HydrophobicContact CG-CD1 3.82Å; Q829-I833 HydrophobicContact CG-CG1 4.37Å; Q829-I833 WeakPolarHBondContact O-CB 3.25Å; Q829-I833 VanDerWaalsContact O-CG1 3.29Å; Q829-I833 WeakPolarHBondContact O-CG1 3.39Å; Q829-I833 PolarHBondContact O-N 3.42Å; F830-I833 PolarHBondContact O-N 2.94Å; I833-A836 PolarHBondContact O-N 3.06Å; I833-K837 HydrophobicContact CG2-CD 4Å; I833-K837 HydrophobicContact CG2-CG 4.5Å; I833-K837 WeakPolarHBondContact O-CB 3.47Å; I833-K837 VanDerWaalsContact O-CG 3.26Å; I833-K837 WeakPolarHBondContact O-CG 3.42Å; I833-K837 PolarHBondContact O-N 3.22Å
834	L	93.8	Very high	93.1	Very high	50 Å²	50	54.9 Å²	54.9	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-65.6	-43.4	176.8	-177.3	60.1	0	0	0	111.8	F756 F830 W831 H832 K837 M838	F756-L834 HydrophobicContact CE1-CD1 4.36Å; F830-L834 HydrophobicContact CE1-CD2 4.15Å; F830-L834 WeakPolarHBondContact O-CB 3.24Å; F830-L834 PolarHBondContact O-N 3.05Å; W831-L834 HydrophobicContact CE3-CD2 4Å; W831-L834 HydrophobicContact CZ3-CD2 3.93Å; W831-L834 PolarHBondContact O-N 2.73Å; H832-L834 VanDerWaalsContact C-N 3.35Å; H832-L834 PolarHBondContact O-N 3.49Å; L834-K837 PolarHBondContact O-N 2.94Å; L834-M838 WeakPolarHBondContact O-CG 3.34Å; L834-M838 PolarHBondContact O-N 3.44Å
835	A	95.6	Very high	93.2	Very high	59 Å²	59	56.5 Å²	56.5	49%	0.488	29%	0.293	S	S	.	.	H	α-helix	trans	-61.1	-44	174.9	0	0	0	0	0	111.7	W831 H832 K837 M838 A839	W831-A835 WeakPolarHBondContact O-CB 3.18Å; W831-A835 PolarHBondContact O-N 3.03Å; H832-A835 PolarHBondContact O-N 2.93Å; A835-K837 PolarHBondContact O-N 2.99Å; A835-M838 PolarHBondContact O-N 2.87Å; A835-A839 WeakPolarHBondContact O-CB 3.21Å; A835-A839 PolarHBondContact O-N 3.41Å
836	A	95.3	Very high	93.1	Very high	27 Å²	27	58.6 Å²	58.6	22%	0.223	30%	0.298	C	S	.	.	H	α-helix	trans	-62.5	-40.4	175.3	0	0	0	0	0	112.6	I761 V765 H832 I833 A839 F840	I761-A836 HydrophobicContact CG2-CB 3.92Å; V765-A836 HydrophobicContact CG2-CB 3.5Å; H832-A836 WeakPolarHBondContact O-CB 3.29Å; H832-A836 PolarHBondContact O-N 2.9Å; I833-A836 PolarHBondContact O-N 3.06Å; A836-A839 PolarHBondContact O-N 2.95Å; A836-F840 WeakPolarHBondContact O-CB 3.23Å; A836-F840 PolarHBondContact O-N 3.1Å
837	K	94.3	Very high	92.9	Very high	25 Å²	25	59.4 Å²	59.4	11%	0.109	31%	0.307	C	S	.	.	H	α-helix	trans	-62.1	-45.2	174.3	-74.3	169.3	-175.8	-92.2	0	111.7	A755 I761 I833 L834 A835 F840 I841	A755-K837 HydrophobicContact CB-CB 4.26Å; A755-K837 WeakPolarHBondContact O-CD 3.26Å; A755-K837 WeakPolarHBondContact O-CE 3.44Å; A755-K837 VanDerWaalsContact O-CG 3.28Å; A755-K837 WeakPolarHBondContact O-CG 3.2Å; A755-K837 PolarHBondContact O-NZ 3.4Å; I761-K837 HydrophobicContact CB-CG 4.01Å; I761-K837 HydrophobicContact CG1-CG 4.43Å; I761-K837 HydrophobicContact CG2-CG 3.8Å; I833-K837 HydrophobicContact CG2-CD 4Å; I833-K837 HydrophobicContact CG2-CG 4.5Å; I833-K837 WeakPolarHBondContact O-CB 3.47Å; I833-K837 VanDerWaalsContact O-CG 3.26Å; I833-K837 WeakPolarHBondContact O-CG 3.42Å; I833-K837 PolarHBondContact O-N 3.22Å; L834-K837 PolarHBondContact O-N 2.94Å; A835-K837 PolarHBondContact O-N 2.99Å; K837-F840 PolarHBondContact O-N 2.68Å; K837-I841 WeakPolarHBondContact O-CG1 3.27Å; K837-I841 PolarHBondContact O-N 3.44Å; K837-I841 VanDerWaalsContact O-N 3.13Å
838	M	95	Very high	92.6	Very high	83 Å²	83	58.6 Å²	58.6	41%	0.409	30%	0.302	S	S	.	.	H	α-helix	trans	-66.5	-42.1	177.1	-66.3	-52.1	-63.5	0	0	112.4	F756 L834 A835 I841 I842	F756-M838 HydrophobicContact CZ-SD 4.2Å; L834-M838 WeakPolarHBondContact O-CG 3.34Å; L834-M838 PolarHBondContact O-N 3.44Å; A835-M838 PolarHBondContact O-N 2.87Å; M838-I841 PolarHBondContact O-N 2.98Å; M838-I841 HydrophobicContact SD-CD1 4.27Å; M838-I842 WeakPolarHBondContact O-CG1 3.46Å; M838-I842 PolarHBondContact O-N 3.16Å; M838-I842 VanDerWaalsContact O-N 3.14Å
839	A	94.9	Very high	92.3	Very high	45 Å²	45	54.4 Å²	54.4	37%	0.372	28%	0.28	S	S	.	.	H	α-helix	trans	-62.4	-42.4	175.6	0	0	0	0	0	112	A835 A836 I841 I842 I843	A835-A839 WeakPolarHBondContact O-CB 3.21Å; A835-A839 PolarHBondContact O-N 3.41Å; A836-A839 PolarHBondContact O-N 2.95Å; A839-I841 PolarHBondContact O-N 3.37Å; A839-I842 PolarHBondContact O-N 3.05Å; A839-I843 WeakPolarHBondContact O-CB 3.44Å; A839-I843 WeakPolarHBondContact O-CD1 3.43Å; A839-I843 VanDerWaalsContact O-CG1 3.25Å; A839-I843 WeakPolarHBondContact O-CG1 3.27Å; A839-I843 PolarHBondContact O-N 2.89Å
840	F	92.5	Very high	92.2	Very high	42 Å²	42	58 Å²	58	18%	0.184	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-45.3	175.8	176.5	-90.5	0	0	0	112.2	I385 M754 A755 I761 A836 K837 I843 M844	I385-F840 HydrophobicContact CG2-CE2 4.25Å; I385-F840 HydrophobicContact CG2-CZ 4.24Å; M754-F840 HydrophobicContact CB-CE1 3.75Å; M754-F840 HydrophobicContact CB-CZ 4.15Å; A755-F840 HydrophobicContact CB-CD1 4.42Å; I761-F840 HydrophobicContact CD1-CB 4.07Å; I761-F840 HydrophobicContact CD1-CD1 4.18Å; I761-F840 HydrophobicContact CD1-CD2 3.65Å; I761-F840 HydrophobicContact CD1-CE2 4.15Å; I761-F840 HydrophobicContact CD1-CG 3.67Å; I761-F840 HydrophobicContact CG1-CG 4.43Å; A836-F840 WeakPolarHBondContact O-CB 3.23Å; A836-F840 PolarHBondContact O-N 3.1Å; K837-F840 PolarHBondContact O-N 2.68Å; F840-I843 PolarHBondContact O-N 3.26Å; F840-M844 HydrophobicContact CE1-CB 4.35Å; F840-M844 HydrophobicContact CE1-SD 3.68Å; F840-M844 HydrophobicContact CZ-CB 4.44Å; F840-M844 HydrophobicContact CZ-SD 3.72Å; F840-M844 WeakPolarHBondContact O-CB 3.05Å; F840-M844 PolarHBondContact O-N 3.03Å
