A0A096MU89_PAPAN Loading...

SNF2 related chromatin remodeling ATPase 1

AlphaFold DB (P28370), UniProt , Accession A0A096MU89, Species PAPAN (Papio anubis, Olive baboon), Gene SMARCA1, Length 1,054 aa.

						>A0A096MU89_PAPAN|A0A096MU89|SMARCA1
MEQDTAAVAATVAAADATATIVVIEDEQPGPSTSQEEGAAAAATEATAATEKGEKKKEKNVSSFQLKLAAKAPKSEKEMDPEYEEKMKADRAKRFEFLLKQTELFAHFIQPSAQKSPTSPLNMKLGRPRIKKDEKQSLISAGDYRHRRTEQEEDEELLSESRKTSNVCIRFEVSPSYVKGGPLRDYQIRGLNWLISLYENGVNGILADEMGLGKTLQTIALLGYLKHYRNIPGPHMVLVPKSTLHNWMNEFKRWVPSLRVICFVGDKDARAAFIRDEMMPGEWDVCVTSYEMVIKEKSVFKKFHWRYLVIDEAHRIKNEKSKLSEIVREFKSTNRLLLTGTPLQNNLHELWALLNFLLPDVFNSADDFDSWFDTKNCLGDQKLVERLHAVLKPFLLRRIKTDVEKSLPPKKEIKIYLGLSKMQREWYTKILMKDIDVLNSSGKMDKMRLLNILMQLRKCCNHPYLFDGAEPGPPYTTDEHIVSNSGKMVVLDKLLAKLKEQGSRVLIFSQMTRLLDILEDYCMWRGYEYCRLDGQTPHEEREDKFLEVEFLGQREAIEAFNAPNSSKFIFMLSTRAGGLGINLASADVVILYDSDWNPQVDLQAMDRAHRIGQKKPVRVFRLITDNTVEERIVERAEIKLRLDSIVIQQGRLIDQQSNKLAKEEMLQMIRHGATHVFASKESELTDEDITTILERGEKKTAEMNERLQKMGESSLRNFRMDIEQSLYKFEGEDYREKQKLGMVEWIEPPKRERKANYAVDAYFREALRVSEPKIPKAPRPPKQPNVQDFQFFPPRLFELLEKEILYYRKTIGYKVPRNPDIPNPALAQREEQKKIDGAEPLTPEETEEKEKLLTQGFTNWTKRDFNQFIKANEKYGRDDIDNIAREVEGKSPEEVMEYSAVFWERCNELQDIEKIMAQIERGEARIQRRISIKKALDAKIARYKAPFHQLRIQYGTSKGKNYTEEEDRFLICMLHKMGFDRENVYEELRQCVRNAPQFRFDWFIKSRTAMEFQRRCNTLISLIEKENMEIEERERAEKKKRATKTPMVKFSAFS
					

Structure Viewer

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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	34.9	Very low	33.4	Very low	244 Å²	244	132.9 Å²	132.9	100%	1.202	79%	0.792	S	S	*	*				0	63.4	0	-78.6	-178	164.2	0	0	107.8
2	E	29.1	Very low	33.3	Very low	184 Å²	184	132.8 Å²	132.8	86%	0.86	79%	0.792	S	S	*	*			trans	-120.1	28	-147.6	-120.1	177.3	-176.1	0	0	114.1
3	Q	31.1	Very low	33	Very low	183 Å²	183	129.8 Å²	129.8	86%	0.855	79%	0.791	S	S	*	*	S	Bend	trans	-130	6.3	-177.8	-78.4	-170.8	-11.9	0	0	117.2
4	D	34.1	Very low	32.6	Very low	157 Å²	157	127.6 Å²	127.6	84%	0.84	79%	0.793	S	S	*	*	S	Bend	trans	-107.1	6.3	179.9	-80.7	-25.3	0	0	0	115.8
5	T	36.6	Very low	32.4	Very low	127 Å²	127	125.6 Å²	125.6	78%	0.779	79%	0.794	S	S	*	*	S	Bend	trans	-96	-3.8	178.8	48.7	0	0	0	0	115
6	A	35.1	Very low	32	Very low	82 Å²	82	128.9 Å²	128.9	68%	0.678	80%	0.804	S	S	*	*	S	Bend	trans	-87.4	-17.8	-177	0	0	0	0	0	115
7	A	35	Very low	31.8	Very low	86 Å²	86	126.2 Å²	126.2	71%	0.711	80%	0.797	S	S	*	*	S	Bend	trans	-84.1	-14.2	-176.2	0	0	0	0	0	114.5
8	V	34.5	Very low	31.6	Very low	112 Å²	112	126.4 Å²	126.4	68%	0.679	80%	0.797	S	S	*	*	S	Bend	trans	-92.7	-14.7	-177.6	-176.3	0	0	0	0	112.5
9	A	33.7	Very low	31.2	Very low	80 Å²	80	124.8 Å²	124.8	66%	0.661	80%	0.797	S	S	*	*	S	Bend	trans	-87.2	-9.8	-177.8	0	0	0	0	0	114.7
10	A	32.3	Very low	30.9	Very low	82 Å²	82	124.6 Å²	124.6	68%	0.678	79%	0.794	S	S	*	*	S	Bend	trans	-93	-7.6	-174.7	0	0	0	0	0	115.2
11	T	31.2	Very low	30.6	Very low	125 Å²	125	125.7 Å²	125.7	77%	0.767	79%	0.792	S	S	*	*	S	Bend	trans	-97.8	3.4	-180	36.4	0	0	0	0	114.8
12	V	32	Very low	30.1	Very low	131 Å²	131	119.7 Å²	119.7	79%	0.794	77%	0.769	S	S	*	*	S	Bend	trans	-97.1	1	-179.4	-176.5	0	0	0	0	113.3
13	A	29.5	Very low	29.9	Very low	95 Å²	95	116.6 Å²	116.6	79%	0.785	76%	0.762	S	S	*	*	S	Bend	trans	-106.5	18.8	-171.8	0	0	0	0	0	116.7
14	A	27.8	Very low	29.6	Very low	99 Å²	99	114.9 Å²	114.9	82%	0.818	76%	0.757	S	S	*	*			trans	-147.1	68.5	178.4	0	0	0	0	0	113.4
15	A	28.5	Very low	29.3	Very low	97 Å²	97	115.8 Å²	115.8	80%	0.802	76%	0.756	S	S	*	*			trans	-153.4	47.9	161.7	0	0	0	0	0	111.3	A17	A15-A17 PolarHBondContact O-N 3.03Å
16	D	26.1	Very low	28.8	Very low	178 Å²	178	117.4 Å²	117.4	95%	0.952	76%	0.761	S	S	*	*			trans	-82.7	94.2	157.3	-101.1	-22.5	0	0	0	107.6
17	A	28.8	Very low	28.4	Very low	83 Å²	83	122.7 Å²	122.7	69%	0.686	77%	0.771	S	S	*	*			trans	-140.4	85	168	0	0	0	0	0	108.5	A15 A19	A15-A17 PolarHBondContact O-N 3.03Å; A17-A19 PolarHBondContact O-N 3.05Å
18	T	28.3	Very low	28	Very low	131 Å²	131	127.4 Å²	127.4	80%	0.804	78%	0.778	S	S	*	*			trans	13.6	92.6	148.7	52.9	0	0	0	0	115.2	T20	T18-T20 PolarHBondContact O-N 3.4Å
19	A	24.7	Very low	27.8	Very low	95 Å²	95	128.2 Å²	128.2	79%	0.785	79%	0.786	S	S	*	*			trans	-70.7	95.8	165.3	0	0	0	0	0	108.8	A17 I21	A17-A19 PolarHBondContact O-N 3.05Å; A19-I21 PolarHBondContact O-N 3.25Å; A19-I21 VanDerWaalsContact O-N 3.11Å
20	T	25.2	Very low	27.5	Very low	121 Å²	121	127.6 Å²	127.6	74%	0.742	79%	0.787	S	S	*	*			trans	-65.4	104.7	168.9	-38.7	0	0	0	0	108	T18 V22	T18-T20 PolarHBondContact O-N 3.4Å; T20-V22 PolarHBondContact O-N 3.14Å; T20-V22 VanDerWaalsContact O-N 3.12Å
21	I	24.3	Very low	27.6	Very low	147 Å²	147	129.6 Å²	129.6	75%	0.754	79%	0.793	S	S	*	*			trans	-68.2	105.8	171.6	-65.1	170.3	0	0	0	107	A19 V23	A19-I21 PolarHBondContact O-N 3.25Å; A19-I21 VanDerWaalsContact O-N 3.11Å; I21-V23 HydrophobicContact CG2-CG2 4.43Å; I21-V23 PolarHBondContact O-N 3.17Å; I21-V23 VanDerWaalsContact O-N 3.14Å
22	V	24.6	Very low	27.3	Very low	118 Å²	118	129.2 Å²	129.2	72%	0.715	80%	0.796	S	S	*	*			trans	-72.7	101.8	170.4	178.7	0	0	0	0	107.2	T20 I24	T20-V22 PolarHBondContact O-N 3.14Å; T20-V22 VanDerWaalsContact O-N 3.12Å; V22-I24 HydrophobicContact CG1-CG1 4.38Å; V22-I24 PolarHBondContact O-N 3.13Å
23	V	24.1	Very low	27.1	Very low	119 Å²	119	129.2 Å²	129.2	72%	0.721	80%	0.796	S	S	*	*			trans	-71	106.7	168.2	179.3	0	0	0	0	106.7	I21 E25	I21-V23 HydrophobicContact CG2-CG2 4.43Å; I21-V23 PolarHBondContact O-N 3.17Å; I21-V23 VanDerWaalsContact O-N 3.14Å; V23-E25 PolarHBondContact O-N 3.15Å
24	I	25.9	Very low	26.9	Very low	147 Å²	147	130.1 Å²	130.1	75%	0.754	80%	0.797	S	S	*	*			trans	-77.6	115.8	170.2	-61.3	173.6	0	0	0	105.9	V22 D26	V22-I24 HydrophobicContact CG1-CG1 4.38Å; V22-I24 PolarHBondContact O-N 3.13Å; I24-D26 PolarHBondContact O-N 2.74Å
25	E	26.7	Very low	26.9	Very low	176 Å²	176	134.1 Å²	134.1	82%	0.822	80%	0.799	S	S	*	*			trans	-61.3	120.9	178.7	-70	178.3	149.2	0	0	110.3	V23 E27	V23-E25 PolarHBondContact O-N 3.15Å; E25-E27 PolarHBondContact O-N 3.44Å; E25-E27 VanDerWaalsContact O-N 3.16Å
26	D	26.5	Very low	26.8	Very low	162 Å²	162	138.6 Å²	138.6	87%	0.866	80%	0.803	S	S	*	*			trans	-61.1	107.4	169.6	-89.2	-40.5	0	0	0	109.4	I24 Q28	I24-D26 PolarHBondContact O-N 2.74Å; D26-Q28 PolarHBondContact O-N 3.26Å
27	E	27.6	Very low	27	Very low	192 Å²	192	139.5 Å²	139.5	90%	0.897	80%	0.802	S	S	*	*			trans	-62.9	117.6	165.7	-83.8	-171	147.2	0	0	109.6	E25	E25-E27 PolarHBondContact O-N 3.44Å; E25-E27 VanDerWaalsContact O-N 3.16Å
28	Q	26	Very low	26.9	Very low	185 Å²	185	139.2 Å²	139.2	86%	0.864	81%	0.807	S	S	*	*			trans	-61	140.2	176.5	-73.3	-165.7	-21.9	0	0	112	D26 G30	D26-Q28 PolarHBondContact O-N 3.26Å; Q28-G30 PolarHBondContact O-N 3.25Å
29	P	30.8	Very low	27	Very low	130 Å²	130	137.9 Å²	137.9	84%	0.844	81%	0.809	S	S	*	*			trans	-76.5	115.4	-175.4	29.6	-32	0	0	0	111.5
30	G	27	Very low	27.1	Very low	66 Å²	66	138.2 Å²	138.2	68%	0.68	81%	0.812	S	S	*	*			trans	-72	151	169.8	0	0	0	0	0	112.8	Q28	Q28-G30 PolarHBondContact O-N 3.25Å
31	P	33.9	Very low	27.2	Very low	124 Å²	124	137.5 Å²	137.5	81%	0.805	82%	0.818	S	S	*	*			trans	-81.9	138.5	-157.9	32.5	-34	0	0	0	113.6	T33	P31-T33 PolarHBondContact O-N 3.04Å
32	S	24.8	Very low	27.4	Very low	117 Å²	117	135.2 Å²	135.2	82%	0.818	82%	0.821	S	S	*	*			trans	-67.6	103	173.9	54.5	0	0	0	0	112.1
33	T	28	Very low	27.5	Very low	131 Å²	131	134.1 Å²	134.1	80%	0.804	83%	0.825	S	S	*	*			trans	-97.2	98.3	159.6	35.5	0	0	0	0	109.3	P31 Q35	P31-T33 PolarHBondContact O-N 3.04Å; T33-Q35 PolarHBondContact O-N 3.3Å
34	S	25.6	Very low	27.7	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	83%	0.831	S	S	*	*			trans	-72.2	104.8	165.8	50.6	0	0	0	0	109.4
35	Q	26.9	Very low	27.8	Very low	182 Å²	182	137.2 Å²	137.2	85%	0.85	84%	0.838	S	S	*	*			trans	-103.3	114.1	160.9	-77.5	-173.3	-14.6	0	0	107.7	T33 E37	T33-Q35 PolarHBondContact O-N 3.3Å; Q35-E37 PolarHBondContact O-N 3.18Å
36	E	28.3	Very low	27.6	Very low	192 Å²	192	133.6 Å²	133.6	90%	0.897	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-64.5	118.7	174.8	-71	174.7	142.3	0	0	109.5	G38	E36-G38 PolarHBondContact O-N 3.43Å
37	E	28.7	Very low	27.7	Very low	197 Å²	197	132.7 Å²	132.7	92%	0.921	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-70.3	117.2	173.3	-72.4	-176.9	150.1	0	0	110.1	Q35	Q35-E37 PolarHBondContact O-N 3.18Å
38	G	27.2	Very low	27.5	Very low	77 Å²	77	128.4 Å²	128.4	79%	0.794	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-67.4	127.1	177.1	0	0	0	0	0	112.4	E36	E36-G38 PolarHBondContact O-N 3.43Å
39	A	29.7	Very low	27.6	Very low	102 Å²	102	124.4 Å²	124.4	84%	0.843	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-69.4	128.1	170.3	0	0	0	0	0	110.7	A41	A39-A41 PolarHBondContact O-N 3.47Å
40	A	28.1	Very low	27.3	Very low	103 Å²	103	124.8 Å²	124.8	85%	0.851	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-60.4	125.3	-177.8	0	0	0	0	0	112.8	A42	A40-A42 PolarHBondContact O-N 3.08Å
41	A	26.1	Very low	27.3	Very low	105 Å²	105	131.3 Å²	131.3	87%	0.868	85%	0.847	S	S	*	*			trans	-75.7	112.6	172.1	0	0	0	0	0	110.4	A39	A39-A41 PolarHBondContact O-N 3.47Å
42	A	29.4	Very low	26.8	Very low	100 Å²	100	135.5 Å²	135.5	83%	0.826	85%	0.853	S	S	*	*			trans	-90.2	110.9	164.6	0	0	0	0	0	108.7	A40	A40-A42 PolarHBondContact O-N 3.08Å
43	A	25.5	Very low	26.7	Very low	95 Å²	95	133.3 Å²	133.3	79%	0.785	85%	0.849	S	S	*	*			trans	-76.5	126.7	176.9	0	0	0	0	0	110.8
44	T	29	Very low	26.6	Very low	141 Å²	141	136.2 Å²	136.2	87%	0.865	85%	0.853	S	S	*	*			trans	-135.7	117.6	158.2	46	0	0	0	0	108.4
45	E	28	Very low	26.5	Very low	189 Å²	189	140 Å²	140	88%	0.883	86%	0.855	S	S	*	*			trans	-64.8	144.2	-167.5	-68.5	171.1	138.6	0	0	114.1
46	A	23.2	Very low	26.5	Very low	101 Å²	101	141.6 Å²	141.6	84%	0.835	86%	0.859	S	S	*	*			trans	-76	128.4	169.3	0	0	0	0	0	110.6
47	T	28.5	Very low	26.3	Very low	143 Å²	143	141.6 Å²	141.6	88%	0.877	86%	0.857	S	S	*	*			trans	-128.1	111.3	154.8	40.9	0	0	0	0	108.9
48	A	24.1	Very low	26.1	Very low	102 Å²	102	141 Å²	141	84%	0.843	85%	0.854	S	S	*	*			trans	-86.9	131.9	170.5	0	0	0	0	0	109.1
49	A	27.9	Very low	26.1	Very low	101 Å²	101	146.7 Å²	146.7	84%	0.835	86%	0.857	S	S	*	*			trans	-158.8	109.6	153.4	0	0	0	0	0	109.8
50	T	23.1	Very low	25.9	Very low	137 Å²	137	150 Å²	150	84%	0.84	86%	0.86	S	S	*	*			trans	-59.8	137.8	165.9	41.6	0	0	0	0	112.3
51	E	26.9	Very low	25.9	Very low	203 Å²	203	151.7 Å²	151.7	95%	0.949	86%	0.86	S	S	*	*			trans	-158.3	142.7	140.5	-115.1	171.9	-161	0	0	113.2
52	K	23.2	Very low	25.9	Very low	213 Å²	213	151.8 Å²	151.8	93%	0.926	85%	0.854	S	S	*	*			trans	-85.8	148.6	-168.7	-68.2	166.1	171.8	170.6	0	111
53	G	24.5	Very low	25.8	Very low	71 Å²	71	151.6 Å²	151.6	73%	0.732	85%	0.847	S	S	*	*			trans	-174	84.8	169.3	0	0	0	0	0	116.3
54	E	25	Very low	25.9	Very low	191 Å²	191	155.6 Å²	155.6	89%	0.893	85%	0.846	S	S	*	*			trans	59.9	96.1	140.4	-59.9	-169.7	142.3	0	0	122.9
55	K	23.3	Very low	25.7	Very low	194 Å²	194	157.1 Å²	157.1	84%	0.843	84%	0.844	S	S	*	*				17.5	103	125.3	-67.3	175.5	178.4	169.3	0	118.1
56	K	27.8	Very low	25.7	Very low	216 Å²	216	155 Å²	155	94%	0.939	84%	0.837	S	S	*	*			trans	-110	108.1	145.5	-86.8	-177.5	175.2	178	0	109.8
57	K	23.5	Very low	25.8	Very low	193 Å²	193	160.1 Å²	160.1	84%	0.839	84%	0.841	S	S	*	*			trans	-89.3	108.7	172.3	-83.1	179.7	170.4	-179	0	108.6
58	E	25.1	Very low	25.7	Very low	184 Å²	184	161.1 Å²	161.1	86%	0.86	84%	0.84	S	S	*	*			trans	-135.3	105.5	159.3	-76.6	-166.8	145.9	0	0	111.5
59	K	26.5	Very low	25.9	Very low	197 Å²	197	161 Å²	161	86%	0.857	84%	0.839	S	S	*	*			trans	46.5	86.9	144	-65.9	177.7	178.1	173.8	0	118	V61	K59-V61 PolarHBondContact O-N 3.43Å; K59-V61 VanDerWaalsContact O-N 3.15Å
60	N	25.7	Very low	25.9	Very low	172 Å²	172	161 Å²	161	92%	0.92	84%	0.839	S	S	*	*			trans	-58.5	106.9	155.4	-87.6	-22.3	0	0	0	110.8	S62	N60-S62 PolarHBondContact O-N 2.99Å
61	V	27.6	Very low	26.1	Very low	138 Å²	138	164.2 Å²	164.2	84%	0.836	84%	0.841	S	S	*	*			trans	-78.7	113.4	160.9	178.2	0	0	0	0	107.3	K59 S63	K59-V61 PolarHBondContact O-N 3.43Å; K59-V61 VanDerWaalsContact O-N 3.15Å; V61-S63 PolarHBondContact O-N 3.27Å
62	S	25.5	Very low	26.1	Very low	106 Å²	106	158.4 Å²	158.4	74%	0.741	83%	0.828	S	S	*	*			trans	-54.9	96.9	178.6	146.9	0	0	0	0	111.8	N60 F64	N60-S62 PolarHBondContact O-N 2.99Å; S62-F64 PolarHBondContact O-N 3.39Å