841	I	93.1	Very high	91.9	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-57.3	-53.2	176.6	-66.9	164.3	0	0	0	110	A751 F752 A755 F756 K837 M838 A839 I843 M844 E845	A751-I841 HydrophobicContact CB-CG1 4.49Å; A751-I841 HydrophobicContact CB-CG2 4.26Å; F752-I841 HydrophobicContact CD1-CD1 4.42Å; F752-I841 HydrophobicContact CD2-CD1 4.1Å; F752-I841 HydrophobicContact CD2-CG1 4.45Å; F752-I841 HydrophobicContact CD2-CG2 4.07Å; F752-I841 HydrophobicContact CE1-CD1 4.38Å; F752-I841 HydrophobicContact CE2-CD1 4.08Å; F752-I841 HydrophobicContact CE2-CG2 3.75Å; F752-I841 HydrophobicContact CG-CD1 4.29Å; F752-I841 HydrophobicContact CZ-CD1 4.22Å; A755-I841 HydrophobicContact CB-CD1 3.61Å; A755-I841 HydrophobicContact CB-CG1 3.51Å; F756-I841 HydrophobicContact CD2-CD1 4.32Å; F756-I841 HydrophobicContact CE2-CD1 3.63Å; F756-I841 HydrophobicContact CZ-CD1 4.42Å; K837-I841 WeakPolarHBondContact O-CG1 3.27Å; K837-I841 PolarHBondContact O-N 3.44Å; K837-I841 VanDerWaalsContact O-N 3.13Å; M838-I841 PolarHBondContact O-N 2.98Å; M838-I841 HydrophobicContact SD-CD1 4.27Å; A839-I841 PolarHBondContact O-N 3.37Å; I841-I843 VanDerWaalsContact C-N 3.33Å; I841-I843 PolarHBondContact O-N 3.44Å; I841-M844 PolarHBondContact O-N 2.93Å; I841-E845 WeakPolarHBondContact O-CB 3.03Å; I841-E845 PolarHBondContact O-N 3.07Å
842	I	93.8	Very high	91.4	Very high	90 Å²	90	52.5 Å²	52.5	46%	0.462	29%	0.287	S	S	.	.	H	α-helix	trans	-57.6	-46.4	-178.1	-67.3	165.9	0	0	0	110.7	M838 A839 H846	M838-I842 WeakPolarHBondContact O-CG1 3.46Å; M838-I842 PolarHBondContact O-N 3.16Å; M838-I842 VanDerWaalsContact O-N 3.14Å; A839-I842 PolarHBondContact O-N 3.05Å; I842-H846 WeakPolarHBondContact O-CB 3.48Å; I842-H846 PolarHBondContact O-N 3.26Å; I842-H846 PolarHBondContact O-ND1 3.18Å
843	I	91.6	Very high	90.9	Very high	111 Å²	111	55.6 Å²	55.6	57%	0.569	30%	0.299	S	S	*	.	H	α-helix	trans	-64.4	-50.1	179.9	-68.2	164.8	0	0	0	111	A839 F840 I841 E845 H846 V847	A839-I843 WeakPolarHBondContact O-CB 3.44Å; A839-I843 WeakPolarHBondContact O-CD1 3.43Å; A839-I843 VanDerWaalsContact O-CG1 3.25Å; A839-I843 WeakPolarHBondContact O-CG1 3.27Å; A839-I843 PolarHBondContact O-N 2.89Å; F840-I843 PolarHBondContact O-N 3.26Å; I841-I843 VanDerWaalsContact C-N 3.33Å; I841-I843 PolarHBondContact O-N 3.44Å; I843-E845 PolarHBondContact O-N 3.36Å; I843-H846 PolarHBondContact O-N 2.82Å; I843-V847 HydrophobicContact CG2-CG2 4.33Å; I843-V847 WeakPolarHBondContact O-CB 3.23Å; I843-V847 VanDerWaalsContact O-CG2 3.24Å; I843-V847 WeakPolarHBondContact O-CG2 3.4Å; I843-V847 PolarHBondContact O-N 2.84Å
844	M	88.3	Confident	90.7	Very high	12 Å²	12	60.8 Å²	60.8	6%	0.059	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-43.3	-178.3	-176	176.4	176.8	0	0	111.8	A388 I389 N750 A751 F840 I841 V848	A388-M844 HydrophobicContact CB-CE 3.79Å; I389-M844 HydrophobicContact CG1-CE 4.2Å; I389-M844 HydrophobicContact CG1-CG 4.48Å; N750-M844 HydrophobicContact CB-CE 4.34Å; A751-M844 HydrophobicContact CB-CB 4.42Å; A751-M844 HydrophobicContact CB-CG 4.35Å; A751-M844 HydrophobicContact CB-SD 3.91Å; F840-M844 HydrophobicContact CE1-CB 4.35Å; F840-M844 HydrophobicContact CE1-SD 3.68Å; F840-M844 HydrophobicContact CZ-CB 4.44Å; F840-M844 HydrophobicContact CZ-SD 3.72Å; F840-M844 WeakPolarHBondContact O-CB 3.05Å; F840-M844 PolarHBondContact O-N 3.03Å; I841-M844 PolarHBondContact O-N 2.93Å; M844-V848 WeakPolarHBondContact O-CG2 3.48Å; M844-V848 PolarHBondContact O-N 3.48Å; M844-V848 VanDerWaalsContact O-N 3.12Å
845	E	90.9	Very high	90.4	Very high	51 Å²	51	59 Å²	59	24%	0.238	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-51.3	177.6	-177	176.6	-176.6	0	0	111.7	I841 I843 V848 F849	I841-E845 WeakPolarHBondContact O-CB 3.03Å; I841-E845 PolarHBondContact O-N 3.07Å; I843-E845 PolarHBondContact O-N 3.36Å; E845-V848 PolarHBondContact O-N 2.66Å; E845-F849 HydrophobicContact CG-CD2 3.71Å; E845-F849 HydrophobicContact CG-CE2 3.4Å; E845-F849 HydrophobicContact CG-CZ 4.39Å; E845-F849 VanDerWaalsContact O-CD2 3.32Å; E845-F849 WeakPolarHBondContact O-CD2 3.48Å; E845-F849 WeakPolarHBondContact O-CG 3.33Å; E845-F849 PolarHBondContact O-N 2.94Å
846	H	90.6	Very high	89.7	Confident	113 Å²	113	58.1 Å²	58.1	52%	0.523	31%	0.306	S	S	.	.	H	α-helix	trans	-67.6	-38.1	-178.9	-73.6	71.6	0	0	0	112.3	I842 I843 F849 V850	I842-H846 WeakPolarHBondContact O-CB 3.48Å; I842-H846 PolarHBondContact O-N 3.26Å; I842-H846 PolarHBondContact O-ND1 3.18Å; I843-H846 PolarHBondContact O-N 2.82Å; H846-F849 PolarHBondContact O-N 2.98Å; H846-V850 WeakPolarHBondContact O-CB 3.47Å; H846-V850 VanDerWaalsContact O-CG2 3.25Å; H846-V850 WeakPolarHBondContact O-CG2 3.28Å; H846-V850 PolarHBondContact O-N 2.82Å
847	V	88.4	Confident	89.3	Confident	73 Å²	73	66.3 Å²	66.3	44%	0.442	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-48.7	175.9	166.8	0	0	0	0	110.9	I843 V850 V851	I843-V847 HydrophobicContact CG2-CG2 4.33Å; I843-V847 WeakPolarHBondContact O-CB 3.23Å; I843-V847 VanDerWaalsContact O-CG2 3.24Å; I843-V847 WeakPolarHBondContact O-CG2 3.4Å; I843-V847 PolarHBondContact O-N 2.84Å; V847-V850 PolarHBondContact O-N 3.09Å; V847-V851 WeakPolarHBondContact O-CG2 3.48Å; V847-V851 PolarHBondContact O-N 3.47Å
848	V	85.9	Confident	89.1	Confident	4 Å²	4	70.1 Å²	70.1	2%	0.024	35%	0.352	C	S	.	.	H	α-helix	trans	-68.8	-36.4	-178.9	177.6	0	0	0	0	111.6	V747 M844 E845 V851 K852	V747-V848 HydrophobicContact CB-CG1 4.44Å; V747-V848 HydrophobicContact CG1-CB 3.83Å; V747-V848 HydrophobicContact CG1-CG1 3.9Å; V747-V848 HydrophobicContact CG1-CG2 4.46Å; V747-V848 HydrophobicContact CG2-CB 4.47Å; V747-V848 HydrophobicContact CG2-CG1 3.61Å; M844-V848 WeakPolarHBondContact O-CG2 3.48Å; M844-V848 PolarHBondContact O-N 3.48Å; M844-V848 VanDerWaalsContact O-N 3.12Å; E845-V848 PolarHBondContact O-N 2.66Å; V848-V851 PolarHBondContact O-N 2.96Å; V848-K852 PolarHBondContact O-N 2.91Å