63	S	28.5	Very low	26.7	Very low	97 Å²	97	154.5 Å²	154.5	68%	0.678	82%	0.824	S	S	*	*			trans	-80.1	108.7	163.1	71.6	0	0	0	0	108.8	V61 Q65	V61-S63 PolarHBondContact O-N 3.27Å; S63-Q65 PolarHBondContact O-N 2.79Å
64	F	26.6	Very low	27	Very low	178 Å²	178	160.8 Å²	160.8	78%	0.781	83%	0.831	S	S	*	*			trans	-57.2	87.5	177.7	-162.6	-99.8	0	0	0	111.2	S62 L66	S62-F64 PolarHBondContact O-N 3.39Å; F64-L66 HydrophobicContact CD1-CG 4.34Å; F64-L66 HydrophobicContact CE1-CG 4.18Å; F64-L66 PolarHBondContact O-N 3.35Å
65	Q	26.1	Very low	27.2	Very low	174 Å²	174	156.7 Å²	156.7	81%	0.813	82%	0.824	S	S	*	*			trans	-79.5	98.7	170.5	-82.6	-176.9	-9.7	0	0	109.2	S63 K67	S63-Q65 PolarHBondContact O-N 2.79Å; Q65-K67 PolarHBondContact O-N 3.47Å; Q65-K67 VanDerWaalsContact O-N 3.1Å
66	L	27.6	Very low	27.8	Very low	143 Å²	143	156.4 Å²	156.4	75%	0.749	83%	0.826	S	S	*	*			trans	-52.2	111.6	160.8	-90.7	150.9	0	0	0	108.8	F64 L68	F64-L66 HydrophobicContact CD1-CG 4.34Å; F64-L66 HydrophobicContact CE1-CG 4.18Å; F64-L66 PolarHBondContact O-N 3.35Å; L66-L68 VanDerWaalsContact C-N 3.27Å; L66-L68 PolarHBondContact O-N 3.45Å
67	K	24.4	Very low	28.4	Very low	210 Å²	210	155.4 Å²	155.4	91%	0.913	82%	0.821	S	S	*	*			trans	-60.7	84.1	172.2	-73.4	177.6	175.1	176.5	0	110.2	Q65 A69	Q65-K67 PolarHBondContact O-N 3.47Å; Q65-K67 VanDerWaalsContact O-N 3.1Å; K67-A69 PolarHBondContact O-N 3.4Å
68	L	27.4	Very low	29.3	Very low	164 Å²	164	155.3 Å²	155.3	86%	0.859	82%	0.824	S	S	*	*			trans	-81.6	110	155.7	-82.5	163.5	0	0	0	106.9	L66 A70	L66-L68 VanDerWaalsContact C-N 3.27Å; L66-L68 PolarHBondContact O-N 3.45Å; L68-A70 PolarHBondContact O-N 3Å
69	A	28.6	Very low	30.2	Very low	98 Å²	98	151.4 Å²	151.4	81%	0.81	81%	0.807	S	S	*	*			trans	-53.2	105.6	178.8	0	0	0	0	0	110.3	K67 K71	K67-A69 PolarHBondContact O-N 3.4Å; A69-K71 PolarHBondContact O-N 3.06Å
70	A	26.1	Very low	31.9	Very low	102 Å²	102	144.7 Å²	144.7	84%	0.843	78%	0.78	S	S	*	*			trans	-67	93.1	173.8	0	0	0	0	0	109.5	L68 A72	L68-A70 PolarHBondContact O-N 3Å; A70-A72 PolarHBondContact O-N 2.86Å
71	K	27.8	Very low	34	Very low	205 Å²	205	141.2 Å²	141.2	89%	0.891	77%	0.767	S	S	*	*			trans	-72.2	112	155.4	-88.3	-178.4	174.9	174.7	0	107.1	A69	A69-K71 PolarHBondContact O-N 3.06Å
72	A	28.3	Very low	35.9	Very low	81 Å²	81	140.7 Å²	140.7	67%	0.669	76%	0.756	S	S	*	*			trans	-47	146.1	173.2	0	0	0	0	0	111.6	A70 K74	A70-A72 PolarHBondContact O-N 2.86Å; A72-K74 PolarHBondContact O-N 3.37Å
73	P	34.8	Very low	38.2	Very low	130 Å²	130	137 Å²	137	84%	0.844	73%	0.725	S	S	*	*			trans	-70.9	107.9	-168	30	-32	0	0	0	108.8	S75	P73-S75 PolarHBondContact O-N 3.27Å
74	K	30.2	Very low	40.4	Very low	203 Å²	203	136.2 Å²	136.2	88%	0.883	71%	0.711	S	S	*	*			trans	-62	110.8	169	-77.2	-172	172.5	-169.4	0	107.9	A72	A72-K74 PolarHBondContact O-N 3.37Å
75	S	30.6	Very low	42.7	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	71%	0.706	S	S	*	*			trans	-36.7	135.2	163.9	46.4	0	0	0	0	111.8	P73	P73-S75 PolarHBondContact O-N 3.27Å
76	E	34.3	Very low	45	Very low	188 Å²	188	128.5 Å²	128.5	88%	0.879	68%	0.677	S	S	*	*	S	Bend	trans	29.5	97.9	162.1	-63.6	-176.5	163.6	0	0	115.3	E78	E76-E78 PolarHBondContact O-N 3.2Å
77	K	41	Very low	47.3	Very low	196 Å²	196	124 Å²	124	85%	0.852	65%	0.653	S	S	*	*			trans	-33.8	108.9	171.6	-77	-177.3	173.6	-175.5	0	110.5	M79	K77-M79 PolarHBondContact O-N 3.17Å
78	E	41.9	Very low	49.7	Very low	191 Å²	191	121.1 Å²	121.1	89%	0.893	64%	0.64	S	S	*	*			trans	-44.3	123.9	166.3	-72.8	173.2	153.3	0	0	107.8	E76 D80	E76-E78 PolarHBondContact O-N 3.2Å; E78-D80 PolarHBondContact O-N 3.39Å
79	M	45.9	Very low	52.1	Low	101 Å²	101	115.6 Å²	115.6	50%	0.498	62%	0.619	S	S	.	*			trans	-58.8	136.7	-178.1	-66.5	-151.8	-55.7	0	0	109.8	K77 P81 E84	K77-M79 PolarHBondContact O-N 3.17Å; M79-P81 WeakPolarHBondContact O-CD 3.4Å; M79-E84 HydrophobicContact CE-CG 4.36Å; M79-E84 WeakPolarHBondContact CE-OE1 3.22Å
80	D	61.9	Low	54.5	Low	56 Å²	56	111.4 Å²	111.4	30%	0.299	58%	0.582	S	S	.	*			trans	-56.1	104.5	179	-179.8	11.7	0	0	0	109.9	E78 E82 Y83 E84 R306	E78-D80 PolarHBondContact O-N 3.39Å; D80-E82 PolarHBondContact O-N 3.33Å; D80-E82 WeakPolarHBondContact OD1-CB 3.19Å; D80-E82 PolarHBondContact OD1-N 3.08Å; D80-Y83 WeakPolarHBondContact O-CB 3.36Å; D80-Y83 PolarHBondContact O-N 2.96Å; D80-E84 PolarHBondContact O-N 2.76Å; D80-R306 IonicContact OD2-CZ 3.26Å; D80-R306 IonicContact OD2-NH1 2.73Å; D80-R306 IonicContact OD2-NH2 3.63Å; D80-R306 PolarHBondContact OD2-NH2 2.84Å
81	P	68.1	Low	56.8	Low	99 Å²	99	113.1 Å²	113.1	64%	0.643	57%	0.567	S	S	*	*	H	α-helix	trans	-63.4	-30.9	-173.6	23.9	-31	0	0	0	111.6	M79 Y83 E84 E85	M79-P81 WeakPolarHBondContact O-CD 3.4Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.09Å; P81-E84 PolarHBondContact O-N 3.25Å; P81-E85 PolarHBondContact O-N 3.44Å; P81-E85 VanDerWaalsContact O-N 3.07Å
82	E	69.2	Low	59	Low	128 Å²	128	106.4 Å²	106.4	60%	0.598	55%	0.55	S	S	*	.	H	α-helix	trans	-63.9	-33.3	176.7	-164.9	-177.6	176.3	0	0	111.7	D80 K86	D80-E82 PolarHBondContact O-N 3.33Å; D80-E82 WeakPolarHBondContact OD1-CB 3.19Å; D80-E82 PolarHBondContact OD1-N 3.08Å; E82-K86 VanDerWaalsContact O-CB 3.24Å; E82-K86 WeakPolarHBondContact O-CB 3.2Å; E82-K86 PolarHBondContact O-N 3.48Å; E82-K86 VanDerWaalsContact O-N 3.15Å
83	Y	72.9	Confident	61.3	Low	27 Å²	27	106 Å²	106	11%	0.106	53%	0.533	C	S	.	.	H	α-helix	trans	-67.3	-45.3	175.4	175.5	-91.6	0	0	0	112.2	D80 P81 M87 H304 T333	D80-Y83 WeakPolarHBondContact O-CB 3.36Å; D80-Y83 PolarHBondContact O-N 2.96Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.09Å; Y83-M87 HydrophobicContact CD1-CG 4.31Å; Y83-M87 HydrophobicContact CE1-CG 3.9Å; Y83-M87 HydrophobicContact CE2-CG 4.29Å; Y83-M87 WeakPolarHBondContact O-CB 3.11Å; Y83-M87 VanDerWaalsContact O-CG 3.28Å; Y83-M87 WeakPolarHBondContact O-CG 3.37Å; Y83-M87 PolarHBondContact O-N 2.89Å; Y83-H304 HydrophobicContact CD2-CB 4.16Å; Y83-H304 AromaticContact CE1-CD2 3.98Å; Y83-H304 HydrophobicContact CE2-CB 4.24Å; Y83-T333 HydrophobicContact CD2-CG2 3.59Å; Y83-T333 HydrophobicContact CE2-CG2 3.33Å
84	E	73.9	Confident	63.3	Low	82 Å²	82	100.7 Å²	100.7	38%	0.383	50%	0.496	S	S	.	.	H	α-helix	trans	-67.8	-43.6	-179.8	-74.2	-152.5	150	0	0	112.6	M79 D80 P81 K86 M87 K88	M79-E84 HydrophobicContact CE-CG 4.36Å; M79-E84 WeakPolarHBondContact CE-OE1 3.22Å; D80-E84 PolarHBondContact O-N 2.76Å; P81-E84 PolarHBondContact O-N 3.25Å; E84-K86 VanDerWaalsContact C-N 3.32Å; E84-K86 PolarHBondContact O-N 2.66Å; E84-M87 PolarHBondContact O-N 2.95Å; E84-K88 WeakPolarHBondContact O-CG 3.48Å; E84-K88 PolarHBondContact O-N 3.47Å
85	E	76.1	Confident	65.3	Low	145 Å²	145	95.6 Å²	95.6	68%	0.678	47%	0.474	S	S	*	.	H	α-helix	trans	-61.1	-45.6	179.2	-171	175.3	-179.3	0	0	110.6	P81 M87 K88 A89	P81-E85 PolarHBondContact O-N 3.44Å; P81-E85 VanDerWaalsContact O-N 3.07Å; E85-M87 PolarHBondContact O-N 3.49Å; E85-K88 PolarHBondContact O-N 3.36Å; E85-A89 PolarHBondContact O-N 3.39Å
86	K	74.6	Confident	67.4	Low	44 Å²	44	95.7 Å²	95.7	19%	0.191	46%	0.463	C	S	.	.	H	α-helix	trans	-61.3	-44	175	-174.7	173.3	-175.4	169.8	0	112.5	E82 E84 K88 A89 D90 Y198	E82-K86 VanDerWaalsContact O-CB 3.24Å; E82-K86 WeakPolarHBondContact O-CB 3.2Å; E82-K86 PolarHBondContact O-N 3.48Å; E82-K86 VanDerWaalsContact O-N 3.15Å; E84-K86 VanDerWaalsContact C-N 3.32Å; E84-K86 PolarHBondContact O-N 2.66Å; K86-K88 VanDerWaalsContact C-N 3.29Å; K86-K88 PolarHBondContact O-N 2.71Å; K86-A89 PolarHBondContact O-N 3.47Å; K86-D90 VanDerWaalsContact O-CB 3.32Å; K86-D90 WeakPolarHBondContact O-CB 2.97Å; K86-D90 PolarHBondContact O-N 2.8Å; K86-Y198 PolarHBondContact NZ-OH 2.85Å
87	M	75.3	Confident	69.3	Low	50 Å²	50	88.1 Å²	88.1	25%	0.246	43%	0.427	C	S	.	.	H	α-helix	trans	-60.8	-37.8	178.2	-78.9	-66.8	-66.1	0	0	112.5	Y83 E84 E85 R91 T333	Y83-M87 HydrophobicContact CD1-CG 4.31Å; Y83-M87 HydrophobicContact CE1-CG 3.9Å; Y83-M87 HydrophobicContact CE2-CG 4.29Å; Y83-M87 WeakPolarHBondContact O-CB 3.11Å; Y83-M87 VanDerWaalsContact O-CG 3.28Å; Y83-M87 WeakPolarHBondContact O-CG 3.37Å; Y83-M87 PolarHBondContact O-N 2.89Å; E84-M87 PolarHBondContact O-N 2.95Å; E85-M87 PolarHBondContact O-N 3.49Å; M87-R91 WeakPolarHBondContact O-CB 3.41Å; M87-R91 PolarHBondContact O-N 3.27Å; M87-T333 HydrophobicContact SD-CG2 4.25Å
88	K	75.5	Confident	70.8	Confident	148 Å²	148	79 Å²	79	64%	0.643	39%	0.388	S	S	*	.	H	α-helix	trans	-67.1	-46.7	175.1	-71.8	174	-174.9	166.8	0	111.5	E84 E85 K86 R91 A92	E84-K88 WeakPolarHBondContact O-CG 3.48Å; E84-K88 PolarHBondContact O-N 3.47Å; E85-K88 PolarHBondContact O-N 3.36Å; K86-K88 VanDerWaalsContact C-N 3.29Å; K86-K88 PolarHBondContact O-N 2.71Å; K88-R91 PolarHBondContact O-N 3.28Å; K88-A92 PolarHBondContact O-N 3.44Å
89	A	77.2	Confident	72.1	Confident	49 Å²	49	73.3 Å²	73.3	41%	0.405	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-45.7	177.7	0	0	0	0	0	112	E85 K86 R91 A92 K93	E85-A89 PolarHBondContact O-N 3.39Å; K86-A89 PolarHBondContact O-N 3.47Å; A89-R91 VanDerWaalsContact C-N 3.31Å; A89-R91 PolarHBondContact O-N 3.3Å; A89-A92 PolarHBondContact O-N 3.25Å; A89-K93 PolarHBondContact O-N 3.15Å
90	D	78.7	Confident	73.3	Confident	10 Å²	10	75.9 Å²	75.9	5%	0.053	37%	0.371	C	S	.	.	H	α-helix	trans	-64.1	-36.5	178	-75.6	-5.4	0	0	0	111.1	K86 R94	K86-D90 VanDerWaalsContact O-CB 3.32Å; K86-D90 WeakPolarHBondContact O-CB 2.97Å; K86-D90 PolarHBondContact O-N 2.8Å; D90-R94 WeakPolarHBondContact O-CB 3.43Å; D90-R94 PolarHBondContact O-N 2.96Å
91	R	74.2	Confident	73.6	Confident	137 Å²	137	77.7 Å²	77.7	52%	0.517	38%	0.378	S	S	.	.	H	α-helix	trans	-63.6	-41.6	176.6	-170.5	-175.8	-106	-167.6	-0.4	112	M87 K88 A89 F95 D360	M87-R91 WeakPolarHBondContact O-CB 3.41Å; M87-R91 PolarHBondContact O-N 3.27Å; K88-R91 PolarHBondContact O-N 3.28Å; A89-R91 VanDerWaalsContact C-N 3.31Å; A89-R91 PolarHBondContact O-N 3.3Å; R91-F95 WeakPolarHBondContact O-CB 3.29Å; R91-F95 PolarHBondContact O-N 3.1Å; R91-D360 IonicContact CZ-OD1 3.72Å; R91-D360 IonicContact CZ-OD2 2.63Å; R91-D360 IonicContact NE-OD2 3.16Å; R91-D360 PolarHBondContact NE-OD2 3.35Å; R91-D360 IonicContact NH2-OD1 3.15Å; R91-D360 PolarHBondContact NH2-OD1 2.99Å; R91-D360 IonicContact NH2-OD2 2.98Å; R91-D360 PolarHBondContact NH2-OD2 3.28Å
92	A	73.5	Confident	73.4	Confident	64 Å²	64	74.3 Å²	74.3	53%	0.529	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-48.7	177.5	0	0	0	0	0	111.9	K88 A89 R94 F95 E96	K88-A92 PolarHBondContact O-N 3.44Å; A89-A92 PolarHBondContact O-N 3.25Å; A92-R94 PolarHBondContact O-N 3.39Å; A92-F95 WeakPolarHBondContact O-CB 3.37Å; A92-F95 PolarHBondContact O-N 3.29Å; A92-E96 PolarHBondContact O-N 2.72Å
93	K	77.7	Confident	73.1	Confident	74 Å²	74	76.8 Å²	76.8	32%	0.322	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-44.2	176.4	-73.9	-177.1	177.8	-179.3	0	112.3	A89 F95 E96 F97 E199 N200	A89-K93 PolarHBondContact O-N 3.15Å; K93-F95 VanDerWaalsContact C-N 3.35Å; K93-F95 PolarHBondContact O-N 3.46Å; K93-E96 PolarHBondContact O-N 3.43Å; K93-F97 WeakPolarHBondContact O-CB 3.24Å; K93-F97 PolarHBondContact O-N 3.39Å; K93-E199 WeakPolarHBondContact CD-O 3.5Å; K93-N200 CarbonylContact C-O 3.52Å
94	R	77.5	Confident	72.5	Confident	17 Å²	17	78 Å²	78	6%	0.064	38%	0.375	C	S	.	.	H	α-helix	trans	-57.4	-50.7	175.8	-177.7	-169.3	-57.9	134.1	8	109.7	D90 A92 E96 F97 L98 N200 G201 V202 L358 D360	D90-R94 WeakPolarHBondContact O-CB 3.43Å; D90-R94 PolarHBondContact O-N 2.96Å; A92-R94 PolarHBondContact O-N 3.39Å; R94-E96 VanDerWaalsContact C-N 3.34Å; R94-E96 PolarHBondContact O-N 3.45Å; R94-F97 PolarHBondContact O-N 2.85Å; R94-L98 HydrophobicContact CG-CD1 4.06Å; R94-L98 HydrophobicContact CG-CG 4.22Å; R94-L98 WeakPolarHBondContact O-CB 3.36Å; R94-L98 WeakPolarHBondContact O-CG 3.47Å; R94-L98 PolarHBondContact O-N 3.28Å; R94-N200 VanDerWaalsContact CA-O 3.28Å; R94-N200 WeakPolarHBondContact CA-O 3.25Å; R94-N200 PolarHBondContact N-O 3.32Å; R94-N200 VanDerWaalsContact N-O 3.13Å; R94-G201 PolarHBondContact NE-O 2.78Å; R94-G201 PolarHBondContact NH2-O 2.94Å; R94-V202 HydrophobicContact CB-CG2 4.33Å; R94-V202 HydrophobicContact CG-CG2 3.95Å; R94-L358 HydrophobicContact CG-CD2 4.35Å; R94-D360 IonicContact NH1-OD2 2.81Å; R94-D360 PolarHBondContact NH1-OD2 2.99Å
95	F	70.8	Confident	72	Confident	96 Å²	96	74 Å²	74	42%	0.421	36%	0.357	S	S	.	.	H	α-helix	trans	-56.8	-46.1	-179.9	-176.7	-101.6	0	0	0	112.4	R91 A92 K93 L98 L99 I109	R91-F95 WeakPolarHBondContact O-CB 3.29Å; R91-F95 PolarHBondContact O-N 3.1Å; A92-F95 WeakPolarHBondContact O-CB 3.37Å; A92-F95 PolarHBondContact O-N 3.29Å; K93-F95 VanDerWaalsContact C-N 3.35Å; K93-F95 PolarHBondContact O-N 3.46Å; F95-L98 PolarHBondContact O-N 2.91Å; F95-L99 HydrophobicContact CD1-CD1 3.64Å; F95-L99 HydrophobicContact CD2-CD1 4.5Å; F95-L99 HydrophobicContact CE1-CD1 3.22Å; F95-L99 HydrophobicContact CE2-CD1 4.13Å; F95-L99 HydrophobicContact CG-CD1 4.28Å; F95-L99 HydrophobicContact CZ-CD1 3.5Å; F95-L99 PolarHBondContact O-N 3.35Å; F95-L99 VanDerWaalsContact O-N 3.08Å; F95-I109 HydrophobicContact CD2-CD1 3.92Å; F95-I109 HydrophobicContact CD2-CG2 4.24Å; F95-I109 HydrophobicContact CE2-CB 4.21Å; F95-I109 HydrophobicContact CE2-CD1 3.73Å; F95-I109 HydrophobicContact CE2-CG1 4.49Å; F95-I109 HydrophobicContact CE2-CG2 3.56Å
96	E	74.7	Confident	71.3	Confident	107 Å²	107	68.6 Å²	68.6	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-62.5	-44.6	176.2	-167	-167.5	153.3	0	0	112.1	A92 K93 R94 L98 L99 K100	A92-E96 PolarHBondContact O-N 2.72Å; K93-E96 PolarHBondContact O-N 3.43Å; R94-E96 VanDerWaalsContact C-N 3.34Å; R94-E96 PolarHBondContact O-N 3.45Å; E96-L98 PolarHBondContact O-N 3.31Å; E96-L99 PolarHBondContact O-N 3.27Å; E96-K100 WeakPolarHBondContact O-CG 3.37Å; E96-K100 PolarHBondContact O-N 2.88Å; E96-K100 VanDerWaalsContact O-N 3.13Å; E96-K100 WeakPolarHBondContact OE1-CE 3.4Å; E96-K100 IonicContact OE1-NZ 2.83Å; E96-K100 PolarHBondContact OE1-NZ 3.22Å
97	F	74.8	Confident	70.6	Confident	30 Å²	30	70.3 Å²	70.3	13%	0.132	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-42.8	177.3	-178.2	-93.6	0	0	0	111.9	K93 R94 K100 Q101 N200 V202	K93-F97 WeakPolarHBondContact O-CB 3.24Å; K93-F97 PolarHBondContact O-N 3.39Å; R94-F97 PolarHBondContact O-N 2.85Å; F97-K100 PolarHBondContact O-N 3.42Å; F97-Q101 HydrophobicContact CD1-CG 4.1Å; F97-Q101 HydrophobicContact CE1-CG 3.72Å; F97-Q101 HydrophobicContact CE2-CG 4.4Å; F97-Q101 HydrophobicContact CZ-CG 3.89Å; F97-Q101 WeakPolarHBondContact O-CG 3.31Å; F97-Q101 PolarHBondContact O-N 3.45Å; F97-Q101 VanDerWaalsContact O-N 3.14Å; F97-N200 HydrophobicContact CB-CB 4.17Å; F97-N200 HydrophobicContact CD2-CB 4.03Å; F97-N200 HydrophobicContact CG-CB 4.01Å; F97-V202 HydrophobicContact CB-CG2 4.39Å; F97-V202 HydrophobicContact CD1-CG2 3.59Å; F97-V202 HydrophobicContact CE1-CG2 4.15Å; F97-V202 HydrophobicContact CG-CG2 4.17Å
98	L	72	Confident	69.8	Low	4 Å²	4	69.1 Å²	69.1	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-62.4	-45.6	178.7	-69.2	-175	0	0	0	112.3	R94 F95 E96 K100 Q101 T102 F105 L358 F394	R94-L98 HydrophobicContact CG-CD1 4.06Å; R94-L98 HydrophobicContact CG-CG 4.22Å; R94-L98 WeakPolarHBondContact O-CB 3.36Å; R94-L98 WeakPolarHBondContact O-CG 3.47Å; R94-L98 PolarHBondContact O-N 3.28Å; F95-L98 PolarHBondContact O-N 2.91Å; E96-L98 PolarHBondContact O-N 3.31Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.11Å; L98-Q101 PolarHBondContact O-N 3.05Å; L98-T102 PolarHBondContact O-N 3.24Å; L98-F105 HydrophobicContact CB-CB 4.49Å; L98-F105 HydrophobicContact CB-CD1 4.34Å; L98-F105 HydrophobicContact CB-CD2 4.29Å; L98-F105 HydrophobicContact CB-CG 4.13Å; L98-F105 HydrophobicContact CD1-CD1 4.28Å; L98-F105 HydrophobicContact CD1-CE1 4.28Å; L98-F105 HydrophobicContact CD2-CE1 4.05Å; L98-F105 HydrophobicContact CD2-CE2 4.16Å; L98-F105 HydrophobicContact CD2-CZ 3.88Å; L98-F105 WeakPolarHBondContact O-CD2 3.39Å; L98-L358 HydrophobicContact CD1-CD1 4.22Å; L98-L358 HydrophobicContact CD1-CD2 4.09Å; L98-F394 HydrophobicContact CD2-CE1 3.36Å; L98-F394 HydrophobicContact CD2-CE2 4.47Å; L98-F394 HydrophobicContact CD2-CZ 3.18Å
99	L	69.8	Low	69	Low	72 Å²	72	63 Å²	63	38%	0.377	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-38.3	176.9	-85.8	158.1	0	0	0	112.4	F95 E96 A106	F95-L99 HydrophobicContact CD1-CD1 3.64Å; F95-L99 HydrophobicContact CD2-CD1 4.5Å; F95-L99 HydrophobicContact CE1-CD1 3.22Å; F95-L99 HydrophobicContact CE2-CD1 4.13Å; F95-L99 HydrophobicContact CG-CD1 4.28Å; F95-L99 HydrophobicContact CZ-CD1 3.5Å; F95-L99 PolarHBondContact O-N 3.35Å; F95-L99 VanDerWaalsContact O-N 3.08Å; E96-L99 PolarHBondContact O-N 3.27Å; L99-A106 HydrophobicContact CD2-CB 4.05Å
100	K	71.1	Confident	67.8	Low	154 Å²	154	67.3 Å²	67.3	67%	0.67	32%	0.324	S	S	*	.	H	α-helix	trans	-68.5	-32.2	177.1	-78.3	174.3	172.3	168	0	113.4	E96 F97 L98	E96-K100 WeakPolarHBondContact O-CG 3.37Å; E96-K100 PolarHBondContact O-N 2.88Å; E96-K100 VanDerWaalsContact O-N 3.13Å; E96-K100 WeakPolarHBondContact OE1-CE 3.4Å; E96-K100 IonicContact OE1-NZ 2.83Å; E96-K100 PolarHBondContact OE1-NZ 3.22Å; F97-K100 PolarHBondContact O-N 3.42Å; L98-K100 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 3.11Å
101	Q	68	Low	66.2	Low	94 Å²	94	70 Å²	70	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-80.5	-34.8	-175.6	-71.6	-67.5	-23.3	0	0	113.2	F97 L98 P393	F97-Q101 HydrophobicContact CD1-CG 4.1Å; F97-Q101 HydrophobicContact CE1-CG 3.72Å; F97-Q101 HydrophobicContact CE2-CG 4.4Å; F97-Q101 HydrophobicContact CZ-CG 3.89Å; F97-Q101 WeakPolarHBondContact O-CG 3.31Å; F97-Q101 PolarHBondContact O-N 3.45Å; F97-Q101 VanDerWaalsContact O-N 3.14Å; L98-Q101 PolarHBondContact O-N 3.05Å; Q101-P393 HydrophobicContact CB-CB 4.2Å; Q101-P393 HydrophobicContact CB-CG 3.9Å; Q101-P393 HydrophobicContact CG-CB 4.11Å; Q101-P393 HydrophobicContact CG-CG 4.34Å
102	T	64.1	Low	64.8	Low	29 Å²	29	65.9 Å²	65.9	18%	0.178	34%	0.335	C	S	.	.			trans	-157	124.1	-178.9	2.7	0	0	0	0	112	L98 L104 F105	L98-T102 PolarHBondContact O-N 3.24Å; T102-L104 HydrophobicContact CG2-CB 4.37Å; T102-L104 HydrophobicContact CG2-CD1 4.03Å; T102-L104 PolarHBondContact O-N 2.88Å; T102-F105 PolarHBondContact O-N 2.97Å; T102-F105 WeakPolarHBondContact OG1-CD2 3.39Å; T102-F105 WeakPolarHBondContact OG1-CE2 3.34Å
103	E	63.3	Low	63.4	Low	180 Å²	180	67 Å²	67	84%	0.841	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.6	170.8	-64.6	-176.6	175.4	0	0	112.3	F105 A106	E103-F105 PolarHBondContact O-N 3.27Å; E103-A106 WeakPolarHBondContact O-CB 3.45Å; E103-A106 PolarHBondContact O-N 3.38Å; E103-A106 VanDerWaalsContact O-N 3.08Å
104	L	60.9	Low	61.6	Low	51 Å²	51	71.3 Å²	71.3	27%	0.267	37%	0.365	S	S	.	.	H	α-helix	trans	-55.2	-32.2	174.5	-72.5	162.4	0	0	0	112.9	T102 A106 H107 F108 R386 A389 V390	T102-L104 HydrophobicContact CG2-CB 4.37Å; T102-L104 HydrophobicContact CG2-CD1 4.03Å; T102-L104 PolarHBondContact O-N 2.88Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 3.45Å; L104-H107 PolarHBondContact O-N 3.41Å; L104-F108 VanDerWaalsContact O-CD2 3.23Å; L104-F108 WeakPolarHBondContact O-CD2 3.4Å; L104-R386 HydrophobicContact CD2-CG 4.07Å; L104-A389 HydrophobicContact CD1-CB 3.88Å; L104-V390 HydrophobicContact CB-CG2 4.18Å
105	F	62.4	Low	59.6	Low	0 Å²	0	78.7 Å²	78.7	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-66.3	-32.9	178.1	-81.8	-76.2	0	0	0	112.8	L98 T102 E103 H107 F108 I109 L358 V390 F394	L98-F105 HydrophobicContact CB-CB 4.49Å; L98-F105 HydrophobicContact CB-CD1 4.34Å; L98-F105 HydrophobicContact CB-CD2 4.29Å; L98-F105 HydrophobicContact CB-CG 4.13Å; L98-F105 HydrophobicContact CD1-CD1 4.28Å; L98-F105 HydrophobicContact CD1-CE1 4.28Å; L98-F105 HydrophobicContact CD2-CE1 4.05Å; L98-F105 HydrophobicContact CD2-CE2 4.16Å; L98-F105 HydrophobicContact CD2-CZ 3.88Å; L98-F105 WeakPolarHBondContact O-CD2 3.39Å; T102-F105 PolarHBondContact O-N 2.97Å; T102-F105 WeakPolarHBondContact OG1-CD2 3.39Å; T102-F105 WeakPolarHBondContact OG1-CE2 3.34Å; E103-F105 PolarHBondContact O-N 3.27Å; F105-H107 PolarHBondContact O-N 3.1Å; F105-F108 PolarHBondContact O-N 3.3Å; F105-I109 HydrophobicContact CB-CD1 4.1Å; F105-I109 WeakPolarHBondContact O-CD1 3.2Å; F105-I109 VanDerWaalsContact O-CG1 3.27Å; F105-I109 WeakPolarHBondContact O-CG1 3.46Å; F105-I109 PolarHBondContact O-N 2.98Å; F105-L358 HydrophobicContact CE1-CD1 4.02Å; F105-V390 HydrophobicContact CD1-CG1 4.38Å; F105-V390 HydrophobicContact CE1-CG1 3.51Å; F105-V390 HydrophobicContact CE2-CG1 4.22Å; F105-V390 HydrophobicContact CZ-CB 4.14Å; F105-V390 HydrophobicContact CZ-CG1 3.39Å; F105-V390 HydrophobicContact CZ-CG2 4.49Å; F105-V390 WeakPolarHBondContact CZ-O 3.26Å; F105-F394 HydrophobicContact CE1-CE2 4.32Å; F105-F394 HydrophobicContact CE1-CZ 4.13Å; F105-F394 HydrophobicContact CE2-CZ 4.3Å; F105-F394 AromaticContact CZ-CE2 3.63Å; F105-F394 HydrophobicContact CZ-CE2 3.63Å; F105-F394 AromaticContact CZ-CZ 3.49Å; F105-F394 HydrophobicContact CZ-CZ 3.49Å; F105-F394 VanDerWaalsContact CZ-CZ 3.49Å
106	A	61	Low	57.7	Low	30 Å²	30	79 Å²	79	25%	0.248	41%	0.412	C	S	.	.	H	α-helix	trans	-58.5	-38.3	178.4	0	0	0	0	0	111.1	L99 E103 L104 F108 I109 Q110	L99-A106 HydrophobicContact CD2-CB 4.05Å; E103-A106 WeakPolarHBondContact O-CB 3.45Å; E103-A106 PolarHBondContact O-N 3.38Å; E103-A106 VanDerWaalsContact O-N 3.08Å; L104-A106 VanDerWaalsContact C-N 3.32Å; L104-A106 PolarHBondContact O-N 3.45Å; A106-F108 PolarHBondContact O-N 3.32Å; A106-I109 PolarHBondContact O-N 3.19Å; A106-Q110 WeakPolarHBondContact O-CG 3.34Å; A106-Q110 PolarHBondContact O-N 2.76Å
107	H	59.5	Low	55.6	Low	81 Å²	81	79.5 Å²	79.5	38%	0.375	42%	0.424	S	S	.	.	H	α-helix	trans	-66.4	-33.4	177.2	-173.1	-63.4	0	0	0	112.8	L104 F105 P111 W371 K375	L104-H107 PolarHBondContact O-N 3.41Å; F105-H107 PolarHBondContact O-N 3.1Å; H107-P111 WeakPolarHBondContact O-CD 3.44Å; H107-W371 AromaticContact CE1-CE2 3.92Å; H107-W371 AromaticContact CE1-CZ2 3.51Å; H107-W371 AromaticContact CE1-NE1 3.71Å; H107-W371 AromaticContact ND1-CZ2 3.75Å; H107-K375 PolarHBondContact NE2-NZ 2.84Å
108	F	59.3	Low	53.4	Low	24 Å²	24	85 Å²	85	11%	0.105	46%	0.46	C	S	.	.	H	α-helix	trans	-82.1	-27.9	179.7	-71	-72.4	0	0	0	113.2	L104 F105 A106 F362 W371 L387 V390	L104-F108 VanDerWaalsContact O-CD2 3.23Å; L104-F108 WeakPolarHBondContact O-CD2 3.4Å; F105-F108 PolarHBondContact O-N 3.3Å; A106-F108 PolarHBondContact O-N 3.32Å; F108-F362 HydrophobicContact CD1-CE1 4.35Å; F108-F362 HydrophobicContact CG-CZ 4.5Å; F108-W371 HydrophobicContact CD1-CZ2 4.42Å; F108-W371 HydrophobicContact CE1-CE3 4.46Å; F108-W371 AromaticContact CE1-CH2 3.47Å; F108-W371 HydrophobicContact CE1-CH2 3.47Å; F108-W371 VanDerWaalsContact CE1-CH2 3.47Å; F108-W371 AromaticContact CE1-CZ2 3.75Å; F108-W371 HydrophobicContact CE1-CZ2 3.75Å; F108-W371 AromaticContact CE1-CZ3 3.86Å; F108-W371 HydrophobicContact CE1-CZ3 3.86Å; F108-W371 AromaticContact CZ-CH2 3.72Å; F108-W371 HydrophobicContact CZ-CH2 3.72Å; F108-W371 HydrophobicContact CZ-CZ2 4.24Å; F108-W371 HydrophobicContact CZ-CZ3 4.3Å; F108-L387 HydrophobicContact CZ-CD2 4.41Å; F108-V390 HydrophobicContact CD2-CG2 4.35Å; F108-V390 HydrophobicContact CE2-CG2 3.95Å
109	I	57.9	Low	51.2	Low	21 Å²	21	89.2 Å²	89.2	11%	0.108	49%	0.49	C	S	.	.	H	α-helix	trans	-91.1	-29	-173.4	-53	160.3	0	0	0	112.8	F95 F105 A106 S112 A113 V361	F95-I109 HydrophobicContact CD2-CD1 3.92Å; F95-I109 HydrophobicContact CD2-CG2 4.24Å; F95-I109 HydrophobicContact CE2-CB 4.21Å; F95-I109 HydrophobicContact CE2-CD1 3.73Å; F95-I109 HydrophobicContact CE2-CG1 4.49Å; F95-I109 HydrophobicContact CE2-CG2 3.56Å; F105-I109 HydrophobicContact CB-CD1 4.1Å; F105-I109 WeakPolarHBondContact O-CD1 3.2Å; F105-I109 VanDerWaalsContact O-CG1 3.27Å; F105-I109 WeakPolarHBondContact O-CG1 3.46Å; F105-I109 PolarHBondContact O-N 2.98Å; A106-I109 PolarHBondContact O-N 3.19Å; I109-S112 PolarHBondContact O-N 3.38Å; I109-S112 PolarHBondContact O-OG 3.5Å; I109-S112 VanDerWaalsContact O-OG 3.13Å; I109-A113 PolarHBondContact O-N 3.03Å; I109-V361 HydrophobicContact CG1-CG1 4.36Å
110	Q	52.3	Low	49.6	Very low	138 Å²	138	92 Å²	92	65%	0.645	51%	0.513	S	S	*	.	H	α-helix	trans	-53.7	-41.4	179.5	-82.1	177	4.5	0	0	114.4	A106	A106-Q110 WeakPolarHBondContact O-CG 3.34Å; A106-Q110 PolarHBondContact O-N 2.76Å
111	P	46.1	Very low	47.3	Very low	67 Å²	67	92.2 Å²	92.2	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-77.6	-36.8	-179.7	-15.9	31.6	0	0	0	113.9	H107 A113 Q114	H107-P111 WeakPolarHBondContact O-CD 3.44Å; P111-A113 VanDerWaalsContact C-N 3.31Å; P111-A113 PolarHBondContact O-N 3.43Å; P111-Q114 PolarHBondContact O-N 3.06Å; P111-Q114 VanDerWaalsContact O-N 3.14Å