849	F	86.7	Confident	88.7	Confident	44 Å²	44	67.3 Å²	67.3	19%	0.193	34%	0.338	C	S	.	.	H	α-helix	trans	-69.3	-38.1	173.7	-71	-39.8	0	0	0	113.4	I744 V747 E845 H846 V851 K852 F853	I744-F849 HydrophobicContact CG2-CE1 4.35Å; I744-F849 HydrophobicContact CG2-CZ 4.18Å; V747-F849 HydrophobicContact CB-CE1 4.42Å; V747-F849 HydrophobicContact CB-CZ 4.47Å; V747-F849 HydrophobicContact CG1-CZ 4.49Å; V747-F849 HydrophobicContact CG2-CE1 4.4Å; E845-F849 HydrophobicContact CG-CD2 3.71Å; E845-F849 HydrophobicContact CG-CE2 3.4Å; E845-F849 HydrophobicContact CG-CZ 4.39Å; E845-F849 VanDerWaalsContact O-CD2 3.32Å; E845-F849 WeakPolarHBondContact O-CD2 3.48Å; E845-F849 WeakPolarHBondContact O-CG 3.33Å; E845-F849 PolarHBondContact O-N 2.94Å; H846-F849 PolarHBondContact O-N 2.98Å; F849-V851 VanDerWaalsContact C-N 3.34Å; F849-V851 PolarHBondContact O-N 2.86Å; F849-K852 WeakPolarHBondContact O-CB 3.38Å; F849-K852 PolarHBondContact O-N 3.15Å; F849-F853 HydrophobicContact CB-CE2 4.35Å; F849-F853 WeakPolarHBondContact O-CD2 3.44Å; F849-F853 PolarHBondContact O-N 3.47Å
850	V	90	Very high	88.5	Confident	98 Å²	98	68.3 Å²	68.3	59%	0.594	34%	0.341	S	S	*	.	H	α-helix	trans	-61	-43.8	172.6	166.5	0	0	0	0	110.7	H846 V847 K852 F853 F854	H846-V850 WeakPolarHBondContact O-CB 3.47Å; H846-V850 VanDerWaalsContact O-CG2 3.25Å; H846-V850 WeakPolarHBondContact O-CG2 3.28Å; H846-V850 PolarHBondContact O-N 2.82Å; V847-V850 PolarHBondContact O-N 3.09Å; V850-K852 VanDerWaalsContact C-N 3.35Å; V850-K852 PolarHBondContact O-N 3.07Å; V850-F853 PolarHBondContact O-N 3.48Å; V850-F854 WeakPolarHBondContact O-CB 3.36Å; V850-F854 PolarHBondContact O-N 3.19Å
851	V	85.8	Confident	88.3	Confident	40 Å²	40	70.1 Å²	70.1	24%	0.242	35%	0.352	C	S	.	.	H	α-helix	trans	-64	-39	174.1	177.9	0	0	0	0	111.4	I393 V847 V848 F849 F853 F854 V855	I393-V851 HydrophobicContact CB-CG1 4.49Å; I393-V851 HydrophobicContact CD1-CG1 4.09Å; I393-V851 HydrophobicContact CG1-CB 4.39Å; I393-V851 HydrophobicContact CG1-CG1 3.83Å; I393-V851 HydrophobicContact CG2-CG1 4Å; V847-V851 WeakPolarHBondContact O-CG2 3.48Å; V847-V851 PolarHBondContact O-N 3.47Å; V848-V851 PolarHBondContact O-N 2.96Å; F849-V851 VanDerWaalsContact C-N 3.34Å; F849-V851 PolarHBondContact O-N 2.86Å; V851-F853 PolarHBondContact O-N 2.79Å; V851-F854 PolarHBondContact O-N 3.11Å; V851-V855 HydrophobicContact CG1-CG2 4.05Å; V851-V855 WeakPolarHBondContact O-CB 3.22Å; V851-V855 VanDerWaalsContact O-CG2 3.26Å; V851-V855 WeakPolarHBondContact O-CG2 3.25Å; V851-V855 PolarHBondContact O-N 2.68Å
852	K	83.4	Confident	88.1	Confident	42 Å²	42	72.1 Å²	72.1	18%	0.183	37%	0.365	C	S	.	.	H	α-helix	trans	-56.6	-51.4	173.9	-176.1	174.3	179.4	178.4	0	112.1	T396 V848 F849 V850 V855 A856	T396-K852 HydrophobicContact CG2-CB 3.72Å; T396-K852 HydrophobicContact CG2-CD 3.91Å; T396-K852 HydrophobicContact CG2-CG 3.57Å; V848-K852 PolarHBondContact O-N 2.91Å; F849-K852 WeakPolarHBondContact O-CB 3.38Å; F849-K852 PolarHBondContact O-N 3.15Å; V850-K852 VanDerWaalsContact C-N 3.35Å; V850-K852 PolarHBondContact O-N 3.07Å; K852-V855 PolarHBondContact O-N 3.17Å; K852-A856 WeakPolarHBondContact O-CB 3.11Å; K852-A856 PolarHBondContact O-N 3.28Å
853	F	85.4	Confident	87.9	Confident	147 Å²	147	68 Å²	68	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-66.7	-36.9	-179.8	-68.8	-61	0	0	0	112.1	F849 V850 V851 W857	F849-F853 HydrophobicContact CB-CE2 4.35Å; F849-F853 WeakPolarHBondContact O-CD2 3.44Å; F849-F853 PolarHBondContact O-N 3.47Å; V850-F853 PolarHBondContact O-N 3.48Å; V851-F853 PolarHBondContact O-N 2.79Å; F853-W857 WeakPolarHBondContact O-CB 3.31Å; F853-W857 PolarHBondContact O-N 3.01Å
854	F	89.7	Confident	87.7	Confident	116 Å²	116	66.5 Å²	66.5	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-65.1	-43	174.7	-178.5	-101.8	0	0	0	112.6	V850 V851 W857 L858	V850-F854 WeakPolarHBondContact O-CB 3.36Å; V850-F854 PolarHBondContact O-N 3.19Å; V851-F854 PolarHBondContact O-N 3.11Å; F854-W857 HydrophobicContact CD2-CE3 4.2Å; F854-W857 HydrophobicContact CE2-CE3 4.07Å; F854-W857 HydrophobicContact CE2-CZ3 4Å; F854-W857 PolarHBondContact O-N 3.07Å; F854-L858 HydrophobicContact CE1-CD2 4.03Å; F854-L858 HydrophobicContact CZ-CD2 4.42Å; F854-L858 VanDerWaalsContact O-CB 3.29Å; F854-L858 WeakPolarHBondContact O-CB 3.35Å; F854-L858 PolarHBondContact O-N 2.99Å
855	V	86.3	Confident	87.6	Confident	12 Å²	12	69.9 Å²	69.9	7%	0.073	36%	0.361	C	S	.	.	H	α-helix	trans	-62.4	-46.1	175.6	166.8	0	0	0	0	111.1	L397 E400 V851 K852 W857 L858 I859	L397-V855 HydrophobicContact CD2-CG1 3.86Å; L397-V855 HydrophobicContact CD2-CG2 4.31Å; E400-V855 HydrophobicContact CG-CG1 4.22Å; V851-V855 HydrophobicContact CG1-CG2 4.05Å; V851-V855 WeakPolarHBondContact O-CB 3.22Å; V851-V855 VanDerWaalsContact O-CG2 3.26Å; V851-V855 WeakPolarHBondContact O-CG2 3.25Å; V851-V855 PolarHBondContact O-N 2.68Å; K852-V855 PolarHBondContact O-N 3.17Å; V855-W857 VanDerWaalsContact C-N 3.27Å; V855-W857 PolarHBondContact O-N 3.38Å; V855-L858 PolarHBondContact O-N 3.06Å; V855-I859 HydrophobicContact CG1-CD1 3.88Å; V855-I859 HydrophobicContact CG1-CG1 4.49Å; V855-I859 WeakPolarHBondContact O-CB 3.48Å; V855-I859 WeakPolarHBondContact O-CG1 3.49Å; V855-I859 PolarHBondContact O-N 3.02Å
856	A	80.9	Confident	87.5	Confident	41 Å²	41	67.8 Å²	67.8	34%	0.339	35%	0.352	S	S	.	.	H	α-helix	trans	-67.2	-24.8	177.3	0	0	0	0	0	113.6	K852	K852-A856 WeakPolarHBondContact O-CB 3.11Å; K852-A856 PolarHBondContact O-N 3.28Å
857	W	87.5	Confident	87.4	Confident	199 Å²	199	67 Å²	67	75%	0.754	35%	0.347	S	S	*	.	H	α-helix	trans	-78.7	-38.9	171.9	175.5	78.7	0	0	0	112.5	F853 F854 V855	F853-W857 WeakPolarHBondContact O-CB 3.31Å; F853-W857 PolarHBondContact O-N 3.01Å; F854-W857 HydrophobicContact CD2-CE3 4.2Å; F854-W857 HydrophobicContact CE2-CE3 4.07Å; F854-W857 HydrophobicContact CE2-CZ3 4Å; F854-W857 PolarHBondContact O-N 3.07Å; V855-W857 VanDerWaalsContact C-N 3.27Å; V855-W857 PolarHBondContact O-N 3.38Å