112	S	43.9	Very low	45.2	Very low	50 Å²	50	95.1 Å²	95.1	35%	0.35	54%	0.539	S	S	.	.	H	α-helix	trans	-70.2	-28	-175.7	51.6	0	0	0	0	112.6	I109 Q114	I109-S112 PolarHBondContact O-N 3.38Å; I109-S112 PolarHBondContact O-OG 3.5Å; I109-S112 VanDerWaalsContact O-OG 3.13Å; S112-Q114 PolarHBondContact O-N 2.89Å
113	A	44.5	Very low	43.2	Very low	87 Å²	87	101.6 Å²	101.6	72%	0.719	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-20.1	172.9	0	0	0	0	0	113.9	I109 P111	I109-A113 PolarHBondContact O-N 3.03Å; P111-A113 VanDerWaalsContact C-N 3.31Å; P111-A113 PolarHBondContact O-N 3.43Å
114	Q	41	Very low	41.2	Very low	166 Å²	166	103.6 Å²	103.6	78%	0.776	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-20.2	-175.9	-68	-175	-6.1	0	0	114	P111 S112	P111-Q114 PolarHBondContact O-N 3.06Å; P111-Q114 VanDerWaalsContact O-N 3.14Å; S112-Q114 PolarHBondContact O-N 2.89Å
115	K	34.3	Very low	39.6	Very low	172 Å²	172	108 Å²	108	75%	0.748	60%	0.598	S	S	*	*			trans	-106.1	102.9	-176.2	-70.7	-175.5	176.7	-178.6	0	111.3
116	S	30.7	Very low	37.8	Very low	102 Å²	102	111.3 Å²	111.3	71%	0.713	63%	0.633	S	S	*	*			trans	-66.5	141.3	164.7	50.2	0	0	0	0	110.3	T118	S116-T118 PolarHBondContact O-N 3.19Å
117	P	31.5	Very low	36	Very low	117 Å²	117	121.1 Å²	121.1	76%	0.76	66%	0.663	S	S	*	*			trans	-70.7	121.1	-167	1.5	11.1	0	0	0	111.8	S119	P117-S119 PolarHBondContact O-N 3.49Å
118	T	28	Very low	34.6	Very low	145 Å²	145	122.2 Å²	122.2	89%	0.89	68%	0.677	S	S	*	*			trans	-82.4	90	173.3	34.4	0	0	0	0	110.9	S116	S116-T118 PolarHBondContact O-N 3.19Å
119	S	25.7	Very low	33	Very low	94 Å²	94	133 Å²	133	66%	0.657	72%	0.717	S	S	*	*			trans	-162.1	114.5	157	52.8	0	0	0	0	110.2	P117 L121	P117-S119 PolarHBondContact O-N 3.49Å; S119-L121 PolarHBondContact O-N 2.94Å; S119-L121 VanDerWaalsContact O-N 3.12Å
120	P	35.9	Very low	31.7	Very low	130 Å²	130	138.5 Å²	138.5	84%	0.844	75%	0.745	S	S	*	*			trans	-87.2	81.1	-171.7	33.9	-32.3	0	0	0	111.1
121	L	23.6	Very low	30.5	Very low	158 Å²	158	140.2 Å²	140.2	83%	0.827	75%	0.751	S	S	*	*	S	Bend	trans	-141.6	100.3	163.5	-81.8	172.8	0	0	0	110.2	S119	S119-L121 PolarHBondContact O-N 2.94Å; S119-L121 VanDerWaalsContact O-N 3.12Å
122	N	22.7	Very low	29.9	Very low	156 Å²	156	146.3 Å²	146.3	83%	0.834	77%	0.77	S	S	*	*			trans	44.6	78.9	155.5	-66.4	-16.9	0	0	0	118.5
123	M	23.1	Very low	29.5	Very low	165 Å²	165	149.6 Å²	149.6	81%	0.813	78%	0.784	S	S	*	*			trans	-140.8	112	139.8	-74.5	-164.9	76.1	0	0	109.1	L125	M123-L125 VanDerWaalsContact C-N 3.25Å; M123-L125 HydrophobicContact CB-CD1 4.31Å; M123-L125 PolarHBondContact O-N 3.18Å
124	K	22.1	Very low	29	Very low	221 Å²	221	152.1 Å²	152.1	96%	0.961	78%	0.781	S	S	*	*			trans	-62.9	87.8	166.3	-84.1	179.3	173.2	176.2	0	108.3	G126	K124-G126 PolarHBondContact O-N 3.29Å
125	L	26.4	Very low	28.6	Very low	144 Å²	144	152.6 Å²	152.6	75%	0.754	78%	0.781	S	S	*	*			trans	-82.7	98.9	166.5	-117.3	76.9	0	0	0	107.9	M123 R127	M123-L125 VanDerWaalsContact C-N 3.25Å; M123-L125 HydrophobicContact CB-CD1 4.31Å; M123-L125 PolarHBondContact O-N 3.18Å; L125-R127 PolarHBondContact O-N 3.27Å
126	G	24.3	Very low	28.7	Very low	70 Å²	70	151.1 Å²	151.1	72%	0.722	78%	0.777	S	S	*	*			trans	-59.2	104.1	164.6	0	0	0	0	0	108.6	K124 P128	K124-G126 PolarHBondContact O-N 3.29Å; G126-P128 WeakPolarHBondContact O-CD 3.34Å
127	R	24.5	Very low	29	Very low	236 Å²	236	150.1 Å²	150.1	89%	0.891	77%	0.769	S	S	*	*			trans	-71.9	108.3	177.6	-158.7	179.4	-164.3	177.7	5.3	107.7	L125 R129	L125-R127 PolarHBondContact O-N 3.27Å; R127-R129 PolarHBondContact O-N 2.64Å
128	P	29.2	Very low	29.4	Very low	104 Å²	104	151.5 Å²	151.5	68%	0.675	77%	0.769	S	S	*	*			trans	-69.3	131.6	166.7	-5.4	24.5	0	0	0	106.4	G126 I130	G126-P128 WeakPolarHBondContact O-CD 3.34Å; P128-I130 VanDerWaalsContact C-N 3.32Å; P128-I130 PolarHBondContact O-N 2.98Å
129	R	25.9	Very low	29.8	Very low	249 Å²	249	151.6 Å²	151.6	94%	0.94	76%	0.763	S	S	*	*			trans	-60.2	93.2	174.9	-74.8	175.3	169	164.7	-4.3	109	R127 K131	R127-R129 PolarHBondContact O-N 2.64Å; R129-K131 PolarHBondContact O-N 2.76Å
130	I	29.6	Very low	30.2	Very low	137 Å²	137	150.9 Å²	150.9	70%	0.703	76%	0.758	S	S	*	*			trans	-70.2	113.1	168	-64.6	169.4	0	0	0	106.2	P128	P128-I130 VanDerWaalsContact C-N 3.32Å; P128-I130 PolarHBondContact O-N 2.98Å
131	K	28.4	Very low	30.3	Very low	175 Å²	175	148.9 Å²	148.9	76%	0.761	75%	0.752	S	S	*	*			trans	-56.7	139.1	174.1	-79.7	179.4	173.3	-180	0	108.9	R129 D133	R129-K131 PolarHBondContact O-N 2.76Å; K131-D133 PolarHBondContact O-N 3.09Å
132	K	33.2	Very low	30.7	Very low	194 Å²	194	144.6 Å²	144.6	84%	0.843	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-8	-170.5	-108.7	176.4	172	-179.3	0	115.1
133	D	35	Very low	31	Very low	120 Å²	120	143.7 Å²	143.7	64%	0.642	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-22	-167.5	-60.2	-35.2	0	0	0	114.4	K131 K135 Q136	K131-D133 PolarHBondContact O-N 3.09Å; D133-K135 VanDerWaalsContact C-N 3.33Å; D133-K135 PolarHBondContact O-N 3.09Å; D133-Q136 PolarHBondContact O-N 2.9Å
134	E	34.6	Very low	31.7	Very low	139 Å²	139	145.1 Å²	145.1	65%	0.65	74%	0.739	S	S	*	*	H	α-helix	trans	-75.8	-17.7	179.2	-74.2	-171.6	153.7	0	0	114.1	Q136 S137	E134-Q136 PolarHBondContact O-N 2.9Å; E134-S137 PolarHBondContact O-OG 3.41Å; E134-S137 VanDerWaalsContact O-OG 3.07Å
135	K	32.6	Very low	32.3	Very low	176 Å²	176	145.2 Å²	145.2	77%	0.765	73%	0.734	S	S	*	*	H	α-helix	trans	-74.2	-18.9	178.6	-155.5	174.9	-177.8	-177.5	0	112.2	D133	D133-K135 VanDerWaalsContact C-N 3.33Å; D133-K135 PolarHBondContact O-N 3.09Å
136	Q	35.1	Very low	32.9	Very low	142 Å²	142	147 Å²	147	66%	0.664	74%	0.737	S	S	*	*	H	α-helix	trans	-89.4	-23.9	-179.2	-124.2	166.2	-9	0	0	113	D133 E134 S140	D133-Q136 PolarHBondContact O-N 2.9Å; E134-Q136 PolarHBondContact O-N 2.9Å; Q136-S140 PolarHBondContact O-OG 3.28Å
137	S	38.4	Very low	33.7	Very low	80 Å²	80	155.6 Å²	155.6	56%	0.559	75%	0.748	S	S	*	*	H	α-helix	trans	-71.4	-32.2	178.8	61.9	0	0	0	0	113.1	E134 I139	E134-S137 PolarHBondContact O-OG 3.41Å; E134-S137 VanDerWaalsContact O-OG 3.07Å; S137-I139 PolarHBondContact O-N 3.3Å
138	L	39.4	Very low	35.2	Very low	146 Å²	146	150.1 Å²	150.1	76%	0.764	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-18.9	-177.7	-79.5	160.9	0	0	0	114.9
139	I	37.3	Very low	36.6	Very low	147 Å²	147	149 Å²	149	75%	0.754	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-15.2	179	-59.8	173.2	0	0	0	111.3	S137 A141	S137-I139 PolarHBondContact O-N 3.3Å; I139-A141 PolarHBondContact O-N 3.15Å
140	S	33.8	Very low	38.7	Very low	80 Å²	80	144.6 Å²	144.6	56%	0.559	71%	0.709	S	S	*	*			trans	-93.7	17.5	-171.4	-48.8	0	0	0	0	114.4	Q136 G142	Q136-S140 PolarHBondContact O-OG 3.28Å; S140-G142 PolarHBondContact O-N 3.07Å
141	A	36.9	Very low	40.5	Very low	87 Å²	87	145.5 Å²	145.5	72%	0.719	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	22.4	-178.7	0	0	0	0	0	114.9	I139	I139-A141 PolarHBondContact O-N 3.15Å
142	G	31.8	Very low	42.4	Very low	68 Å²	68	142.1 Å²	142.1	70%	0.701	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.5	2.2	-173.2	0	0	0	0	0	116.8	S140	S140-G142 PolarHBondContact O-N 3.07Å
143	D	29.8	Very low	43.8	Very low	137 Å²	137	138 Å²	138	73%	0.733	68%	0.681	S	S	*	*			trans	-135.8	93.1	-175.8	-135.5	-14	0	0	0	113.9	R145	D143-R145 PolarHBondContact O-N 2.79Å
144	Y	37	Very low	45.3	Very low	196 Å²	196	136.3 Å²	136.3	77%	0.769	67%	0.672	S	S	*	*			trans	-92.6	56.1	-177.6	-75.5	-89	0	0	0	112.7
145	R	35.2	Very low	47.1	Very low	223 Å²	223	136.5 Å²	136.5	84%	0.842	67%	0.673	S	S	*	*			trans	-138.2	45.7	179.7	-72.7	-170.4	176.9	174.8	0.7	115.6	D143	D143-R145 PolarHBondContact O-N 2.79Å
146	H	39.1	Very low	48.9	Very low	180 Å²	180	131.6 Å²	131.6	83%	0.833	65%	0.653	S	S	*	*			trans	-116	132.2	161.1	-81.5	-70.1	0	0	0	111.7	R148	H146-R148 PolarHBondContact O-N 3.4Å
147	R	41.9	Very low	50.4	Low	252 Å²	252	129.6 Å²	129.6	95%	0.951	65%	0.646	S	S	*	*			trans	-71.5	109	174	-170.9	177.1	-173.9	174.6	1.1	107.5
148	R	55.1	Low	51.8	Low	120 Å²	120	130.9 Å²	130.9	45%	0.453	65%	0.646	S	S	.	*			trans	-68.9	153.8	-174.7	-66.1	178.6	-179.4	179.7	-4.8	111.6	H146 E152 E153 E156	H146-R148 PolarHBondContact O-N 3.4Å; R148-E152 WeakPolarHBondContact CA-OE2 3.36Å; R148-E153 HydrophobicContact CB-CG 4.36Å; R148-E156 IonicContact CZ-OE2 2.65Å; R148-E156 VanDerWaalsContact NH1-CD 3.28Å; R148-E156 IonicContact NH1-OE1 3.4Å; R148-E156 PolarHBondContact NH1-OE1 2.78Å; R148-E156 VanDerWaalsContact NH1-OE1 3.16Å; R148-E156 IonicContact NH1-OE2 2.96Å; R148-E156 PolarHBondContact NH1-OE2 3.48Å
149	T	58.5	Low	52.9	Low	80 Å²	80	125.9 Å²	125.9	49%	0.491	62%	0.624	S	S	.	*			trans	-89.6	152.1	174.7	55.7	0	0	0	0	110.7	Q151 E152 E153	T149-Q151 PolarHBondContact O-N 3.26Å; T149-Q151 VanDerWaalsContact O-N 3.11Å; T149-E152 PolarHBondContact N-OE2 3.04Å; T149-E152 WeakPolarHBondContact O-CB 3.28Å; T149-E152 PolarHBondContact O-N 3.42Å; T149-E152 WeakPolarHBondContact OG1-CG 3.16Å; T149-E152 PolarHBondContact OG1-OE2 3.04Å; T149-E152 VanDerWaalsContact OG1-OE2 3.09Å; T149-E153 PolarHBondContact O-N 3.44Å
150	E	69	Low	53.6	Low	157 Å²	157	124 Å²	124	73%	0.734	61%	0.611	S	S	*	*	H	α-helix	trans	-49.3	-39	-180	-176.5	-172.7	-173.4	0	0	112.4	E152 E153 D154	E150-E152 PolarHBondContact O-N 3.29Å; E150-E153 PolarHBondContact O-N 2.68Å; E150-D154 PolarHBondContact O-N 3Å
151	Q	67.8	Low	54.2	Low	157 Å²	157	123.8 Å²	123.8	73%	0.734	61%	0.61	S	S	*	*	H	α-helix	trans	-68.2	-32.3	-179.5	-151.3	171.3	19.5	0	0	113.2	T149 E155	T149-Q151 PolarHBondContact O-N 3.26Å; T149-Q151 VanDerWaalsContact O-N 3.11Å; Q151-E155 PolarHBondContact O-N 3.38Å; Q151-E155 VanDerWaalsContact O-N 3.07Å
152	E	68.7	Low	54.8	Low	103 Å²	103	129 Å²	129	48%	0.481	61%	0.611	S	S	.	*	H	α-helix	trans	-74.8	-35.9	175.5	-68.8	170	145.3	0	0	111.5	R148 T149 E150 E156	R148-E152 WeakPolarHBondContact CA-OE2 3.36Å; T149-E152 PolarHBondContact N-OE2 3.04Å; T149-E152 WeakPolarHBondContact O-CB 3.28Å; T149-E152 PolarHBondContact O-N 3.42Å; T149-E152 WeakPolarHBondContact OG1-CG 3.16Å; T149-E152 PolarHBondContact OG1-OE2 3.04Å; T149-E152 VanDerWaalsContact OG1-OE2 3.09Å; E150-E152 PolarHBondContact O-N 3.29Å; E152-E156 WeakPolarHBondContact O-CB 3.25Å; E152-E156 PolarHBondContact O-N 3.49Å
153	E	62	Low	55.4	Low	107 Å²	107	132.6 Å²	132.6	50%	0.5	61%	0.608	S	S	.	*	H	α-helix	trans	-66.1	-41.1	173.6	-71.4	-172.9	163.1	0	0	111.2	R148 T149 E150 E156 L157	R148-E153 HydrophobicContact CB-CG 4.36Å; T149-E153 PolarHBondContact O-N 3.44Å; E150-E153 PolarHBondContact O-N 2.68Å; E153-E156 PolarHBondContact O-N 3.32Å; E153-L157 WeakPolarHBondContact O-CB 3.36Å; E153-L157 WeakPolarHBondContact O-CG 3.48Å; E153-L157 PolarHBondContact O-N 3.17Å
154	D	66.6	Low	55.9	Low	86 Å²	86	131.2 Å²	131.2	46%	0.46	60%	0.604	S	S	.	*	H	α-helix	trans	-65.3	-43.4	175.6	-84.8	-10.1	0	0	0	112.5	E150 E156 L157 L158	E150-D154 PolarHBondContact O-N 3Å; D154-E156 VanDerWaalsContact C-N 3.32Å; D154-E156 PolarHBondContact O-N 2.98Å; D154-L157 PolarHBondContact O-N 2.87Å; D154-L158 WeakPolarHBondContact O-CB 3.37Å; D154-L158 VanDerWaalsContact O-CG 3.23Å; D154-L158 WeakPolarHBondContact O-CG 3.26Å; D154-L158 PolarHBondContact O-N 3.47Å
155	E	72.8	Confident	56.2	Low	143 Å²	143	126.2 Å²	126.2	67%	0.668	60%	0.598	S	S	*	*	H	α-helix	trans	-62.9	-38.4	174.3	-95.1	-170.1	157.2	0	0	112.1	Q151 S159	Q151-E155 PolarHBondContact O-N 3.38Å; Q151-E155 VanDerWaalsContact O-N 3.07Å; E155-S159 VanDerWaalsContact O-CB 3.31Å; E155-S159 WeakPolarHBondContact O-CB 3.43Å; E155-S159 PolarHBondContact O-N 3.45Å
156	E	71.2	Confident	56.9	Low	73 Å²	73	120 Å²	120	34%	0.341	58%	0.582	S	S	.	*	H	α-helix	trans	-67.1	-47.6	176.5	-171.2	173.5	-148	0	0	111.3	R148 E152 E153 D154 L158 S159 E160	R148-E156 IonicContact CZ-OE2 2.65Å; R148-E156 VanDerWaalsContact NH1-CD 3.28Å; R148-E156 IonicContact NH1-OE1 3.4Å; R148-E156 PolarHBondContact NH1-OE1 2.78Å; R148-E156 VanDerWaalsContact NH1-OE1 3.16Å; R148-E156 IonicContact NH1-OE2 2.96Å; R148-E156 PolarHBondContact NH1-OE2 3.48Å; E152-E156 WeakPolarHBondContact O-CB 3.25Å; E152-E156 PolarHBondContact O-N 3.49Å; E153-E156 PolarHBondContact O-N 3.32Å; D154-E156 VanDerWaalsContact C-N 3.32Å; D154-E156 PolarHBondContact O-N 2.98Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 2.7Å; E156-S159 CarbonylContact O-C 3.33Å; E156-S159 WeakPolarHBondContact O-CA 3.39Å; E156-S159 WeakPolarHBondContact O-CB 3.41Å; E156-S159 PolarHBondContact O-N 3.15Å; E156-S159 PolarHBondContact O-OG 3.07Å; E156-E160 WeakPolarHBondContact O-CG 3.25Å; E156-E160 PolarHBondContact O-N 2.69Å
157	L	66.8	Low	57.6	Low	99 Å²	99	116.4 Å²	116.4	52%	0.518	57%	0.572	S	S	.	*	H	α-helix	trans	-60.2	-38	175.7	-78.8	167.7	0	0	0	112.3	E153 D154 E160 S161	E153-L157 WeakPolarHBondContact O-CB 3.36Å; E153-L157 WeakPolarHBondContact O-CG 3.48Å; E153-L157 PolarHBondContact O-N 3.17Å; D154-L157 PolarHBondContact O-N 2.87Å; L157-E160 PolarHBondContact O-N 3.18Å; L157-S161 VanDerWaalsContact O-CB 3.24Å; L157-S161 WeakPolarHBondContact O-CB 3.38Å; L157-S161 PolarHBondContact O-N 3.11Å; L157-S161 PolarHBondContact O-OG 3.49Å
158	L	66.8	Low	58.5	Low	107 Å²	107	108 Å²	108	56%	0.56	55%	0.55	S	S	*	*	H	α-helix	trans	-67.5	-39	172	-74.8	169.1	0	0	0	111.5	D154 E156 R162	D154-L158 WeakPolarHBondContact O-CB 3.37Å; D154-L158 VanDerWaalsContact O-CG 3.23Å; D154-L158 WeakPolarHBondContact O-CG 3.26Å; D154-L158 PolarHBondContact O-N 3.47Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 2.7Å; L158-R162 WeakPolarHBondContact O-CB 3.15Å; L158-R162 WeakPolarHBondContact O-CG 3.07Å; L158-R162 PolarHBondContact O-N 3.32Å
159	S	62.5	Low	59.3	Low	42 Å²	42	104.3 Å²	104.3	29%	0.294	54%	0.54	S	S	.	.	H	α-helix	trans	-66.8	-38.4	175.1	88.4	0	0	0	0	111.9	E155 E156 R162 K163	E155-S159 VanDerWaalsContact O-CB 3.31Å; E155-S159 WeakPolarHBondContact O-CB 3.43Å; E155-S159 PolarHBondContact O-N 3.45Å; E156-S159 CarbonylContact O-C 3.33Å; E156-S159 WeakPolarHBondContact O-CA 3.39Å; E156-S159 WeakPolarHBondContact O-CB 3.41Å; E156-S159 PolarHBondContact O-N 3.15Å; E156-S159 PolarHBondContact O-OG 3.07Å; S159-R162 PolarHBondContact O-N 3.32Å; S159-K163 WeakPolarHBondContact O-CB 3.36Å; S159-K163 VanDerWaalsContact O-CG 3.24Å; S159-K163 WeakPolarHBondContact O-CG 3.42Å; S159-K163 PolarHBondContact O-N 3.33Å
160	E	51.8	Low	60.5	Low	106 Å²	106	109.3 Å²	109.3	50%	0.495	55%	0.55	S	S	.	.	H	α-helix	trans	-69.6	-44.2	176.7	-75.5	-164.6	153.2	0	0	110.7	E156 L157 R162 K163 T164	E156-E160 WeakPolarHBondContact O-CG 3.25Å; E156-E160 PolarHBondContact O-N 2.69Å; L157-E160 PolarHBondContact O-N 3.18Å; E160-R162 VanDerWaalsContact C-N 3.29Å; E160-R162 PolarHBondContact O-N 3.49Å; E160-K163 CarbonylContact O-C 3.11Å; E160-K163 WeakPolarHBondContact O-CA 3.39Å; E160-K163 WeakPolarHBondContact O-CB 3.46Å; E160-K163 PolarHBondContact O-N 3Å; E160-T164 PolarHBondContact O-N 3.01Å; E160-T164 PolarHBondContact O-OG1 3.28Å
161	S	45.8	Very low	61.4	Low	77 Å²	77	102.7 Å²	102.7	54%	0.538	52%	0.518	S	S	.	.	H	α-helix	trans	-59.2	-41	174.4	-63.8	0	0	0	0	111.4	L157 T164	L157-S161 VanDerWaalsContact O-CB 3.24Å; L157-S161 WeakPolarHBondContact O-CB 3.38Å; L157-S161 PolarHBondContact O-N 3.11Å; L157-S161 PolarHBondContact O-OG 3.49Å; S161-T164 WeakPolarHBondContact CA-OG1 3.38Å; S161-T164 PolarHBondContact O-N 2.8Å; S161-T164 PolarHBondContact O-OG1 3.06Å
162	R	50.7	Low	62.3	Low	195 Å²	195	103.6 Å²	103.6	74%	0.736	52%	0.523	S	S	*	.	H	α-helix	trans	-67.5	-37.4	172.5	-74.9	178.5	-178.9	-177.7	3.2	112.4	L158 S159 E160 S165	L158-R162 WeakPolarHBondContact O-CB 3.15Å; L158-R162 WeakPolarHBondContact O-CG 3.07Å; L158-R162 PolarHBondContact O-N 3.32Å; S159-R162 PolarHBondContact O-N 3.32Å; E160-R162 VanDerWaalsContact C-N 3.29Å; E160-R162 PolarHBondContact O-N 3.49Å; R162-S165 WeakPolarHBondContact O-CB 3.46Å; R162-S165 PolarHBondContact O-N 3.42Å; R162-S165 PolarHBondContact O-OG 2.86Å
163	K	45.1	Very low	63.2	Low	145 Å²	145	104.2 Å²	104.2	63%	0.63	53%	0.533	S	S	*	.	H	α-helix	trans	-65.2	-36.6	175.9	-76.4	169.7	-173.2	169.4	0	112.2	S159 E160 S165 N166	S159-K163 WeakPolarHBondContact O-CB 3.36Å; S159-K163 VanDerWaalsContact O-CG 3.24Å; S159-K163 WeakPolarHBondContact O-CG 3.42Å; S159-K163 PolarHBondContact O-N 3.33Å; E160-K163 CarbonylContact O-C 3.11Å; E160-K163 WeakPolarHBondContact O-CA 3.39Å; E160-K163 WeakPolarHBondContact O-CB 3.46Å; E160-K163 PolarHBondContact O-N 3Å; K163-S165 PolarHBondContact O-N 3.33Å; K163-N166 PolarHBondContact O-N 3.39Å
164	T	39.1	Very low	64.5	Low	108 Å²	108	100.7 Å²	100.7	66%	0.663	52%	0.52	S	S	*	.	H	α-helix	trans	-62.5	-20.2	174	22.9	0	0	0	0	113.6	E160 S161 N166	E160-T164 PolarHBondContact O-N 3.01Å; E160-T164 PolarHBondContact O-OG1 3.28Å; S161-T164 WeakPolarHBondContact CA-OG1 3.38Å; S161-T164 PolarHBondContact O-N 2.8Å; S161-T164 PolarHBondContact O-OG1 3.06Å; T164-N166 VanDerWaalsContact C-N 3.31Å; T164-N166 PolarHBondContact O-N 3.43Å
165	S	44	Very low	65.6	Low	90 Å²	90	96.9 Å²	96.9	63%	0.629	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.3	177.9	74.6	0	0	0	0	114.5	R162 K163 V167	R162-S165 WeakPolarHBondContact O-CB 3.46Å; R162-S165 PolarHBondContact O-N 3.42Å; R162-S165 PolarHBondContact O-OG 2.86Å; K163-S165 PolarHBondContact O-N 3.33Å; S165-V167 PolarHBondContact O-N 3.32Å
166	N	50.1	Low	66.4	Low	94 Å²	94	94.3 Å²	94.3	50%	0.503	50%	0.498	S	S	.	.			trans	-80.1	63	170	-86.6	-26.5	0	0	0	110.3	K163 T164 C168	K163-N166 PolarHBondContact O-N 3.39Å; T164-N166 VanDerWaalsContact C-N 3.31Å; T164-N166 PolarHBondContact O-N 3.43Å; N166-C168 PolarHBondContact O-N 3.18Å
167	V	52.6	Low	67.4	Low	103 Å²	103	91.3 Å²	91.3	62%	0.624	48%	0.483	S	S	*	.			trans	-59.6	105.1	166.9	-177.6	0	0	0	0	106.4	S165 I169	S165-V167 PolarHBondContact O-N 3.32Å; V167-I169 PolarHBondContact O-N 2.94Å
168	C	61.3	Low	68.6	Low	75 Å²	75	87.2 Å²	87.2	51%	0.507	46%	0.462	S	S	.	.			trans	-62.8	102.2	173.2	-175.7	0	0	0	0	107.1	N166 R170	N166-C168 PolarHBondContact O-N 3.18Å; C168-R170 PolarHBondContact O-N 3.4Å
169	I	72.3	Confident	69.6	Low	44 Å²	44	89 Å²	89	23%	0.226	47%	0.466	C	S	.	.			trans	-65.9	111.5	-176.9	-60.4	174.5	0	0	0	107.4	V167 F171 Y224 Y228	V167-I169 PolarHBondContact O-N 2.94Å; I169-F171 HydrophobicContact CG2-CE1 4.47Å; I169-F171 HydrophobicContact CG2-CE2 4.3Å; I169-F171 HydrophobicContact CG2-CZ 4.1Å; I169-Y224 HydrophobicContact CB-CE2 4.17Å; I169-Y224 HydrophobicContact CD1-CE2 4.32Å; I169-Y224 HydrophobicContact CG2-CE2 4.21Å; I169-Y228 HydrophobicContact CD1-CD1 3.71Å; I169-Y228 HydrophobicContact CD1-CE1 4.45Å; I169-Y228 HydrophobicContact CD1-CG 4.45Å; I169-Y228 HydrophobicContact CG2-CD1 4.32Å; I169-Y228 HydrophobicContact CG2-CE1 4.3Å
170	R	82.8	Confident	70.4	Confident	185 Å²	185	88.2 Å²	88.2	70%	0.698	46%	0.464	S	S	*	.			trans	-113.9	123.4	179	-171.9	176.9	177	143.7	-4.1	108.5	C168 N192	C168-R170 PolarHBondContact O-N 3.4Å; R170-N192 HydrophobicContact CG-CB 4.37Å; R170-N192 WeakPolarHBondContact CG-ND2 3.37Å
171	F	88	Confident	72	Confident	18 Å²	18	84.6 Å²	84.6	8%	0.079	46%	0.455	C	S	.	.			trans	-82.6	126.6	175.5	-66.9	-73.2	0	0	0	109.9	I169 P175 Y177 I188 L191 N192 I195 Y224 Y228	I169-F171 HydrophobicContact CG2-CE1 4.47Å; I169-F171 HydrophobicContact CG2-CE2 4.3Å; I169-F171 HydrophobicContact CG2-CZ 4.1Å; F171-P175 HydrophobicContact CD1-CB 4.14Å; F171-P175 HydrophobicContact CD1-CG 3.83Å; F171-P175 HydrophobicContact CD2-CG 4.09Å; F171-P175 HydrophobicContact CE1-CB 3.85Å; F171-P175 HydrophobicContact CE1-CG 3.93Å; F171-P175 HydrophobicContact CE2-CG 4.16Å; F171-P175 HydrophobicContact CG-CG 3.92Å; F171-P175 HydrophobicContact CZ-CB 4.15Å; F171-P175 HydrophobicContact CZ-CG 4.09Å; F171-Y177 HydrophobicContact CZ-CE1 4.46Å; F171-I188 HydrophobicContact CB-CG2 4.12Å; F171-I188 WeakPolarHBondContact O-CG2 3.33Å; F171-L191 HydrophobicContact CD2-CD2 3.96Å; F171-L191 HydrophobicContact CD2-CG 4.47Å; F171-L191 HydrophobicContact CE2-CD2 4.42Å; F171-N192 PolarHBondContact N-OD1 3.23Å; F171-N192 PolarHBondContact O-ND2 3.07Å; F171-I195 HydrophobicContact CD2-CD1 3.7Å; F171-I195 HydrophobicContact CE2-CD1 3.56Å; F171-Y224 AromaticContact CE2-CD2 3.66Å; F171-Y224 HydrophobicContact CE2-CD2 3.66Å; F171-Y224 HydrophobicContact CE2-CE2 4.16Å; F171-Y224 AromaticContact CZ-CD2 3.91Å; F171-Y224 HydrophobicContact CZ-CD2 3.91Å; F171-Y224 HydrophobicContact CZ-CE2 4.4Å; F171-Y228 HydrophobicContact CE1-CE1 4.47Å; F171-Y228 AromaticContact CE1-CE2 3.94Å; F171-Y228 HydrophobicContact CE1-CE2 3.94Å; F171-Y228 AromaticContact CE1-CZ 3.76Å; F171-Y228 HydrophobicContact CZ-CD2 4.01Å; F171-Y228 HydrophobicContact CZ-CE1 4.35Å; F171-Y228 AromaticContact CZ-CE2 3.62Å; F171-Y228 HydrophobicContact CZ-CE2 3.62Å; F171-Y228 AromaticContact CZ-CZ 3.78Å
172	E	86.7	Confident	73.9	Confident	176 Å²	176	85.1 Å²	85.1	82%	0.822	46%	0.457	S	S	*	.	S	Bend	trans	-93.7	-25.9	167.7	-62	-170.4	162	0	0	111.6
173	V	88.3	Confident	75.8	Confident	115 Å²	115	76.2 Å²	76.2	70%	0.697	42%	0.424	S	S	*	.	S	Bend	trans	-126.1	166.3	178.9	-90.8	0	0	0	0	110.2
174	S	88.7	Confident	77.8	Confident	34 Å²	34	74 Å²	74	24%	0.238	41%	0.412	C	S	.	.			trans	-56.9	131.8	179.5	-63.1	0	0	0	0	111.4	P182 L183	S174-P182 VanDerWaalsContact OG-CA 3.25Å; S174-P182 WeakPolarHBondContact OG-CA 3.45Å; S174-L183 WeakPolarHBondContact OG-CB 3.47Å; S174-L183 PolarHBondContact OG-N 3.41Å
175	P	90.2	Very high	80.1	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.032	41%	0.41	C	S	.	.			trans	-61.1	143.4	178.5	-19.8	30.5	0	0	0	111.8	F171 Y177 V178 L183 L191	F171-P175 HydrophobicContact CD1-CB 4.14Å; F171-P175 HydrophobicContact CD1-CG 3.83Å; F171-P175 HydrophobicContact CD2-CG 4.09Å; F171-P175 HydrophobicContact CE1-CB 3.85Å; F171-P175 HydrophobicContact CE1-CG 3.93Å; F171-P175 HydrophobicContact CE2-CG 4.16Å; F171-P175 HydrophobicContact CG-CG 3.92Å; F171-P175 HydrophobicContact CZ-CB 4.15Å; F171-P175 HydrophobicContact CZ-CG 4.09Å; P175-Y177 HydrophobicContact CB-CD1 3.79Å; P175-Y177 HydrophobicContact CB-CD2 4.39Å; P175-Y177 HydrophobicContact CB-CE1 3.27Å; P175-Y177 HydrophobicContact CB-CE2 3.95Å; P175-Y177 HydrophobicContact CB-CG 4.31Å; P175-Y177 HydrophobicContact CG-CE1 4.15Å; P175-Y177 HydrophobicContact CG-CE2 4.38Å; P175-Y177 PolarHBondContact O-N 3.16Å; P175-Y177 VanDerWaalsContact O-N 3.1Å; P175-V178 HydrophobicContact CB-CG2 4.32Å; P175-V178 HydrophobicContact CG-CG2 4.37Å; P175-V178 WeakPolarHBondContact O-CB 3.44Å; P175-V178 PolarHBondContact O-N 3.09Å; P175-L183 VanDerWaalsContact CD-CD1 3.43Å; P175-L183 HydrophobicContact CG-CD1 4.4Å; P175-L191 HydrophobicContact CG-CD2 3.69Å
176	S	89.8	Confident	82.3	Confident	89 Å²	89	70.9 Å²	70.9	62%	0.622	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.8	-174.9	58.3	0	0	0	0	114.9	V178 K179	S176-V178 VanDerWaalsContact C-N 3.34Å; S176-K179 WeakPolarHBondContact O-CE 3.47Å; S176-K179 PolarHBondContact O-NZ 3.37Å
177	Y	91.6	Very high	84.3	Confident	10 Å²	10	66.7 Å²	66.7	4%	0.039	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.6	176.8	58.2	-102.2	0	0	0	113.6	F171 P175 K179 A220 Y224 H227 Y228 V255	F171-Y177 HydrophobicContact CZ-CE1 4.46Å; P175-Y177 HydrophobicContact CB-CD1 3.79Å; P175-Y177 HydrophobicContact CB-CD2 4.39Å; P175-Y177 HydrophobicContact CB-CE1 3.27Å; P175-Y177 HydrophobicContact CB-CE2 3.95Å; P175-Y177 HydrophobicContact CB-CG 4.31Å; P175-Y177 HydrophobicContact CG-CE1 4.15Å; P175-Y177 HydrophobicContact CG-CE2 4.38Å; P175-Y177 PolarHBondContact O-N 3.16Å; P175-Y177 VanDerWaalsContact O-N 3.1Å; Y177-K179 PolarHBondContact O-N 3.3Å; Y177-A220 WeakPolarHBondContact CE2-O 3.43Å; Y177-A220 PolarHBondContact OH-O 3.01Å; Y177-Y224 WeakPolarHBondContact OH-CA 3.02Å; Y177-Y224 VanDerWaalsContact OH-CB 3.31Å; Y177-Y224 WeakPolarHBondContact OH-CB 3.43Å; Y177-Y224 PolarHBondContact OH-N 3.14Å; Y177-H227 WeakPolarHBondContact CB-CD2 3.42Å; Y177-H227 WeakPolarHBondContact CB-NE2 3.49Å; Y177-H227 HydrophobicContact CD1-CB 3.9Å; Y177-H227 AromaticContact CD1-CD2 3.77Å; Y177-H227 AromaticContact CD1-CG 3.99Å; Y177-H227 HydrophobicContact CE1-CB 4.41Å; Y177-H227 AromaticContact CG-CD2 3.49Å; Y177-H227 VanDerWaalsContact CG-CD2 3.49Å; Y177-Y228 HydrophobicContact CD1-CD2 4.41Å; Y177-Y228 HydrophobicContact CD1-CE2 4.01Å; Y177-Y228 AromaticContact CE1-CD2 3.87Å; Y177-Y228 HydrophobicContact CE1-CD2 3.87Å; Y177-Y228 AromaticContact CE1-CE2 3.64Å; Y177-Y228 HydrophobicContact CE1-CE2 3.64Å; Y177-V255 HydrophobicContact CD2-CG1 4.27Å; Y177-V255 HydrophobicContact CD2-CG2 4.12Å