858	L	89.8	Confident	87.5	Confident	105 Å²	105	66.3 Å²	66.3	55%	0.55	35%	0.349	S	S	.	.	H	α-helix	trans	-76.1	-32.6	-177.8	-177.2	65.2	0	0	0	113.1	F854 V855	F854-L858 HydrophobicContact CE1-CD2 4.03Å; F854-L858 HydrophobicContact CZ-CD2 4.42Å; F854-L858 VanDerWaalsContact O-CB 3.29Å; F854-L858 WeakPolarHBondContact O-CB 3.35Å; F854-L858 PolarHBondContact O-N 2.99Å; V855-L858 PolarHBondContact O-N 3.06Å
859	I	88.1	Confident	87.5	Confident	24 Å²	24	69.3 Å²	69.3	12%	0.123	36%	0.36	C	S	.	.	S	Bend	trans	-114.1	101.3	-170.5	-51	-177.2	0	0	0	109.4	L397 F401 V855	L397-I859 HydrophobicContact CD2-CD1 4.01Å; F401-I859 HydrophobicContact CD1-CD1 4.49Å; F401-I859 HydrophobicContact CD1-CG2 4.19Å; F401-I859 HydrophobicContact CE1-CD1 3.67Å; F401-I859 HydrophobicContact CE1-CG2 3.98Å; F401-I859 HydrophobicContact CZ-CD1 4.03Å; V855-I859 HydrophobicContact CG1-CD1 3.88Å; V855-I859 HydrophobicContact CG1-CG1 4.49Å; V855-I859 WeakPolarHBondContact O-CB 3.48Å; V855-I859 WeakPolarHBondContact O-CG1 3.49Å; V855-I859 PolarHBondContact O-N 3.02Å
860	P	88.8	Confident	87.5	Confident	66 Å²	66	68.7 Å²	68.7	43%	0.429	36%	0.358	S	S	.	.			trans	-71.3	136.3	-177.2	28	-34.6	0	0	0	112.1	V862	P860-V862 PolarHBondContact O-N 3.15Å
861	D	88.8	Confident	87.5	Confident	79 Å²	79	71.6 Å²	71.6	42%	0.422	36%	0.363	S	S	.	.	S	Bend	trans	-53.4	-34.3	-174.6	-49.8	-94.9	0	0	0	113.5	K403 R404	K403-D861 HydrophobicContact CD-CB 4.3Å; K403-D861 WeakPolarHBondContact CD-OD1 3.43Å; K403-D861 WeakPolarHBondContact CE-OD1 3.37Å; K403-D861 IonicContact NZ-OD1 2.74Å; K403-D861 PolarHBondContact NZ-OD1 2.88Å; R404-D861 VanDerWaalsContact CA-O 3.26Å; R404-D861 WeakPolarHBondContact CA-O 3.29Å
862	V	88.5	Confident	87.5	Confident	47 Å²	47	75 Å²	75	29%	0.285	37%	0.371	S	S	.	.	S	Bend	trans	-119.3	126.2	-179.8	-176.9	0	0	0	0	109.8	A407 P860 V866 K867	A407-V862 HydrophobicContact CB-CB 4.27Å; A407-V862 HydrophobicContact CB-CG1 4.2Å; A407-V862 HydrophobicContact CB-CG2 3.82Å; P860-V862 PolarHBondContact O-N 3.15Å; V862-V866 HydrophobicContact CG1-CB 4.36Å; V862-V866 HydrophobicContact CG1-CG1 4.17Å; V862-K867 HydrophobicContact CG1-CG 3.93Å; V862-K867 WeakPolarHBondContact O-CE 3.39Å; V862-K867 PolarHBondContact O-NZ 3.03Å
863	P	90.8	Very high	87.6	Confident	3 Å²	3	74 Å²	74	2%	0.019	37%	0.368	C	S	.	.			trans	-56.5	150.3	-179	-23.6	31.4	0	0	0	114.4	R404 D865 V866 K867	R404-P863 HydrophobicContact CG-CG 3.73Å; P863-D865 PolarHBondContact O-N 2.84Å; P863-V866 HydrophobicContact CB-CB 4.19Å; P863-V866 HydrophobicContact CB-CG2 3.98Å; P863-V866 HydrophobicContact CG-CB 4.33Å; P863-V866 HydrophobicContact CG-CG2 3.86Å; P863-V866 PolarHBondContact O-N 2.99Å; P863-K867 WeakPolarHBondContact O-CG 3.45Å; P863-K867 PolarHBondContact O-N 2.94Å
864	S	87.3	Confident	87.7	Confident	80 Å²	80	73.2 Å²	73.2	56%	0.559	36%	0.36	S	S	*	.	H	α-helix	trans	-47.9	-47.7	167	38.2	0	0	0	0	112.3	K867 A868	S864-K867 WeakPolarHBondContact O-CB 3.48Å; S864-K867 PolarHBondContact O-N 3.21Å; S864-A868 PolarHBondContact O-N 2.05Å
865	D	86.5	Confident	87.8	Confident	83 Å²	83	74.3 Å²	74.3	44%	0.444	36%	0.362	S	S	.	.	H	α-helix	trans	-75.4	-36	-167.9	-24.1	-44.4	0	0	0	110.3	P863 A868 R869	P863-D865 PolarHBondContact O-N 2.84Å; D865-A868 PolarHBondContact O-N 2.83Å; D865-R869 WeakPolarHBondContact O-CB 3.45Å; D865-R869 WeakPolarHBondContact O-CG 3.35Å; D865-R869 PolarHBondContact O-N 2.91Å
866	V	87.9	Confident	87.9	Confident	7 Å²	7	74.5 Å²	74.5	4%	0.042	36%	0.362	C	S	.	.	H	α-helix	trans	-67.7	-43	172.4	177	0	0	0	0	110.5	R408 Y411 V862 P863 A868 R869 I870	R408-V866 HydrophobicContact CB-CG2 4.29Å; R408-V866 HydrophobicContact CG-CG2 4.3Å; Y411-V866 HydrophobicContact CG-CG1 4.17Å; V862-V866 HydrophobicContact CG1-CB 4.36Å; V862-V866 HydrophobicContact CG1-CG1 4.17Å; P863-V866 HydrophobicContact CB-CB 4.19Å; P863-V866 HydrophobicContact CB-CG2 3.98Å; P863-V866 HydrophobicContact CG-CB 4.33Å; P863-V866 HydrophobicContact CG-CG2 3.86Å; P863-V866 PolarHBondContact O-N 2.99Å; V866-A868 VanDerWaalsContact C-N 3.26Å; V866-A868 PolarHBondContact O-N 2.82Å; V866-R869 PolarHBondContact O-N 3.29Å; V866-I870 HydrophobicContact CG1-CD1 3.78Å; V866-I870 HydrophobicContact CG1-CG1 4.37Å; V866-I870 WeakPolarHBondContact O-CB 3.39Å; V866-I870 WeakPolarHBondContact O-CG1 3.39Å; V866-I870 PolarHBondContact O-N 2.77Å
867	K	89.5	Confident	88.2	Confident	97 Å²	97	73.7 Å²	73.7	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-59.1	-37.6	172.2	-71.7	168.5	-177.7	162	0	112.1	V862 P863 S864 K871	V862-K867 HydrophobicContact CG1-CG 3.93Å; V862-K867 WeakPolarHBondContact O-CE 3.39Å; V862-K867 PolarHBondContact O-NZ 3.03Å; P863-K867 WeakPolarHBondContact O-CG 3.45Å; P863-K867 PolarHBondContact O-N 2.94Å; S864-K867 WeakPolarHBondContact O-CB 3.48Å; S864-K867 PolarHBondContact O-N 3.21Å; K867-K871 WeakPolarHBondContact O-CB 3.26Å; K867-K871 VanDerWaalsContact O-CG 3.29Å; K867-K871 WeakPolarHBondContact O-CG 3.23Å; K867-K871 PolarHBondContact O-N 3.36Å
868	A	88.9	Confident	88.3	Confident	58 Å²	58	70.9 Å²	70.9	48%	0.479	35%	0.347	S	S	.	.	H	α-helix	trans	-70.6	-43.9	176.5	0	0	0	0	0	112.1	S864 D865 V866 K871 R872	S864-A868 PolarHBondContact O-N 2.05Å; D865-A868 PolarHBondContact O-N 2.83Å; V866-A868 VanDerWaalsContact C-N 3.26Å; V866-A868 PolarHBondContact O-N 2.82Å; A868-K871 PolarHBondContact O-N 3.27Å; A868-R872 WeakPolarHBondContact O-CB 3.21Å; A868-R872 PolarHBondContact O-N 3.4Å