178	V	92	Very high	86.2	Confident	13 Å²	13	62.4 Å²	62.4	8%	0.079	33%	0.334	C	S	.	.			trans	-84.3	108.4	174.2	-177.9	0	0	0	0	108.7	P175 S176 L183 A220 W254 V255	P175-V178 HydrophobicContact CB-CG2 4.32Å; P175-V178 HydrophobicContact CG-CG2 4.37Å; P175-V178 WeakPolarHBondContact O-CB 3.44Å; P175-V178 PolarHBondContact O-N 3.09Å; S176-V178 VanDerWaalsContact C-N 3.34Å; V178-L183 HydrophobicContact CG2-CD1 4.32Å; V178-A220 HydrophobicContact CG2-CB 4.31Å; V178-W254 CarbonylContact C-O 3.6Å; V178-W254 VanDerWaalsContact CA-O 3.3Å; V178-W254 WeakPolarHBondContact CA-O 3.45Å; V178-W254 HydrophobicContact CG1-CE3 3.77Å; V178-W254 HydrophobicContact CG1-CZ3 4.43Å; V178-V255 HydrophobicContact CG2-CG2 4.33Å
179	K	88.8	Confident	87.6	Confident	145 Å²	145	67 Å²	67	63%	0.63	34%	0.34	S	S	*	.			trans	-98.8	-23.3	-171.6	-60.9	-54.5	-171.7	-169.1	0	114.8	S176 Y177 G181 W254 P256	S176-K179 WeakPolarHBondContact O-CE 3.47Å; S176-K179 PolarHBondContact O-NZ 3.37Å; Y177-K179 PolarHBondContact O-N 3.3Å; K179-G181 PolarHBondContact O-N 2.86Å; K179-W254 PolarHBondContact N-O 2.93Å; K179-P256 HydrophobicContact CG-CG 4.29Å
180	G	79.4	Confident	88.6	Confident	25 Å²	25	64.9 Å²	64.9	26%	0.258	33%	0.33	S	S	.	.	S	Bend	trans	-71.8	4	-173.9	0	0	0	0	0	116.4	R253 W254	G180-R253 WeakPolarHBondContact CA-O 3.31Å; G180-R253 PolarHBondContact N-O 3.45Å; G180-W254 VanDerWaalsContact CA-CE3 3.42Å; G180-W254 WeakPolarHBondContact O-CH2 3.46Å; G180-W254 WeakPolarHBondContact O-CZ3 3.31Å
181	G	84.5	Confident	89.1	Confident	30 Å²	30	56.1 Å²	56.1	31%	0.309	30%	0.296	S	S	.	.	S	Bend	trans	126.9	171.3	-174.9	0	0	0	0	0	112.7	K179 W254	K179-G181 PolarHBondContact O-N 2.86Å; G181-W254 WeakPolarHBondContact O-CZ3 3.27Å
182	P	86.8	Confident	89.4	Confident	89 Å²	89	56.2 Å²	56.2	58%	0.578	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-73.5	134.3	177.4	29.5	-33.4	0	0	0	111.7	S174 R184	S174-P182 VanDerWaalsContact OG-CA 3.25Å; S174-P182 WeakPolarHBondContact OG-CA 3.45Å; P182-R184 PolarHBondContact O-NH1 3.39Å
183	L	89.2	Confident	89.7	Confident	7 Å²	7	50.2 Å²	50.2	4%	0.037	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-58.2	142.9	163.7	-70.2	154.9	0	0	0	109.8	S174 P175 V178 Q187 I188 L191 L216 A220	S174-L183 WeakPolarHBondContact OG-CB 3.47Å; S174-L183 PolarHBondContact OG-N 3.41Å; P175-L183 VanDerWaalsContact CD-CD1 3.43Å; P175-L183 HydrophobicContact CG-CD1 4.4Å; V178-L183 HydrophobicContact CG2-CD1 4.32Å; L183-Q187 HydrophobicContact CB-CB 4.17Å; L183-Q187 HydrophobicContact CD2-CB 3.82Å; L183-I188 HydrophobicContact CB-CD1 4.36Å; L183-I188 HydrophobicContact CB-CG1 3.7Å; L183-I188 HydrophobicContact CD1-CG1 4.42Å; L183-L191 HydrophobicContact CD1-CD2 4.34Å; L183-L216 HydrophobicContact CD2-CD1 4.12Å; L183-L216 HydrophobicContact CD2-CD2 3.69Å; L183-L216 HydrophobicContact CD2-CG 3.61Å; L183-A220 HydrophobicContact CD1-CB 4.5Å
184	R	87.6	Confident	90	Very high	100 Å²	100	44.8 Å²	44.8	38%	0.377	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-70.8	156.8	170.6	-60.1	-66.4	-175.8	-95.6	4.9	110.7	P182 Y186 Q187 I188	P182-R184 PolarHBondContact O-NH1 3.39Å; R184-Y186 VanDerWaalsContact C-N 3.29Å; R184-Y186 HydrophobicContact CB-CD1 3.84Å; R184-Y186 HydrophobicContact CB-CE1 3.45Å; R184-Y186 VanDerWaalsContact CB-CE1 3.45Å; R184-Y186 HydrophobicContact CG-CE1 3.96Å; R184-Y186 PolarHBondContact O-N 3.12Å; R184-Q187 HydrophobicContact CB-CB 4.5Å; R184-Q187 HydrophobicContact CB-CG 4.08Å; R184-Q187 CarbonylContact O-C 3.56Å; R184-Q187 WeakPolarHBondContact O-CA 3.31Å; R184-Q187 VanDerWaalsContact O-CB 3.3Å; R184-Q187 WeakPolarHBondContact O-CB 3.29Å; R184-Q187 PolarHBondContact O-N 3.12Å; R184-I188 PolarHBondContact O-N 3.05Å
185	D	88.1	Confident	90.1	Very high	118 Å²	118	43.2 Å²	43.2	63%	0.631	22%	0.223	S	C	*	.	H	α-helix	trans	-53.2	-43.5	-177.9	-59.6	-5	0	0	0	113.3	Q187 I188 R189	D185-Q187 VanDerWaalsContact C-N 3.33Å; D185-Q187 PolarHBondContact O-N 3.4Å; D185-I188 PolarHBondContact O-N 3.34Å; D185-R189 WeakPolarHBondContact O-CG 3.4Å; D185-R189 PolarHBondContact O-N 2.91Å
186	Y	89.5	Confident	90.1	Very high	13 Å²	13	44.9 Å²	44.9	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-69.3	-32.6	176.2	68.7	-89.7	0	0	0	111.8	R184 I188 R189 G190 L212 R398 V403 E404 I611	R184-Y186 VanDerWaalsContact C-N 3.29Å; R184-Y186 HydrophobicContact CB-CD1 3.84Å; R184-Y186 HydrophobicContact CB-CE1 3.45Å; R184-Y186 VanDerWaalsContact CB-CE1 3.45Å; R184-Y186 HydrophobicContact CG-CE1 3.96Å; R184-Y186 PolarHBondContact O-N 3.12Å; Y186-I188 VanDerWaalsContact C-N 3.31Å; Y186-R189 PolarHBondContact O-N 3.35Å; Y186-G190 PolarHBondContact O-N 3.07Å; Y186-L212 HydrophobicContact CE2-CB 4.09Å; Y186-L212 HydrophobicContact CE2-CD2 3.92Å; Y186-L212 WeakPolarHBondContact CE2-O 3.46Å; Y186-R398 PolarHBondContact O-NH1 3.02Å; Y186-V403 HydrophobicContact CD1-CB 3.87Å; Y186-V403 HydrophobicContact CD1-CG2 4.05Å; Y186-V403 HydrophobicContact CD2-CB 4.37Å; Y186-V403 HydrophobicContact CD2-CG2 4.05Å; Y186-V403 HydrophobicContact CE1-CG2 4.26Å; Y186-V403 HydrophobicContact CE2-CG2 4.26Å; Y186-V403 HydrophobicContact CG-CB 3.79Å; Y186-V403 HydrophobicContact CG-CG1 4.49Å; Y186-V403 HydrophobicContact CG-CG2 3.94Å; Y186-E404 HydrophobicContact CE1-CB 4.36Å; Y186-E404 WeakPolarHBondContact CE1-OE2 3.19Å; Y186-E404 PolarHBondContact OH-OE2 3.41Å; Y186-I611 WeakPolarHBondContact OH-CD1 3.43Å
187	Q	92.1	Very high	90.1	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-67.2	-37	175.3	-61.6	174.1	-28.4	0	0	110.7	L183 R184 D185 G190 L191 Q217	L183-Q187 HydrophobicContact CB-CB 4.17Å; L183-Q187 HydrophobicContact CD2-CB 3.82Å; R184-Q187 HydrophobicContact CB-CB 4.5Å; R184-Q187 HydrophobicContact CB-CG 4.08Å; R184-Q187 CarbonylContact O-C 3.56Å; R184-Q187 WeakPolarHBondContact O-CA 3.31Å; R184-Q187 VanDerWaalsContact O-CB 3.3Å; R184-Q187 WeakPolarHBondContact O-CB 3.29Å; R184-Q187 PolarHBondContact O-N 3.12Å; D185-Q187 VanDerWaalsContact C-N 3.33Å; D185-Q187 PolarHBondContact O-N 3.4Å; Q187-G190 PolarHBondContact O-N 3.29Å; Q187-L191 WeakPolarHBondContact O-CB 3.4Å; Q187-L191 PolarHBondContact O-N 2.76Å; Q187-Q217 HydrophobicContact CB-CG 4.03Å; Q187-Q217 HydrophobicContact CG-CG 4.27Å
188	I	92.5	Very high	90	Very high	13 Å²	13	40.9 Å²	40.9	7%	0.067	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-46.6	172	-62.5	171.3	0	0	0	110.3	F171 L183 R184 D185 Y186 G190 L191 N192	F171-I188 HydrophobicContact CB-CG2 4.12Å; F171-I188 WeakPolarHBondContact O-CG2 3.33Å; L183-I188 HydrophobicContact CB-CD1 4.36Å; L183-I188 HydrophobicContact CB-CG1 3.7Å; L183-I188 HydrophobicContact CD1-CG1 4.42Å; R184-I188 PolarHBondContact O-N 3.05Å; D185-I188 PolarHBondContact O-N 3.34Å; Y186-I188 VanDerWaalsContact C-N 3.31Å; I188-G190 VanDerWaalsContact C-N 3.27Å; I188-G190 PolarHBondContact O-N 3.1Å; I188-L191 PolarHBondContact O-N 3.47Å; I188-N192 WeakPolarHBondContact O-CB 3.3Å; I188-N192 VanDerWaalsContact O-CG 3.29Å; I188-N192 PolarHBondContact O-N 2.97Å; I188-N192 PolarHBondContact O-ND2 2.99Å
189	R	90.8	Very high	89.7	Confident	172 Å²	172	41.7 Å²	41.7	65%	0.649	21%	0.21	S	C	*	.	H	α-helix	trans	-59.6	-38.7	174.2	-68.8	176.4	-166.8	-176.4	4.1	112.4	D185 Y186 N192 W193	D185-R189 WeakPolarHBondContact O-CG 3.4Å; D185-R189 PolarHBondContact O-N 2.91Å; Y186-R189 PolarHBondContact O-N 3.35Å; R189-N192 PolarHBondContact O-N 3.02Å; R189-W193 WeakPolarHBondContact O-CB 3.25Å; R189-W193 PolarHBondContact O-N 3.48Å
190	G	92.5	Very high	89.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.3	-39.2	177.7	0	0	0	0	0	112.6	Y186 Q187 I188 W193 L194	Y186-G190 PolarHBondContact O-N 3.07Å; Q187-G190 PolarHBondContact O-N 3.29Å; I188-G190 VanDerWaalsContact C-N 3.27Å; I188-G190 PolarHBondContact O-N 3.1Å; G190-W193 PolarHBondContact O-N 3.1Å; G190-L194 WeakPolarHBondContact O-CG 3.32Å; G190-L194 PolarHBondContact O-N 3.39Å
191	L	94.5	Very high	89.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-47.9	170.4	175.1	61.4	0	0	0	111.2	F171 P175 L183 Q187 I188 W193 L194 I195 A220 L221	F171-L191 HydrophobicContact CD2-CD2 3.96Å; F171-L191 HydrophobicContact CD2-CG 4.47Å; F171-L191 HydrophobicContact CE2-CD2 4.42Å; P175-L191 HydrophobicContact CG-CD2 3.69Å; L183-L191 HydrophobicContact CD1-CD2 4.34Å; Q187-L191 WeakPolarHBondContact O-CB 3.4Å; Q187-L191 PolarHBondContact O-N 2.76Å; I188-L191 PolarHBondContact O-N 3.47Å; L191-W193 VanDerWaalsContact C-N 3.27Å; L191-W193 PolarHBondContact O-N 2.56Å; L191-L194 WeakPolarHBondContact O-CB 3.19Å; L191-L194 PolarHBondContact O-N 2.94Å; L191-L194 VanDerWaalsContact O-N 3.15Å; L191-I195 HydrophobicContact CD1-CD1 4.01Å; L191-I195 HydrophobicContact CD1-CG1 4.22Å; L191-I195 HydrophobicContact CG-CD1 3.85Å; L191-I195 HydrophobicContact CG-CG1 4.48Å; L191-I195 VanDerWaalsContact O-CG1 3.3Å; L191-I195 WeakPolarHBondContact O-CG1 3.47Å; L191-I195 PolarHBondContact O-N 3.49Å; L191-A220 HydrophobicContact CD1-CB 4.02Å; L191-A220 HydrophobicContact CD2-CB 4.06Å; L191-L221 HydrophobicContact CD1-CB 4.09Å
192	N	93.7	Very high	89.8	Confident	20 Å²	20	34.2 Å²	34.2	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-37	177.3	-70.7	-29.6	0	0	0	112.2	R170 F171 I188 R189 I195 S196	R170-N192 HydrophobicContact CG-CB 4.37Å; R170-N192 WeakPolarHBondContact CG-ND2 3.37Å; F171-N192 PolarHBondContact N-OD1 3.23Å; F171-N192 PolarHBondContact O-ND2 3.07Å; I188-N192 WeakPolarHBondContact O-CB 3.3Å; I188-N192 VanDerWaalsContact O-CG 3.29Å; I188-N192 PolarHBondContact O-N 2.97Å; I188-N192 PolarHBondContact O-ND2 2.99Å; R189-N192 PolarHBondContact O-N 3.02Å; N192-I195 PolarHBondContact O-N 2.94Å; N192-S196 WeakPolarHBondContact O-CB 3.43Å; N192-S196 PolarHBondContact O-N 3.26Å
193	W	92.9	Very high	90	Very high	51 Å²	51	30.3 Å²	30.3	19%	0.193	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-45.3	173.4	176.9	80.3	0	0	0	111.6	R189 G190 L191 I195 S196 L197 F394 L396	R189-W193 WeakPolarHBondContact O-CB 3.25Å; R189-W193 PolarHBondContact O-N 3.48Å; G190-W193 PolarHBondContact O-N 3.1Å; L191-W193 VanDerWaalsContact C-N 3.27Å; L191-W193 PolarHBondContact O-N 2.56Å; W193-I195 VanDerWaalsContact C-N 3.34Å; W193-I195 PolarHBondContact O-N 2.95Å; W193-S196 WeakPolarHBondContact O-CB 3.26Å; W193-S196 PolarHBondContact O-N 3.15Å; W193-L197 HydrophobicContact CD2-CD1 4.1Å; W193-L197 HydrophobicContact CD2-CG 4.38Å; W193-L197 HydrophobicContact CE3-CD1 4Å; W193-L197 HydrophobicContact CH2-CD1 3.4Å; W193-L197 HydrophobicContact CZ2-CD1 3.48Å; W193-L197 VanDerWaalsContact CZ2-CD1 3.48Å; W193-L197 HydrophobicContact CZ2-CD2 4.42Å; W193-L197 HydrophobicContact CZ2-CG 4.2Å; W193-L197 HydrophobicContact CZ3-CD1 3.67Å; W193-L197 WeakPolarHBondContact O-CG 3.3Å; W193-L197 PolarHBondContact O-N 3.32Å; W193-F394 VanDerWaalsContact CH2-O 3.28Å; W193-F394 WeakPolarHBondContact CH2-O 3.45Å; W193-F394 WeakPolarHBondContact CZ2-O 3.36Å; W193-L396 HydrophobicContact CB-CD2 4.14Å; W193-L396 HydrophobicContact CD2-CB 3.74Å; W193-L396 HydrophobicContact CD2-CD2 3.77Å; W193-L396 HydrophobicContact CD2-CG 4.3Å; W193-L396 HydrophobicContact CE3-CB 3.64Å; W193-L396 HydrophobicContact CE3-CD2 3.63Å; W193-L396 HydrophobicContact CE3-CG 4.29Å; W193-L396 HydrophobicContact CG-CD2 4Å; W193-L396 HydrophobicContact CH2-CB 3.5Å; W193-L396 HydrophobicContact CZ2-CB 3.61Å; W193-L396 HydrophobicContact CZ3-CB 3.53Å; W193-L396 HydrophobicContact CZ3-CD2 4.27Å
194	L	94	Very high	90	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-40.6	174.9	-72.6	173.3	0	0	0	112.5	G190 L191 L197 Y198 Q217 L221 L336	G190-L194 WeakPolarHBondContact O-CG 3.32Å; G190-L194 PolarHBondContact O-N 3.39Å; L191-L194 WeakPolarHBondContact O-CB 3.19Å; L191-L194 PolarHBondContact O-N 2.94Å; L191-L194 VanDerWaalsContact O-N 3.15Å; L194-L197 PolarHBondContact O-N 2.99Å; L194-Y198 PolarHBondContact O-N 2.94Å; L194-Q217 HydrophobicContact CD1-CB 4.34Å; L194-L221 HydrophobicContact CB-CD1 4.1Å; L194-L221 HydrophobicContact CB-CD2 4.12Å; L194-L221 HydrophobicContact CB-CG 4.48Å; L194-L221 HydrophobicContact CD1-CB 4.29Å; L194-L221 HydrophobicContact CD1-CD2 4.28Å; L194-L336 HydrophobicContact CD2-CD1 3.72Å; L194-L336 HydrophobicContact CD2-CD2 4.05Å