869	R	86.6	Confident	88.4	Confident	68 Å²	68	68.4 Å²	68.4	26%	0.257	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-49	176.1	-73.1	-175.3	-178.6	-123.9	-7.1	112	M157 Q158 Y411 D865 V866 K871 R872 E873	M157-R869 HydrophobicContact SD-CB 4.15Å; M157-R869 HydrophobicContact SD-CG 3.79Å; Q158-R869 PolarHBondContact O-NH2 2.9Å; Y411-R869 HydrophobicContact CE1-CB 3.87Å; Y411-R869 HydrophobicContact CE1-CG 4.46Å; Y411-R869 HydrophobicContact CE2-CB 4.25Å; D865-R869 WeakPolarHBondContact O-CB 3.45Å; D865-R869 WeakPolarHBondContact O-CG 3.35Å; D865-R869 PolarHBondContact O-N 2.91Å; V866-R869 PolarHBondContact O-N 3.29Å; R869-K871 VanDerWaalsContact C-N 3.31Å; R869-K871 PolarHBondContact O-N 2.04Å; R869-R872 PolarHBondContact O-N 3.42Å; R869-R872 VanDerWaalsContact O-N 3.16Å; R869-E873 WeakPolarHBondContact O-CB 3.32Å; R869-E873 PolarHBondContact O-N 3.24Å
870	I	86.9	Confident	88.5	Confident	30 Å²	30	70.2 Å²	70.2	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-57.5	-42.3	175.4	-67.6	167.2	0	0	0	111.6	Y411 V416 V866 R874	Y411-I870 HydrophobicContact CD2-CD1 4.14Å; Y411-I870 HydrophobicContact CD2-CG1 3.39Å; Y411-I870 HydrophobicContact CE2-CG1 3.79Å; Y411-I870 HydrophobicContact CG-CG1 4.3Å; V416-I870 HydrophobicContact CG1-CD1 4.3Å; V416-I870 HydrophobicContact CG2-CD1 4.12Å; V416-I870 HydrophobicContact CG2-CG1 4.45Å; V866-I870 HydrophobicContact CG1-CD1 3.78Å; V866-I870 HydrophobicContact CG1-CG1 4.37Å; V866-I870 WeakPolarHBondContact O-CB 3.39Å; V866-I870 WeakPolarHBondContact O-CG1 3.39Å; V866-I870 PolarHBondContact O-N 2.77Å; I870-R874 WeakPolarHBondContact O-CB 3.4Å; I870-R874 WeakPolarHBondContact O-CG 3.36Å; I870-R874 PolarHBondContact O-N 2.89Å
871	K	89.8	Confident	88.5	Confident	159 Å²	159	68.4 Å²	68.4	69%	0.691	33%	0.326	S	S	*	.	H	α-helix	trans	-65.9	-43	176.4	-78.1	-179.3	176.4	-169.5	0	112.4	K867 A868 R869 Y875	K867-K871 WeakPolarHBondContact O-CB 3.26Å; K867-K871 VanDerWaalsContact O-CG 3.29Å; K867-K871 WeakPolarHBondContact O-CG 3.23Å; K867-K871 PolarHBondContact O-N 3.36Å; A868-K871 PolarHBondContact O-N 3.27Å; R869-K871 VanDerWaalsContact C-N 3.31Å; R869-K871 PolarHBondContact O-N 2.04Å; K871-Y875 WeakPolarHBondContact O-CB 3.37Å; K871-Y875 PolarHBondContact O-N 3.44Å
872	R	87.2	Confident	88.6	Confident	112 Å²	112	70.6 Å²	70.6	42%	0.423	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-44.3	177.3	-180	175.8	174.4	-168.3	-9.2	111.3	D156 A868 R869 Y875 L876	D156-R872 VanDerWaalsContact CB-NH2 3.29Å; D156-R872 PolarHBondContact O-NH1 2.96Å; D156-R872 PolarHBondContact O-NH2 3.33Å; A868-R872 WeakPolarHBondContact O-CB 3.21Å; A868-R872 PolarHBondContact O-N 3.4Å; R869-R872 PolarHBondContact O-N 3.42Å; R869-R872 VanDerWaalsContact O-N 3.16Å; R872-Y875 PolarHBondContact O-N 2.64Å; R872-L876 HydrophobicContact CG-CD1 3.92Å; R872-L876 HydrophobicContact CG-CG 4.34Å; R872-L876 WeakPolarHBondContact O-CB 3.5Å; R872-L876 VanDerWaalsContact O-CG 3.28Å; R872-L876 WeakPolarHBondContact O-CG 3.38Å; R872-L876 PolarHBondContact O-N 3.04Å
873	E	85.1	Confident	88.8	Confident	22 Å²	22	72.9 Å²	72.9	10%	0.103	34%	0.339	C	S	.	.	H	α-helix	trans	-60.9	-51.3	176.6	173.8	169.7	-121.8	0	0	111.8	F186 Y411 R869 Y875 L876 I877	F186-E873 HydrophobicContact CD1-CB 4.18Å; F186-E873 HydrophobicContact CD1-CG 4.03Å; F186-E873 HydrophobicContact CE1-CB 4.3Å; Y411-E873 WeakPolarHBondContact CE2-OE2 3.23Å; R869-E873 WeakPolarHBondContact O-CB 3.32Å; R869-E873 PolarHBondContact O-N 3.24Å; E873-Y875 VanDerWaalsContact C-N 3.29Å; E873-Y875 PolarHBondContact O-N 3.29Å; E873-L876 PolarHBondContact O-N 3.47Å; E873-L876 VanDerWaalsContact O-N 3.15Å; E873-I877 HydrophobicContact CG-CD1 3.66Å; E873-I877 HydrophobicContact CG-CG1 4.36Å; E873-I877 WeakPolarHBondContact O-CB 3.49Å; E873-I877 WeakPolarHBondContact O-CG1 3.36Å; E873-I877 PolarHBondContact O-N 3.43Å
874	R	87.9	Confident	88.7	Confident	129 Å²	129	74.5 Å²	74.5	49%	0.487	35%	0.345	S	S	.	.	H	α-helix	trans	-59.2	-38.9	177.5	-73.8	178.6	172.4	-167.3	-1.4	112.5	D417 I870 Q878	D417-R874 IonicContact OD1-CZ 2.88Å; D417-R874 IonicContact OD1-NE 3.86Å; D417-R874 IonicContact OD1-NH2 3.23Å; D417-R874 PolarHBondContact OD1-NH2 3.34Å; I870-R874 WeakPolarHBondContact O-CB 3.4Å; I870-R874 WeakPolarHBondContact O-CG 3.36Å; I870-R874 PolarHBondContact O-N 2.89Å; R874-Q878 WeakPolarHBondContact O-CG 3.07Å; R874-Q878 PolarHBondContact O-N 3.19Å
875	Y	90.6	Very high	88.9	Confident	139 Å²	139	74.3 Å²	74.3	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-48.2	173.4	169.6	-88.8	0	0	0	112	K871 R872 E873 Q878 E879	K871-Y875 WeakPolarHBondContact O-CB 3.37Å; K871-Y875 PolarHBondContact O-N 3.44Å; R872-Y875 PolarHBondContact O-N 2.64Å; E873-Y875 VanDerWaalsContact C-N 3.29Å; E873-Y875 PolarHBondContact O-N 3.29Å; Y875-Q878 PolarHBondContact O-N 2.77Å; Y875-E879 WeakPolarHBondContact CE1-OE2 3.06Å; Y875-E879 VanDerWaalsContact CZ-OE2 3.27Å; Y875-E879 PolarHBondContact O-N 3.13Å; Y875-E879 PolarHBondContact OH-OE2 3.03Å
876	L	88.4	Confident	89.1	Confident	16 Å²	16	72.7 Å²	72.7	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-42.1	179.5	-72.5	173.9	0	0	0	111.9	F186 R872 E873 Q878 E879 Y880	F186-L876 HydrophobicContact CE1-CD1 3.94Å; F186-L876 HydrophobicContact CE2-CD1 3.8Å; F186-L876 HydrophobicContact CZ-CD1 3.44Å; F186-L876 VanDerWaalsContact CZ-CD1 3.44Å; R872-L876 HydrophobicContact CG-CD1 3.92Å; R872-L876 HydrophobicContact CG-CG 4.34Å; R872-L876 WeakPolarHBondContact O-CB 3.5Å; R872-L876 VanDerWaalsContact O-CG 3.28Å; R872-L876 WeakPolarHBondContact O-CG 3.38Å; R872-L876 PolarHBondContact O-N 3.04Å; E873-L876 PolarHBondContact O-N 3.47Å; E873-L876 VanDerWaalsContact O-N 3.15Å; L876-Q878 VanDerWaalsContact C-N 3.31Å; L876-Q878 PolarHBondContact O-N 3.45Å; L876-E879 PolarHBondContact O-N 3.41Å; L876-Y880 HydrophobicContact CB-CD2 4.2Å; L876-Y880 HydrophobicContact CB-CE2 4.09Å; L876-Y880 HydrophobicContact CD2-CE2 4.04Å; L876-Y880 WeakPolarHBondContact O-CD2 3.35Å; L876-Y880 PolarHBondContact O-N 3.33Å
877	I	87.5	Confident	89.3	Confident	25 Å²	25	78 Å²	78	13%	0.128	35%	0.353	C	S	.	.	H	α-helix	trans	-54.7	-48.2	173.8	-74.9	167.6	0	0	0	110.5	F152 T187 Y188 E873 L881	F152-I877 HydrophobicContact CE1-CD1 4.41Å; F152-I877 HydrophobicContact CE1-CG1 3.69Å; F152-I877 HydrophobicContact CZ-CG1 3.71Å; T187-I877 WeakPolarHBondContact O-CD1 3.1Å; Y188-I877 HydrophobicContact CD2-CD1 4.41Å; Y188-I877 HydrophobicContact CD2-CG1 4.45Å; Y188-I877 HydrophobicContact CD2-CG2 3.44Å; Y188-I877 VanDerWaalsContact CD2-CG2 3.44Å; Y188-I877 HydrophobicContact CE2-CG2 3.58Å; E873-I877 HydrophobicContact CG-CD1 3.66Å; E873-I877 HydrophobicContact CG-CG1 4.36Å; E873-I877 WeakPolarHBondContact O-CB 3.49Å; E873-I877 WeakPolarHBondContact O-CG1 3.36Å; E873-I877 PolarHBondContact O-N 3.43Å; I877-L881 WeakPolarHBondContact O-CB 3.13Å; I877-L881 PolarHBondContact O-N 3.06Å
878	Q	89.7	Confident	89.2	Confident	139 Å²	139	78 Å²	78	65%	0.65	35%	0.35	S	S	*	.	H	α-helix	trans	-63.4	-41.6	177.4	-72.5	174.1	-20.6	0	0	112	R874 Y875 L876 H882	R874-Q878 WeakPolarHBondContact O-CG 3.07Å; R874-Q878 PolarHBondContact O-N 3.19Å; Y875-Q878 PolarHBondContact O-N 2.77Å; L876-Q878 VanDerWaalsContact C-N 3.31Å; L876-Q878 PolarHBondContact O-N 3.45Å; Q878-H882 VanDerWaalsContact O-CB 3.27Å; Q878-H882 WeakPolarHBondContact O-CB 3.48Å; Q878-H882 PolarHBondContact O-N 2.99Å
879	E	92.1	Very high	89.2	Confident	54 Å²	54	79.7 Å²	79.7	25%	0.252	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-47.3	178.8	-164.9	-172.2	137.8	0	0	112.4	Y875 L876 K883	Y875-E879 WeakPolarHBondContact CE1-OE2 3.06Å; Y875-E879 VanDerWaalsContact CZ-OE2 3.27Å; Y875-E879 PolarHBondContact O-N 3.13Å; Y875-E879 PolarHBondContact OH-OE2 3.03Å; L876-E879 PolarHBondContact O-N 3.41Å; E879-K883 HydrophobicContact CG-CD 4.34Å; E879-K883 WeakPolarHBondContact O-CB 3.42Å; E879-K883 VanDerWaalsContact O-CG 3.28Å; E879-K883 WeakPolarHBondContact O-CG 3.41Å; E879-K883 PolarHBondContact O-N 3.07Å; E879-K883 VanDerWaalsContact O-N 3.08Å; E879-K883 WeakPolarHBondContact OE1-CE 3.49Å; E879-K883 IonicContact OE1-NZ 2.61Å; E879-K883 PolarHBondContact OE1-NZ 3.17Å
880	Y	89.6	Confident	89.3	Confident	61 Å²	61	82.7 Å²	82.7	24%	0.239	37%	0.366	C	S	.	.	H	α-helix	trans	-69.8	-41	179	-72.6	-65.8	0	0	0	112.3	F152 K153 L876 K883 Y884	F152-Y880 AromaticContact CE2-CD2 3.82Å; F152-Y880 HydrophobicContact CE2-CD2 3.82Å; F152-Y880 HydrophobicContact CE2-CG 4.16Å; F152-Y880 HydrophobicContact CZ-CD2 4.41Å; K153-Y880 HydrophobicContact CD-CE1 4.22Å; K153-Y880 HydrophobicContact CD-CE2 3.93Å; K153-Y880 PolarHBondContact NZ-OH 3.02Å; L876-Y880 HydrophobicContact CB-CD2 4.2Å; L876-Y880 HydrophobicContact CB-CE2 4.09Å; L876-Y880 HydrophobicContact CD2-CE2 4.04Å; L876-Y880 WeakPolarHBondContact O-CD2 3.35Å; L876-Y880 PolarHBondContact O-N 3.33Å; Y880-K883 PolarHBondContact O-N 2.96Å; Y880-Y884 WeakPolarHBondContact O-CB 3.41Å; Y880-Y884 PolarHBondContact O-N 3.45Å
881	L	88.9	Confident	89.4	Confident	29 Å²	29	85.9 Å²	85.9	15%	0.152	39%	0.386	C	S	.	.	H	α-helix	trans	-63.7	-43.9	178.3	-174.9	65.4	0	0	0	111.2	K194 I877 Y884 E885	K194-L881 HydrophobicContact CD-CD1 4.31Å; I877-L881 WeakPolarHBondContact O-CB 3.13Å; I877-L881 PolarHBondContact O-N 3.06Å; L881-Y884 PolarHBondContact O-N 2.98Å; L881-E885 WeakPolarHBondContact O-CG 3.38Å; L881-E885 PolarHBondContact O-N 3.34Å
882	H	91.3	Very high	89.3	Confident	125 Å²	125	83.3 Å²	83.3	58%	0.579	38%	0.376	S	S	*	.	H	α-helix	trans	-63	-43.4	175.6	180	62.3	0	0	0	112.3	Q878 E885 V886	Q878-H882 VanDerWaalsContact O-CB 3.27Å; Q878-H882 WeakPolarHBondContact O-CB 3.48Å; Q878-H882 PolarHBondContact O-N 2.99Å; H882-E885 PolarHBondContact O-N 3.13Å; H882-V886 WeakPolarHBondContact O-CB 3.41Å; H882-V886 VanDerWaalsContact O-CG2 3.32Å; H882-V886 WeakPolarHBondContact O-CG2 3.44Å; H882-V886 PolarHBondContact O-N 3.09Å
883	K	92	Very high	89.4	Confident	95 Å²	95	82.5 Å²	82.5	41%	0.413	38%	0.38	S	S	.	.	H	α-helix	trans	-60.5	-47.7	175.5	-77.3	170.1	173.8	176.8	0	112	E879 Y880 E885 V886 E887	E879-K883 HydrophobicContact CG-CD 4.34Å; E879-K883 WeakPolarHBondContact O-CB 3.42Å; E879-K883 VanDerWaalsContact O-CG 3.28Å; E879-K883 WeakPolarHBondContact O-CG 3.41Å; E879-K883 PolarHBondContact O-N 3.07Å; E879-K883 VanDerWaalsContact O-N 3.08Å; E879-K883 WeakPolarHBondContact OE1-CE 3.49Å; E879-K883 IonicContact OE1-NZ 2.61Å; E879-K883 PolarHBondContact OE1-NZ 3.17Å; Y880-K883 PolarHBondContact O-N 2.96Å; K883-E885 PolarHBondContact O-N 3.04Å; K883-V886 PolarHBondContact O-N 2.78Å; K883-E887 WeakPolarHBondContact O-CB 3.21Å; K883-E887 WeakPolarHBondContact O-CG 3.22Å; K883-E887 PolarHBondContact O-N 3.16Å
884	Y	89.9	Confident	89.5	Confident	37 Å²	37	84.3 Å²	84.3	15%	0.145	40%	0.395	C	S	.	.	H	α-helix	trans	-58.7	-44.1	177.2	173.7	-94.4	0	0	0	112	K194 D196 F197 Y880 L881 E887 R888	K194-Y884 HydrophobicContact CB-CE1 4.03Å; K194-Y884 HydrophobicContact CD-CD1 4.49Å; K194-Y884 HydrophobicContact CD-CE1 4.03Å; K194-Y884 HydrophobicContact CG-CE1 3.88Å; D196-Y884 HydrophobicContact CB-CE2 4.42Å; F197-Y884 HydrophobicContact CB-CD2 4.29Å; F197-Y884 HydrophobicContact CB-CE2 4.19Å; F197-Y884 HydrophobicContact CD2-CD1 4.38Å; F197-Y884 HydrophobicContact CD2-CD2 4.08Å; F197-Y884 AromaticContact CD2-CG 3.86Å; F197-Y884 HydrophobicContact CD2-CG 3.86Å; Y880-Y884 WeakPolarHBondContact O-CB 3.41Å; Y880-Y884 PolarHBondContact O-N 3.45Å; L881-Y884 PolarHBondContact O-N 2.98Å; Y884-E887 PolarHBondContact O-N 2.75Å; Y884-R888 VanDerWaalsContact O-CB 3.26Å; Y884-R888 WeakPolarHBondContact O-CB 3.18Å; Y884-R888 PolarHBondContact O-N 3.38Å