195	I	92.5	Very high	90.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-62.6	-46.3	174.5	-68.6	166.1	0	0	0	109.6	F171 L191 N192 W193 L197 Y198 E199 L221 Y224	F171-I195 HydrophobicContact CD2-CD1 3.7Å; F171-I195 HydrophobicContact CE2-CD1 3.56Å; L191-I195 HydrophobicContact CD1-CD1 4.01Å; L191-I195 HydrophobicContact CD1-CG1 4.22Å; L191-I195 HydrophobicContact CG-CD1 3.85Å; L191-I195 HydrophobicContact CG-CG1 4.48Å; L191-I195 VanDerWaalsContact O-CG1 3.3Å; L191-I195 WeakPolarHBondContact O-CG1 3.47Å; L191-I195 PolarHBondContact O-N 3.49Å; N192-I195 PolarHBondContact O-N 2.94Å; W193-I195 VanDerWaalsContact C-N 3.34Å; W193-I195 PolarHBondContact O-N 2.95Å; I195-L197 VanDerWaalsContact C-N 3.3Å; I195-L197 PolarHBondContact O-N 3.33Å; I195-Y198 WeakPolarHBondContact O-CB 3.46Å; I195-Y198 PolarHBondContact O-N 3.33Å; I195-Y198 VanDerWaalsContact O-N 3.12Å; I195-E199 HydrophobicContact CG2-CG 4.11Å; I195-E199 WeakPolarHBondContact O-CG 3.45Å; I195-E199 PolarHBondContact O-N 2.99Å; I195-L221 HydrophobicContact CG1-CD1 4.25Å; I195-Y224 HydrophobicContact CD1-CD1 4.27Å; I195-Y224 HydrophobicContact CD1-CD2 3.87Å; I195-Y224 HydrophobicContact CD1-CE1 4.5Å; I195-Y224 HydrophobicContact CD1-CE2 4.11Å; I195-Y224 HydrophobicContact CD1-CG 3.94Å; I195-Y224 HydrophobicContact CG1-CD1 3.85Å; I195-Y224 HydrophobicContact CG1-CD2 4.36Å; I195-Y224 HydrophobicContact CG1-CE1 4.03Å; I195-Y224 HydrophobicContact CG1-CG 4.02Å; I195-Y224 HydrophobicContact CG2-CE1 3.88Å; I195-Y224 HydrophobicContact CG2-CE2 4.41Å
196	S	89.6	Confident	90.4	Very high	41 Å²	41	19.7 Å²	19.7	29%	0.287	9%	0.089	S	C	.	.	H	α-helix	trans	-58.7	-41.2	177.3	-177.6	0	0	0	0	112.3	N192 W193 E199 N200	N192-S196 WeakPolarHBondContact O-CB 3.43Å; N192-S196 PolarHBondContact O-N 3.26Å; W193-S196 WeakPolarHBondContact O-CB 3.26Å; W193-S196 PolarHBondContact O-N 3.15Å; S196-E199 PolarHBondContact O-N 3.48Å; S196-N200 PolarHBondContact O-N 3.4Å; S196-N200 PolarHBondContact O-ND2 3.19Å
197	L	89.4	Confident	90.3	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-60.8	-48.7	173.6	-71.1	-176.5	0	0	0	111.5	W193 L194 I195 E199 N200 G201 V202	W193-L197 HydrophobicContact CD2-CD1 4.1Å; W193-L197 HydrophobicContact CD2-CG 4.38Å; W193-L197 HydrophobicContact CE3-CD1 4Å; W193-L197 HydrophobicContact CH2-CD1 3.4Å; W193-L197 HydrophobicContact CZ2-CD1 3.48Å; W193-L197 VanDerWaalsContact CZ2-CD1 3.48Å; W193-L197 HydrophobicContact CZ2-CD2 4.42Å; W193-L197 HydrophobicContact CZ2-CG 4.2Å; W193-L197 HydrophobicContact CZ3-CD1 3.67Å; W193-L197 WeakPolarHBondContact O-CG 3.3Å; W193-L197 PolarHBondContact O-N 3.32Å; L194-L197 PolarHBondContact O-N 2.99Å; I195-L197 VanDerWaalsContact C-N 3.3Å; I195-L197 PolarHBondContact O-N 3.33Å; L197-E199 PolarHBondContact O-N 3.33Å; L197-N200 CarbonylContact O-C 3.51Å; L197-N200 PolarHBondContact O-N 3.46Å; L197-G201 PolarHBondContact O-N 3.49Å; L197-G201 VanDerWaalsContact O-N 3.17Å; L197-V202 CarbonylContact C-O 3.55Å; L197-V202 WeakPolarHBondContact CB-O 3.42Å; L197-V202 HydrophobicContact CD2-CB 4.13Å; L197-V202 HydrophobicContact CD2-CG1 3.87Å; L197-V202 PolarHBondContact O-N 3.36Å
198	Y	89.6	Confident	90.1	Very high	13 Å²	13	18.9 Å²	18.9	5%	0.051	9%	0.086	C	C	.	.	H	α-helix	trans	-58.7	-45.3	178.3	174.6	-95.1	0	0	0	112.9	K86 L194 I195 N200 G201 L225 R229 I231 Y307 N334	K86-Y198 PolarHBondContact NZ-OH 2.85Å; L194-Y198 PolarHBondContact O-N 2.94Å; I195-Y198 WeakPolarHBondContact O-CB 3.46Å; I195-Y198 PolarHBondContact O-N 3.33Å; I195-Y198 VanDerWaalsContact O-N 3.12Å; Y198-N200 PolarHBondContact O-N 3Å; Y198-G201 PolarHBondContact O-N 2.85Å; Y198-L225 HydrophobicContact CD1-CD2 3.95Å; Y198-L225 HydrophobicContact CD2-CD2 3.9Å; Y198-L225 HydrophobicContact CE1-CD2 3.57Å; Y198-L225 HydrophobicContact CE2-CD1 4.38Å; Y198-L225 HydrophobicContact CE2-CD2 3.46Å; Y198-L225 VanDerWaalsContact CE2-CD2 3.46Å; Y198-L225 HydrophobicContact CG-CD2 4.1Å; Y198-R229 HydrophobicContact CE1-CG 4.21Å; Y198-I231 WeakPolarHBondContact OH-CD1 3.41Å; Y198-Y307 HydrophobicContact CD2-CD2 4.38Å; Y198-Y307 AromaticContact CD2-CE2 4Å; Y198-Y307 HydrophobicContact CD2-CE2 4Å; Y198-N334 HydrophobicContact CD2-CB 4.47Å; Y198-N334 WeakPolarHBondContact CE2-ND2 3.48Å
199	E	86.4	Confident	89.4	Confident	29 Å²	29	20.7 Å²	20.7	14%	0.136	9%	0.094	C	C	.	.	H	α-helix	trans	-64.3	-29.6	-179.7	-69.7	-57.1	147.7	0	0	113.4	K93 I195 S196 L197 G201 Y224 R229	K93-E199 WeakPolarHBondContact CD-O 3.5Å; I195-E199 HydrophobicContact CG2-CG 4.11Å; I195-E199 WeakPolarHBondContact O-CG 3.45Å; I195-E199 PolarHBondContact O-N 2.99Å; S196-E199 PolarHBondContact O-N 3.48Å; L197-E199 PolarHBondContact O-N 3.33Å; E199-G201 VanDerWaalsContact C-N 3.3Å; E199-Y224 PolarHBondContact OE1-OH 2.89Å; E199-Y224 VanDerWaalsContact OE1-OH 3.12Å; E199-R229 IonicContact OE1-CZ 3.78Å; E199-R229 IonicContact OE1-NE 2.82Å; E199-R229 PolarHBondContact OE1-NE 2.94Å; E199-R229 IonicContact OE1-NH2 2.7Å; E199-R229 PolarHBondContact OE1-NH2 2.99Å; E199-R229 IonicContact OE2-CZ 4Å; E199-R229 IonicContact OE2-NH2 2.7Å; E199-R229 PolarHBondContact OE2-NH2 3.4Å
200	N	84.7	Confident	88.8	Confident	43 Å²	43	13.4 Å²	13.4	23%	0.23	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	1.5	174.7	-69.4	-64.8	0	0	0	112.6	K93 R94 F97 S196 L197 Y198 V202	K93-N200 CarbonylContact C-O 3.52Å; R94-N200 VanDerWaalsContact CA-O 3.28Å; R94-N200 WeakPolarHBondContact CA-O 3.25Å; R94-N200 PolarHBondContact N-O 3.32Å; R94-N200 VanDerWaalsContact N-O 3.13Å; F97-N200 HydrophobicContact CB-CB 4.17Å; F97-N200 HydrophobicContact CD2-CB 4.03Å; F97-N200 HydrophobicContact CG-CB 4.01Å; S196-N200 PolarHBondContact O-N 3.4Å; S196-N200 PolarHBondContact O-ND2 3.19Å; L197-N200 CarbonylContact O-C 3.51Å; L197-N200 PolarHBondContact O-N 3.46Å; Y198-N200 PolarHBondContact O-N 3Å; N200-V202 HydrophobicContact CB-CG2 3.82Å; N200-V202 PolarHBondContact O-N 3.2Å
201	G	84	Confident	88.1	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	22.7	-176.4	0	0	0	0	0	113.1	R94 L197 Y198 E199	R94-G201 PolarHBondContact NE-O 2.78Å; R94-G201 PolarHBondContact NH2-O 2.94Å; L197-G201 PolarHBondContact O-N 3.49Å; L197-G201 VanDerWaalsContact O-N 3.17Å; Y198-G201 PolarHBondContact O-N 2.85Å; E199-G201 VanDerWaalsContact C-N 3.3Å
202	V	85.2	Confident	87.5	Confident	1 Å²	1	13.7 Å²	13.7	1%	0.006	7%	0.07	C	C	.	.			trans	-100.7	141.2	-174	-179.4	0	0	0	0	109.9	R94 F97 L197 N200 F394	R94-V202 HydrophobicContact CB-CG2 4.33Å; R94-V202 HydrophobicContact CG-CG2 3.95Å; F97-V202 HydrophobicContact CB-CG2 4.39Å; F97-V202 HydrophobicContact CD1-CG2 3.59Å; F97-V202 HydrophobicContact CE1-CG2 4.15Å; F97-V202 HydrophobicContact CG-CG2 4.17Å; L197-V202 CarbonylContact C-O 3.55Å; L197-V202 WeakPolarHBondContact CB-O 3.42Å; L197-V202 HydrophobicContact CD2-CB 4.13Å; L197-V202 HydrophobicContact CD2-CG1 3.87Å; L197-V202 PolarHBondContact O-N 3.36Å; N200-V202 HydrophobicContact CB-CG2 3.82Å; N200-V202 PolarHBondContact O-N 3.2Å; V202-F394 HydrophobicContact CG1-CD1 3.26Å; V202-F394 HydrophobicContact CG1-CE1 3.33Å; V202-F394 HydrophobicContact CG1-CG 4.5Å
203	N	90.5	Very high	87.2	Confident	7 Å²	7	13.2 Å²	13.2	4%	0.037	7%	0.07	C	C	.	.			trans	-85.2	157.3	176.1	-65.6	-35.4	0	0	0	111.4	N334 R335 L357	N203-N334 WeakPolarHBondContact OD1-CA 3.43Å; N203-R335 WeakPolarHBondContact CA-O 3.45Å; N203-R335 HydrophobicContact CB-CB 4.32Å; N203-R335 WeakPolarHBondContact CB-O 3.43Å; N203-R335 PolarHBondContact OD1-N 2.92Å; N203-R335 PolarHBondContact OD1-O 3.25Å; N203-L357 HydrophobicContact CB-CB 4.2Å; N203-L357 HydrophobicContact CB-CD2 3.61Å; N203-L357 PolarHBondContact ND2-O 3.07Å
204	G	90.5	Very high	87.1	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.8	-173.5	0	0	0	0	0	115.1	R335 L336 L337	G204-R335 PolarHBondContact N-O 3.45Å; G204-L336 WeakPolarHBondContact O-CA 3.5Å; G204-L336 WeakPolarHBondContact O-CD1 3.42Å; G204-L337 PolarHBondContact O-N 3.38Å
205	I	91.3	Very high	87	Confident	2 Å²	2	12 Å²	12	1%	0.01	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113.4	165.6	-51.3	-175.6	0	0	0	108.2	A207 L337 T339 L357 F394 L395 L396	I205-A207 HydrophobicContact CG2-CB 4.27Å; I205-A207 PolarHBondContact O-N 3.41Å; I205-L337 CarbonylContact C-O 3.55Å; I205-L337 WeakPolarHBondContact CA-O 3.37Å; I205-L337 HydrophobicContact CB-CB 4.44Å; I205-L337 HydrophobicContact CD1-CD1 4.18Å; I205-L337 HydrophobicContact CG1-CB 4.14Å; I205-L337 HydrophobicContact CG1-CD1 4.13Å; I205-L337 HydrophobicContact CG2-CB 4.17Å; I205-T339 HydrophobicContact CG2-CG2 4.05Å; I205-L357 HydrophobicContact CD1-CD1 3.81Å; I205-L357 HydrophobicContact CG1-CD1 3.86Å; I205-L357 HydrophobicContact CG1-CD2 4Å; I205-L357 HydrophobicContact CG1-CG 4.35Å; I205-F394 PolarHBondContact N-O 2.8Å; I205-L395 HydrophobicContact CB-CD1 3.65Å; I205-L395 HydrophobicContact CD1-CD1 4.49Å; I205-L395 HydrophobicContact CG2-CD1 3.5Å; I205-L396 PolarHBondContact O-N 2.82Å
206	L	91.9	Very high	87	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	98.2	170.9	-174	63.6	0	0	0	109	K214 Q217 L336 L337 L338 T339 L396	L206-K214 HydrophobicContact CD2-CB 3.95Å; L206-K214 HydrophobicContact CD2-CG 3.93Å; L206-K214 HydrophobicContact CG-CD 4.24Å; L206-K214 HydrophobicContact CG-CG 4.04Å; L206-K214 WeakPolarHBondContact O-CD 3.06Å; L206-Q217 HydrophobicContact CD2-CB 4.14Å; L206-L336 HydrophobicContact CB-CD1 4.15Å; L206-L337 PolarHBondContact N-O 3.48Å; L206-L338 HydrophobicContact CB-CD2 3.76Å; L206-L338 HydrophobicContact CD2-CD2 4.1Å; L206-L338 HydrophobicContact CG-CD2 4.44Å; L206-L338 WeakPolarHBondContact O-CA 3.47Å; L206-T339 PolarHBondContact O-N 2.89Å; L206-L396 HydrophobicContact CD1-CB 4.21Å; L206-L396 HydrophobicContact CD1-CD2 3.96Å; L206-L396 HydrophobicContact CD1-CG 4.25Å
207	A	87.9	Confident	87.2	Confident	2 Å²	2	10.3 Å²	10.3	2%	0.017	5%	0.054	C	C	.	.			trans	-105.2	22.7	-175.8	0	0	0	0	0	113.4	I205 T339 L395 L396 R397	I205-A207 HydrophobicContact CG2-CB 4.27Å; I205-A207 PolarHBondContact O-N 3.41Å; A207-T339 CarbonylContact C-O 3.52Å; A207-T339 VanDerWaalsContact CA-O 3.29Å; A207-T339 WeakPolarHBondContact CA-O 3.24Å; A207-T339 HydrophobicContact CB-CG2 3.77Å; A207-L395 HydrophobicContact CB-CD1 3.56Å; A207-L396 PolarHBondContact N-O 3.21Å; A207-R397 HydrophobicContact CB-CB 4.13Å; A207-R397 HydrophobicContact CB-CG 4.37Å; A207-R397 VanDerWaalsContact O-CG 3.31Å; A207-R397 WeakPolarHBondContact O-CG 3.19Å
208	D	86.8	Confident	87.6	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-50.6	145.3	172.1	-76.2	-17.3	0	0	0	111.4	L212 K214 Q217 R398	D208-L212 HydrophobicContact CB-CB 4.04Å; D208-L212 HydrophobicContact CB-CD1 4.06Å; D208-K214 HydrophobicContact CB-CD 4.19Å; D208-K214 HydrophobicContact CB-CG 3.88Å; D208-K214 PolarHBondContact O-NZ 3.25Å; D208-Q217 PolarHBondContact OD2-NE2 2.99Å; D208-R398 WeakPolarHBondContact OD1-CB 3.32Å; D208-R398 IonicContact OD1-CZ 3.59Å; D208-R398 PolarHBondContact OD1-N 3Å; D208-R398 VanDerWaalsContact OD1-N 3.12Å; D208-R398 IonicContact OD1-NE 2.63Å; D208-R398 PolarHBondContact OD1-NE 2.71Å; D208-R398 IonicContact OD1-NH2 3.79Å; D208-R398 PolarHBondContact OD1-NH2 3.42Å; D208-R398 IonicContact OD2-CZ 3.32Å; D208-R398 IonicContact OD2-NE 3.12Å; D208-R398 PolarHBondContact OD2-NE 3.45Å; D208-R398 IonicContact OD2-NH2 2.72Å; D208-R398 PolarHBondContact OD2-NH2 3.33Å
209	E	79	Confident	87.9	Confident	50 Å²	50	9.6 Å²	9.6	23%	0.234	5%	0.052	C	C	.	.	P	Polyproline II helix	trans	-51.3	146.5	174.9	-164.9	-178	159.2	0	0	111.7	G211 L212 R398 I399 K400	E209-G211 PolarHBondContact O-N 2.91Å; E209-L212 HydrophobicContact CB-CD1 3.94Å; E209-L212 HydrophobicContact CB-CG 4.45Å; E209-L212 PolarHBondContact O-N 3.45Å; E209-R398 PolarHBondContact N-O 3.46Å; E209-I399 WeakPolarHBondContact OE2-CA 3.44Å; E209-I399 WeakPolarHBondContact OE2-CG2 3.18Å; E209-K400 HydrophobicContact CB-CG 4.41Å; E209-K400 HydrophobicContact CG-CG 4.36Å; E209-K400 WeakPolarHBondContact OE2-CG 3.49Å; E209-K400 PolarHBondContact OE2-N 3.33Å