885	E	89.8	Confident	89.1	Confident	76 Å²	76	80.7 Å²	80.7	36%	0.355	39%	0.393	S	S	.	.	H	α-helix	trans	-67.9	-39.5	178.1	-72.3	177.9	177.4	0	0	112.3	K194 L881 H882 K883 R888 L889	K194-E885 IonicContact NZ-OE1 2.88Å; K194-E885 PolarHBondContact NZ-OE1 3.4Å; L881-E885 WeakPolarHBondContact O-CG 3.38Å; L881-E885 PolarHBondContact O-N 3.34Å; H882-E885 PolarHBondContact O-N 3.13Å; K883-E885 PolarHBondContact O-N 3.04Å; E885-R888 PolarHBondContact O-N 3.39Å; E885-L889 WeakPolarHBondContact O-CB 3.2Å; E885-L889 VanDerWaalsContact O-CG 3.24Å; E885-L889 WeakPolarHBondContact O-CG 3.24Å; E885-L889 PolarHBondContact O-N 3.23Å
886	V	92.4	Very high	88.3	Confident	49 Å²	49	76.9 Å²	76.9	30%	0.297	39%	0.386	S	S	.	.	H	α-helix	trans	-64.5	-38.9	173.5	167.2	0	0	0	0	112	H882 K883 K890	H882-V886 WeakPolarHBondContact O-CB 3.41Å; H882-V886 VanDerWaalsContact O-CG2 3.32Å; H882-V886 WeakPolarHBondContact O-CG2 3.44Å; H882-V886 PolarHBondContact O-N 3.09Å; K883-V886 PolarHBondContact O-N 2.78Å; V886-K890 HydrophobicContact CG1-CD 4.34Å; V886-K890 VanDerWaalsContact O-CG 3.28Å; V886-K890 WeakPolarHBondContact O-CG 3.47Å; V886-K890 PolarHBondContact O-N 3.01Å
887	E	90.3	Very high	87.3	Confident	119 Å²	119	83.3 Å²	83.3	56%	0.556	41%	0.414	S	S	*	.	H	α-helix	trans	-70.9	-43.2	176.8	-74.6	177.2	178.8	0	0	112.1	K883 Y884 L889 K890 V891	K883-E887 WeakPolarHBondContact O-CB 3.21Å; K883-E887 WeakPolarHBondContact O-CG 3.22Å; K883-E887 PolarHBondContact O-N 3.16Å; Y884-E887 PolarHBondContact O-N 2.75Å; E887-L889 VanDerWaalsContact C-N 3.33Å; E887-L889 PolarHBondContact O-N 3.22Å; E887-K890 WeakPolarHBondContact O-CB 3.4Å; E887-K890 PolarHBondContact O-N 2.98Å; E887-V891 WeakPolarHBondContact O-CG2 3.29Å; E887-V891 PolarHBondContact O-N 3.16Å
888	R	87.4	Confident	86	Confident	96 Å²	96	89 Å²	89	36%	0.362	44%	0.443	S	S	.	.	H	α-helix	trans	-58	-43.1	172.2	177.2	172.6	169.2	153.9	-6.6	112	N193 Y884 E885 V891 Q892	N193-R888 PolarHBondContact O-NH1 3.23Å; Y884-R888 VanDerWaalsContact O-CB 3.26Å; Y884-R888 WeakPolarHBondContact O-CB 3.18Å; Y884-R888 PolarHBondContact O-N 3.38Å; E885-R888 PolarHBondContact O-N 3.39Å; R888-V891 PolarHBondContact O-N 3.18Å; R888-Q892 WeakPolarHBondContact O-CB 3.46Å; R888-Q892 WeakPolarHBondContact O-CG 3.17Å; R888-Q892 PolarHBondContact O-N 3.49Å
889	L	88.8	Confident	84.2	Confident	94 Å²	94	87.7 Å²	87.7	49%	0.492	45%	0.445	S	S	.	.	H	α-helix	trans	-64.3	-43.5	174.6	-74.9	168.6	0	0	0	111.9	E885 E887 V891 Q892 L893	E885-L889 WeakPolarHBondContact O-CB 3.2Å; E885-L889 VanDerWaalsContact O-CG 3.24Å; E885-L889 WeakPolarHBondContact O-CG 3.24Å; E885-L889 PolarHBondContact O-N 3.23Å; E887-L889 VanDerWaalsContact C-N 3.33Å; E887-L889 PolarHBondContact O-N 3.22Å; L889-V891 VanDerWaalsContact C-N 3.33Å; L889-V891 PolarHBondContact O-N 2.84Å; L889-Q892 PolarHBondContact O-N 3.1Å; L889-L893 WeakPolarHBondContact O-CD1 3.48Å; L889-L893 PolarHBondContact O-N 3.09Å
890	K	90.6	Very high	81.7	Confident	131 Å²	131	92.3 Å²	92.3	57%	0.57	47%	0.466	S	S	*	.	H	α-helix	trans	-58	-44.4	173.9	-73.9	165.8	-175.4	169.3	0	111.9	V886 E887 L893 S894	V886-K890 HydrophobicContact CG1-CD 4.34Å; V886-K890 VanDerWaalsContact O-CG 3.28Å; V886-K890 WeakPolarHBondContact O-CG 3.47Å; V886-K890 PolarHBondContact O-N 3.01Å; E887-K890 WeakPolarHBondContact O-CB 3.4Å; E887-K890 PolarHBondContact O-N 2.98Å; K890-L893 PolarHBondContact O-N 2.74Å; K890-S894 WeakPolarHBondContact O-CB 2.95Å; K890-S894 PolarHBondContact O-N 2.79Å; K890-S894 PolarHBondContact O-OG 3.3Å
891	V	87.9	Confident	79.4	Confident	96 Å²	96	94.9 Å²	94.9	58%	0.582	49%	0.491	S	S	*	.	H	α-helix	trans	-62	-47.3	176.5	172	0	0	0	0	110.5	E887 R888 L889 L893 S894 A895	E887-V891 WeakPolarHBondContact O-CG2 3.29Å; E887-V891 PolarHBondContact O-N 3.16Å; R888-V891 PolarHBondContact O-N 3.18Å; L889-V891 VanDerWaalsContact C-N 3.33Å; L889-V891 PolarHBondContact O-N 2.84Å; V891-L893 PolarHBondContact O-N 3.09Å; V891-S894 WeakPolarHBondContact CA-OG 3.19Å; V891-S894 PolarHBondContact O-N 3.23Å; V891-S894 PolarHBondContact O-OG 3.11Å; V891-A895 PolarHBondContact O-N 2.81Å
892	Q	87.4	Confident	77	Confident	105 Å²	105	105 Å²	105	49%	0.491	53%	0.527	S	S	.	.	H	α-helix	trans	-59.9	-46.2	177.8	-74.5	177.5	-33.2	0	0	112.7	R888 L889 A895 S896	R888-Q892 WeakPolarHBondContact O-CB 3.46Å; R888-Q892 WeakPolarHBondContact O-CG 3.17Å; R888-Q892 PolarHBondContact O-N 3.49Å; L889-Q892 PolarHBondContact O-N 3.1Å; Q892-A895 PolarHBondContact O-N 3.01Å; Q892-S896 PolarHBondContact O-N 3Å; Q892-S896 PolarHBondContact O-OG 2.69Å
893	L	90.2	Very high	74.3	Confident	95 Å²	95	104.4 Å²	104.4	50%	0.497	54%	0.537	S	S	.	.	H	α-helix	trans	-63.1	-42.2	174.4	-87.7	88.4	0	0	0	111.9	L889 K890 V891 A895 S896 F897	L889-L893 WeakPolarHBondContact O-CD1 3.48Å; L889-L893 PolarHBondContact O-N 3.09Å; K890-L893 PolarHBondContact O-N 2.74Å; V891-L893 PolarHBondContact O-N 3.09Å; L893-A895 VanDerWaalsContact C-N 3.28Å; L893-A895 PolarHBondContact O-N 3.42Å; L893-S896 WeakPolarHBondContact CA-OG 3.32Å; L893-S896 PolarHBondContact O-N 3.13Å; L893-S896 PolarHBondContact O-OG 2.72Å; L893-F897 HydrophobicContact CB-CE2 4.47Å; L893-F897 HydrophobicContact CD2-CE2 4.39Å; L893-F897 WeakPolarHBondContact O-CD2 3.46Å; L893-F897 PolarHBondContact O-N 3.08Å
894	S	85.8	Confident	71.9	Confident	61 Å²	61	108.3 Å²	108.3	43%	0.427	56%	0.557	S	S	.	*	H	α-helix	trans	-63.1	-35.4	178.7	74.4	0	0	0	0	112.3	K890 V891 I898	K890-S894 WeakPolarHBondContact O-CB 2.95Å; K890-S894 PolarHBondContact O-N 2.79Å; K890-S894 PolarHBondContact O-OG 3.3Å; V891-S894 WeakPolarHBondContact CA-OG 3.19Å; V891-S894 PolarHBondContact O-N 3.23Å; V891-S894 PolarHBondContact O-OG 3.11Å; S894-I898 WeakPolarHBondContact O-CD1 3.15Å; S894-I898 VanDerWaalsContact O-CG1 3.32Å; S894-I898 WeakPolarHBondContact O-CG1 3.33Å; S894-I898 PolarHBondContact O-N 3.04Å
895	A	79.8	Confident	69.2	Low	52 Å²	52	112.7 Å²	112.7	43%	0.43	59%	0.587	S	S	.	*	H	α-helix	trans	-68.6	-43.6	174.3	0	0	0	0	0	111.7	V891 Q892 L893 F897 I898 T899	V891-A895 PolarHBondContact O-N 2.81Å; Q892-A895 PolarHBondContact O-N 3.01Å; L893-A895 VanDerWaalsContact C-N 3.28Å; L893-A895 PolarHBondContact O-N 3.42Å; A895-F897 VanDerWaalsContact C-N 3.33Å; A895-F897 PolarHBondContact O-N 2.75Å; A895-I898 PolarHBondContact O-N 3.43Å; A895-I898 VanDerWaalsContact O-N 3.08Å; A895-T899 PolarHBondContact O-N 3.43Å; A895-T899 PolarHBondContact O-OG1 3.29Å
896	S	74.9	Confident	66.5	Low	59 Å²	59	113.9 Å²	113.9	41%	0.413	60%	0.604	S	S	.	*	H	α-helix	trans	-63.2	-38	177.7	53.5	0	0	0	0	112.8	Q892 L893 I898 T899	Q892-S896 PolarHBondContact O-N 3Å; Q892-S896 PolarHBondContact O-OG 2.69Å; L893-S896 WeakPolarHBondContact CA-OG 3.32Å; L893-S896 PolarHBondContact O-N 3.13Å; L893-S896 PolarHBondContact O-OG 2.72Å; S896-I898 PolarHBondContact O-N 2.86Å; S896-T899 WeakPolarHBondContact CA-OG1 3.5Å; S896-T899 PolarHBondContact O-N 3.41Å; S896-T899 VanDerWaalsContact O-N 3.16Å; S896-T899 PolarHBondContact O-OG1 2.91Å
897	F	66.1	Low	63.9	Low	152 Å²	152	119.4 Å²	119.4	67%	0.667	63%	0.631	S	S	*	*	H	α-helix	trans	-68	-12.8	174.9	-77.3	-58.9	0	0	0	114.4	L893 A895	L893-F897 HydrophobicContact CB-CE2 4.47Å; L893-F897 HydrophobicContact CD2-CE2 4.39Å; L893-F897 WeakPolarHBondContact O-CD2 3.46Å; L893-F897 PolarHBondContact O-N 3.08Å; A895-F897 VanDerWaalsContact C-N 3.33Å; A895-F897 PolarHBondContact O-N 2.75Å
898	I	60	Low	61.1	Low	144 Å²	144	120.3 Å²	120.3	74%	0.738	65%	0.645	S	S	*	*	H	α-helix	trans	-92.3	-21.8	174.4	-69	165.9	0	0	0	111.3	S894 A895 S896	S894-I898 WeakPolarHBondContact O-CD1 3.15Å; S894-I898 VanDerWaalsContact O-CG1 3.32Å; S894-I898 WeakPolarHBondContact O-CG1 3.33Å; S894-I898 PolarHBondContact O-N 3.04Å; A895-I898 PolarHBondContact O-N 3.43Å; A895-I898 VanDerWaalsContact O-N 3.08Å; S896-I898 PolarHBondContact O-N 2.86Å
899	T	52.7	Low	59.1	Low	112 Å²	112	121.4 Å²	121.4	69%	0.687	66%	0.664	S	S	*	*	H	α-helix	trans	-89.1	-11.2	-178.3	44.7	0	0	0	0	115.6	A895 S896 P901	A895-T899 PolarHBondContact O-N 3.43Å; A895-T899 PolarHBondContact O-OG1 3.29Å; S896-T899 WeakPolarHBondContact CA-OG1 3.5Å; S896-T899 PolarHBondContact O-N 3.41Å; S896-T899 VanDerWaalsContact O-N 3.16Å; S896-T899 PolarHBondContact O-OG1 2.91Å; T899-P901 WeakPolarHBondContact O-CD 3.27Å
900	E	40.7	Very low	56.2	Low	150 Å²	150	125 Å²	125	70%	0.701	68%	0.684	S	S	*	*	S	Bend	trans	-86.9	116.8	171	-69.8	-166.4	144.4	0	0	111.2	R902	E900-R902 PolarHBondContact O-N 3.15Å
901	P	39.9	Very low	53.8	Low	116 Å²	116	127.7 Å²	127.7	75%	0.753	70%	0.696	S	S	*	*			trans	-70.5	131.3	170.6	30	-32.8	0	0	0	109.5	T899 S903	T899-P901 WeakPolarHBondContact O-CD 3.27Å; P901-S903 PolarHBondContact O-N 2.89Å
902	R	39.6	Very low	51.2	Low	241 Å²	241	131.8 Å²	131.8	91%	0.909	71%	0.708	S	S	*	*			trans	-55.4	106.4	178.3	-74.9	-178.9	173.4	177.9	-2.7	112.1	E900	E900-R902 PolarHBondContact O-N 3.15Å
903	S	33.7	Very low	48.5	Very low	113 Å²	113	134.8 Å²	134.8	79%	0.79	72%	0.722	S	S	*	*			trans	-91.1	126.5	149.5	43.1	0	0	0	0	108.7	P901	P901-S903 PolarHBondContact O-N 2.89Å
904	E	42.4	Very low	45.9	Very low	177 Å²	177	137 Å²	137	83%	0.827	74%	0.74	S	S	*	*			trans	-86.8	120.2	-179.8	-60.2	-178.5	133.5	0	0	111.2
905	T	33.3	Very low	43.4	Very low	128 Å²	128	139.8 Å²	139.8	79%	0.785	75%	0.754	S	S	*	*			trans	-156.2	115.9	152.4	7.9	0	0	0	0	114.5
906	S	32.9	Very low	41.5	Very low	102 Å²	102	142.2 Å²	142.2	71%	0.713	77%	0.767	S	S	*	*			trans	38	118.7	141.5	59	0	0	0	0	122
907	L	37.6	Very low	39.9	Very low	164 Å²	164	148 Å²	148	86%	0.859	79%	0.788	S	S	*	*			trans	-31.5	140.3	159.2	-55.3	89.3	0	0	0	117.1
908	T	31.2	Very low	38.3	Very low	139 Å²	139	147 Å²	147	85%	0.853	80%	0.798	S	S	*	*				-168.1	160.9	102.3	18.3	0	0	0	0	111.3
909	P	45.1	Very low	37.2	Very low	118 Å²	118	149.4 Å²	149.4	77%	0.766	83%	0.828	S	S	*	*			trans	-104.1	129.5	-171.1	36	-28.3	0	0	0	113.5
910	D	29	Very low	36.4	Very low	169 Å²	169	151.3 Å²	151.3	90%	0.904	84%	0.835	S	S	*	*			trans	-110.3	141.3	163	-101.7	-43.5	0	0	0	111.4
911	K	40.6	Very low	36.2	Very low	189 Å²	189	151.3 Å²	151.3	82%	0.822	84%	0.842	S	S	*	*			trans	-91.1	140.1	171.8	-64.4	173.5	178.8	175.7	0	108.7
912	H	31.5	Very low	35.9	Very low	182 Å²	182	153.3 Å²	153.3	84%	0.843	85%	0.847	S	S	*	*			trans	-140.3	155.2	147.1	-102.2	-69.9	0	0	0	111.1
913	E	32	Very low	35.7	Very low	168 Å²	168	148.1 Å²	148.1	79%	0.785	84%	0.843	S	S	*	*			trans	-90.5	150.4	-158.9	-67.2	155.8	117.2	0	0	113.1	V915	E913-V915 PolarHBondContact O-N 3.11Å
914	V	35.5	Very low	35.9	Very low	142 Å²	142	150.3 Å²	150.3	86%	0.861	85%	0.846	S	S	*	*			trans	-79.7	101.8	167.8	179	0	0	0	0	108.2
915	V	32.8	Very low	35.4	Very low	119 Å²	119	148.5 Å²	148.5	72%	0.721	85%	0.847	S	S	*	*			trans	-86.1	109.3	167.8	-179.3	0	0	0	0	108.5	E913 E917	E913-V915 PolarHBondContact O-N 3.11Å; V915-E917 HydrophobicContact CG1-CG 4.12Å
916	S	40.9	Very low	35.6	Very low	103 Å²	103	150 Å²	150	72%	0.72	85%	0.852	S	S	*	*			trans	-91.4	111.1	168.9	57.6	0	0	0	0	110
917	E	39.7	Very low	35.8	Very low	181 Å²	181	153.7 Å²	153.7	85%	0.846	86%	0.863	S	S	*	*			trans	-100	122.1	166.1	-69.2	-167.3	138	0	0	110.2	V915	V915-E917 HydrophobicContact CG1-CG 4.12Å
918	C	33.2	Very low	35.6	Very low	130 Å²	130	152.8 Å²	152.8	88%	0.878	86%	0.863	S	S	*	*			trans	-108.9	124.5	165.3	-65.7	0	0	0	0	108.7
919	S	36	Very low	36	Very low	194 Å²	194	154.1 Å²	154.1	100%	1.357	86%	0.864	S	S	*	*			trans	-153.4	0	168.3	65	0	0	0	0	110.2

Retrieved 919 of 919 residues in 2396 ms (Link to these results)

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