210	M	79	Confident	88.3	Confident	20 Å²	20	8.2 Å²	8.2	10%	0.099	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	128.3	177.5	-68.2	-176.1	70.3	0	0	109.8	K400 Q603 D606	M210-K400 WeakPolarHBondContact O-CE 3.43Å; M210-K400 PolarHBondContact O-NZ 3.46Å; M210-Q603 HydrophobicContact CE-CB 3.76Å; M210-Q603 HydrophobicContact CE-CG 3.72Å; M210-Q603 HydrophobicContact SD-CB 4.07Å; M210-Q603 HydrophobicContact SD-CG 3.49Å; M210-Q603 WeakPolarHBondContact SD-CG 3.48Å; M210-Q603 PolarHBondContact SD-NE2 3.05Å; M210-Q603 VanDerWaalsContact SD-NE2 3.42Å; M210-D606 VanDerWaalsContact CB-OD2 3.29Å; M210-D606 WeakPolarHBondContact CB-OD2 3.42Å
211	G	76.6	Confident	88.8	Confident	4 Å²	4	6.1 Å²	6.1	4%	0.041	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.2	-19.4	-178.3	0	0	0	0	0	116.2	E209 G213 I611	E209-G211 PolarHBondContact O-N 2.91Å; G211-G213 PolarHBondContact O-N 2.64Å; G211-I611 WeakPolarHBondContact O-CD1 3.4Å; G211-I611 VanDerWaalsContact O-CG1 3.32Å; G211-I611 WeakPolarHBondContact O-CG1 3.4Å
212	L	82.9	Confident	89.4	Confident	2 Å²	2	6.1 Å²	6.1	1%	0.01	3%	0.034	C	C	.	.	S	Bend	trans	-77.6	16.5	-178.6	-69.3	178.2	0	0	0	115.6	Y186 D208 E209 Q217 R398 K400 V403 E404	Y186-L212 HydrophobicContact CE2-CB 4.09Å; Y186-L212 HydrophobicContact CE2-CD2 3.92Å; Y186-L212 WeakPolarHBondContact CE2-O 3.46Å; D208-L212 HydrophobicContact CB-CB 4.04Å; D208-L212 HydrophobicContact CB-CD1 4.06Å; E209-L212 HydrophobicContact CB-CD1 3.94Å; E209-L212 HydrophobicContact CB-CG 4.45Å; E209-L212 PolarHBondContact O-N 3.45Å; L212-Q217 PolarHBondContact O-NE2 3.37Å; L212-R398 HydrophobicContact CD1-CB 4.38Å; L212-R398 VanDerWaalsContact CD1-O 3.29Å; L212-R398 WeakPolarHBondContact CD1-O 3.46Å; L212-K400 HydrophobicContact CD1-CG 4.48Å; L212-K400 HydrophobicContact CD2-CG 3.92Å; L212-K400 HydrophobicContact CG-CG 4.05Å; L212-V403 HydrophobicContact CD1-CG2 3.93Å; L212-V403 HydrophobicContact CD2-CG2 3.59Å; L212-V403 HydrophobicContact CG-CG2 4.42Å; L212-E404 HydrophobicContact CD2-CB 4.26Å
213	G	87.2	Confident	89.8	Confident	10 Å²	10	6.1 Å²	6.1	10%	0.103	3%	0.034	C	C	.	.			trans	73	34.7	174.8	0	0	0	0	0	115.4	G211 T215 L216 Q217	G211-G213 PolarHBondContact O-N 2.64Å; G213-T215 VanDerWaalsContact C-N 3.25Å; G213-T215 PolarHBondContact O-N 2.9Å; G213-L216 WeakPolarHBondContact O-CB 3.31Å; G213-L216 PolarHBondContact O-N 2.87Å; G213-L216 VanDerWaalsContact O-N 3.09Å; G213-Q217 WeakPolarHBondContact O-CG 3.34Å; G213-Q217 PolarHBondContact O-N 2.91Å
214	K	90.8	Very high	90	Very high	14 Å²	14	5.8 Å²	5.8	6%	0.061	3%	0.032	C	C	.	.	H	α-helix	trans	-50.8	-44.5	173.1	-67	-168.1	-72.2	-80.6	0	113.1	L206 D208 Q217 T218 L338 T339	L206-K214 HydrophobicContact CD2-CB 3.95Å; L206-K214 HydrophobicContact CD2-CG 3.93Å; L206-K214 HydrophobicContact CG-CD 4.24Å; L206-K214 HydrophobicContact CG-CG 4.04Å; L206-K214 WeakPolarHBondContact O-CD 3.06Å; D208-K214 HydrophobicContact CB-CD 4.19Å; D208-K214 HydrophobicContact CB-CG 3.88Å; D208-K214 PolarHBondContact O-NZ 3.25Å; K214-Q217 PolarHBondContact O-N 3.38Å; K214-T218 WeakPolarHBondContact O-CB 3.34Å; K214-T218 PolarHBondContact O-N 2.84Å; K214-T218 PolarHBondContact O-OG1 3.17Å; K214-L338 HydrophobicContact CD-CB 4.45Å; K214-T339 WeakPolarHBondContact CE-O 3.37Å
215	T	91.6	Very high	90.1	Very high	10 Å²	10	5.8 Å²	5.8	6%	0.061	3%	0.032	C	C	.	.	H	α-helix	trans	-56.4	-51.3	175.3	-49.6	0	0	0	0	110.9	G213 Q217 T218 I219 W247 E250	G213-T215 VanDerWaalsContact C-N 3.25Å; G213-T215 PolarHBondContact O-N 2.9Å; T215-Q217 PolarHBondContact O-N 2.95Å; T215-T218 WeakPolarHBondContact O-CB 3.48Å; T215-T218 PolarHBondContact O-N 2.97Å; T215-I219 HydrophobicContact CG2-CD1 3.83Å; T215-I219 VanDerWaalsContact O-CG1 3.26Å; T215-I219 WeakPolarHBondContact O-CG1 3.46Å; T215-I219 PolarHBondContact O-N 3.17Å; T215-W247 HydrophobicContact CG2-CD2 3.72Å; T215-W247 HydrophobicContact CG2-CE3 3.79Å; T215-W247 HydrophobicContact CG2-CG 4.34Å; T215-W247 HydrophobicContact CG2-CH2 4.09Å; T215-W247 HydrophobicContact CG2-CZ2 3.99Å; T215-W247 HydrophobicContact CG2-CZ3 3.98Å; T215-E250 HydrophobicContact CG2-CB 4.09Å; T215-E250 HydrophobicContact CG2-CG 4.18Å
216	L	92.6	Very high	90.2	Very high	7 Å²	7	7.9 Å²	7.9	4%	0.037	4%	0.041	C	C	.	.	H	α-helix	trans	-61.3	-45.8	178.3	173.9	55.5	0	0	0	112.5	L183 G213 T218 I219 A220 W254	L183-L216 HydrophobicContact CD2-CD1 4.12Å; L183-L216 HydrophobicContact CD2-CD2 3.69Å; L183-L216 HydrophobicContact CD2-CG 3.61Å; G213-L216 WeakPolarHBondContact O-CB 3.31Å; G213-L216 PolarHBondContact O-N 2.87Å; G213-L216 VanDerWaalsContact O-N 3.09Å; L216-T218 PolarHBondContact O-N 2.87Å; L216-I219 PolarHBondContact O-N 3.24Å; L216-A220 VanDerWaalsContact O-CB 3.32Å; L216-A220 WeakPolarHBondContact O-CB 3.37Å; L216-A220 PolarHBondContact O-N 3.05Å; L216-W254 HydrophobicContact CD1-CB 3.78Å; L216-W254 HydrophobicContact CD1-CD2 3.42Å; L216-W254 VanDerWaalsContact CD1-CD2 3.42Å; L216-W254 HydrophobicContact CD1-CE3 3.75Å; L216-W254 HydrophobicContact CD1-CG 3.42Å; L216-W254 VanDerWaalsContact CD1-CG 3.42Å; L216-W254 HydrophobicContact CD1-CZ3 4.46Å; L216-W254 HydrophobicContact CD2-CD2 4.19Å; L216-W254 HydrophobicContact CD2-CE3 4.25Å; L216-W254 HydrophobicContact CD2-CH2 4.02Å; L216-W254 HydrophobicContact CD2-CZ2 3.94Å; L216-W254 HydrophobicContact CD2-CZ3 4.15Å; L216-W254 HydrophobicContact CG-CD2 4.4Å
217	Q	94.5	Very high	90.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.1	-39.1	176.9	-68.7	177.9	67.1	0	0	111.5	Q187 L194 L206 D208 L212 G213 K214 T215 A220 L221	Q187-Q217 HydrophobicContact CB-CG 4.03Å; Q187-Q217 HydrophobicContact CG-CG 4.27Å; L194-Q217 HydrophobicContact CD1-CB 4.34Å; L206-Q217 HydrophobicContact CD2-CB 4.14Å; D208-Q217 PolarHBondContact OD2-NE2 2.99Å; L212-Q217 PolarHBondContact O-NE2 3.37Å; G213-Q217 WeakPolarHBondContact O-CG 3.34Å; G213-Q217 PolarHBondContact O-N 2.91Å; K214-Q217 PolarHBondContact O-N 3.38Å; T215-Q217 PolarHBondContact O-N 2.95Å; Q217-A220 PolarHBondContact O-N 3.04Å; Q217-L221 PolarHBondContact O-N 3.1Å
218	T	95.9	Very high	90.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-69.6	-43.7	177.4	-53	0	0	0	0	112	K214 T215 L216 A220 L221 L222 W247 V309 L336 L338	K214-T218 WeakPolarHBondContact O-CB 3.34Å; K214-T218 PolarHBondContact O-N 2.84Å; K214-T218 PolarHBondContact O-OG1 3.17Å; T215-T218 WeakPolarHBondContact O-CB 3.48Å; T215-T218 PolarHBondContact O-N 2.97Å; L216-T218 PolarHBondContact O-N 2.87Å; T218-A220 VanDerWaalsContact C-N 3.3Å; T218-A220 PolarHBondContact O-N 3.36Å; T218-L221 WeakPolarHBondContact O-CB 3.42Å; T218-L221 PolarHBondContact O-N 3.33Å; T218-L222 WeakPolarHBondContact O-CG 3.33Å; T218-L222 PolarHBondContact O-N 2.97Å; T218-W247 HydrophobicContact CG2-CH2 4.04Å; T218-W247 HydrophobicContact CG2-CZ3 4.32Å; T218-V309 HydrophobicContact CG2-CB 4.43Å; T218-V309 HydrophobicContact CG2-CG1 3.84Å; T218-V309 HydrophobicContact CG2-CG2 3.76Å; T218-L336 HydrophobicContact CG2-CD2 3.82Å; T218-L338 WeakPolarHBondContact OG1-CD2 3.4Å
219	I	95.8	Very high	90.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.8	-40.3	175.5	-67.1	169	0	0	0	110.5	T215 L216 L221 L222 G223 W247 E250 F251 W254 V255	T215-I219 HydrophobicContact CG2-CD1 3.83Å; T215-I219 VanDerWaalsContact O-CG1 3.26Å; T215-I219 WeakPolarHBondContact O-CG1 3.46Å; T215-I219 PolarHBondContact O-N 3.17Å; L216-I219 PolarHBondContact O-N 3.24Å; I219-L221 VanDerWaalsContact C-N 3.31Å; I219-L221 PolarHBondContact O-N 2.95Å; I219-L222 PolarHBondContact O-N 3.05Å; I219-G223 PolarHBondContact O-N 3.15Å; I219-W247 HydrophobicContact CD1-CE3 4.47Å; I219-W247 HydrophobicContact CG1-CE3 4.41Å; I219-W247 HydrophobicContact CG1-CZ3 4.17Å; I219-E250 HydrophobicContact CD1-CB 3.52Å; I219-F251 HydrophobicContact CB-CD1 4.39Å; I219-F251 HydrophobicContact CB-CE1 4.24Å; I219-F251 HydrophobicContact CD1-CD1 4.23Å; I219-F251 HydrophobicContact CD1-CD2 4.42Å; I219-F251 HydrophobicContact CD1-CE1 4.45Å; I219-F251 HydrophobicContact CD1-CG 4.2Å; I219-F251 HydrophobicContact CG1-CD1 3.87Å; I219-F251 HydrophobicContact CG1-CE1 3.67Å; I219-F251 HydrophobicContact CG1-CE2 4.33Å; I219-F251 HydrophobicContact CG1-CG 4.28Å; I219-F251 HydrophobicContact CG1-CZ 3.89Å; I219-F251 HydrophobicContact CG2-CD1 3.78Å; I219-F251 HydrophobicContact CG2-CE1 4Å; I219-W254 HydrophobicContact CG2-CB 4.42Å; I219-V255 HydrophobicContact CG2-CB 3.89Å; I219-V255 HydrophobicContact CG2-CG2 3.62Å
220	A	95.2	Very high	90.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.7	-35	176.9	0	0	0	0	0	112.4	Y177 V178 L183 L191 L216 Q217 T218 G223 Y224	Y177-A220 WeakPolarHBondContact CE2-O 3.43Å; Y177-A220 PolarHBondContact OH-O 3.01Å; V178-A220 HydrophobicContact CG2-CB 4.31Å; L183-A220 HydrophobicContact CD1-CB 4.5Å; L191-A220 HydrophobicContact CD1-CB 4.02Å; L191-A220 HydrophobicContact CD2-CB 4.06Å; L216-A220 VanDerWaalsContact O-CB 3.32Å; L216-A220 WeakPolarHBondContact O-CB 3.37Å; L216-A220 PolarHBondContact O-N 3.05Å; Q217-A220 PolarHBondContact O-N 3.04Å; T218-A220 VanDerWaalsContact C-N 3.3Å; T218-A220 PolarHBondContact O-N 3.36Å; A220-G223 PolarHBondContact O-N 3.34Å; A220-Y224 PolarHBondContact O-N 3.49Å
221	L	95.6	Very high	91.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-47.6	171.1	171.5	70.5	0	0	0	111.3	L191 L194 I195 Q217 T218 I219 G223 Y224 L225 Y307 L336	L191-L221 HydrophobicContact CD1-CB 4.09Å; L194-L221 HydrophobicContact CB-CD1 4.1Å; L194-L221 HydrophobicContact CB-CD2 4.12Å; L194-L221 HydrophobicContact CB-CG 4.48Å; L194-L221 HydrophobicContact CD1-CB 4.29Å; L194-L221 HydrophobicContact CD1-CD2 4.28Å; I195-L221 HydrophobicContact CG1-CD1 4.25Å; Q217-L221 PolarHBondContact O-N 3.1Å; T218-L221 WeakPolarHBondContact O-CB 3.42Å; T218-L221 PolarHBondContact O-N 3.33Å; I219-L221 VanDerWaalsContact C-N 3.31Å; I219-L221 PolarHBondContact O-N 2.95Å; L221-G223 VanDerWaalsContact C-N 3.25Å; L221-G223 PolarHBondContact O-N 2.94Å; L221-Y224 VanDerWaalsContact O-CB 3.3Å; L221-Y224 WeakPolarHBondContact O-CB 3.3Å; L221-Y224 PolarHBondContact O-N 3.12Å; L221-Y224 VanDerWaalsContact O-N 3.07Å; L221-L225 WeakPolarHBondContact O-CG 3.46Å; L221-L225 PolarHBondContact O-N 3.24Å; L221-Y307 HydrophobicContact CD2-CE1 4.28Å; L221-Y307 HydrophobicContact CD2-CE2 3.78Å; L221-L336 HydrophobicContact CD2-CD2 4.48Å
222	L	96.1	Very high	91.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-35.6	177.1	-61.9	-178.8	0	0	0	111.6	T218 I219 L225 K226 H235 V237 F251 L258 V285 Y307	T218-L222 WeakPolarHBondContact O-CG 3.33Å; T218-L222 PolarHBondContact O-N 2.97Å; I219-L222 PolarHBondContact O-N 3.05Å; L222-L225 HydrophobicContact CD2-CD1 4.19Å; L222-L225 PolarHBondContact O-N 3.43Å; L222-K226 PolarHBondContact O-N 3.47Å; L222-K226 VanDerWaalsContact O-N 3.17Å; L222-H235 HydrophobicContact CD2-CB 4.19Å; L222-V237 HydrophobicContact CD1-CG2 4.38Å; L222-F251 HydrophobicContact CD1-CE1 3.97Å; L222-F251 HydrophobicContact CD1-CZ 3.87Å; L222-L258 HydrophobicContact CB-CD1 4.04Å; L222-V285 HydrophobicContact CD1-CG1 4.33Å; L222-V285 HydrophobicContact CD1-CG2 4.15Å; L222-Y307 HydrophobicContact CD2-CG 4.27Å
223	G	94.5	Very high	92.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-40.5	170.9	0	0	0	0	0	112.9	I219 A220 L221 L225 K226 H227	I219-G223 PolarHBondContact O-N 3.15Å; A220-G223 PolarHBondContact O-N 3.34Å; L221-G223 VanDerWaalsContact C-N 3.25Å; L221-G223 PolarHBondContact O-N 2.94Å; G223-L225 VanDerWaalsContact C-N 3.34Å; G223-L225 PolarHBondContact O-N 2.89Å; G223-K226 PolarHBondContact O-N 2.92Å; G223-H227 PolarHBondContact O-CD2 3.27Å; G223-H227 VanDerWaalsContact O-CD2 3.22Å; G223-H227 PolarHBondContact O-N 2.98Å
224	Y	94.4	Very high	92.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.5	-45.6	174.6	168.7	-100.4	0	0	0	111.2	I169 F171 Y177 I195 E199 A220 L221 K226 H227 Y228 R229	I169-Y224 HydrophobicContact CB-CE2 4.17Å; I169-Y224 HydrophobicContact CD1-CE2 4.32Å; I169-Y224 HydrophobicContact CG2-CE2 4.21Å; F171-Y224 AromaticContact CE2-CD2 3.66Å; F171-Y224 HydrophobicContact CE2-CD2 3.66Å; F171-Y224 HydrophobicContact CE2-CE2 4.16Å; F171-Y224 AromaticContact CZ-CD2 3.91Å; F171-Y224 HydrophobicContact CZ-CD2 3.91Å; F171-Y224 HydrophobicContact CZ-CE2 4.4Å; Y177-Y224 WeakPolarHBondContact OH-CA 3.02Å; Y177-Y224 VanDerWaalsContact OH-CB 3.31Å; Y177-Y224 WeakPolarHBondContact OH-CB 3.43Å; Y177-Y224 PolarHBondContact OH-N 3.14Å; I195-Y224 HydrophobicContact CD1-CD1 4.27Å; I195-Y224 HydrophobicContact CD1-CD2 3.87Å; I195-Y224 HydrophobicContact CD1-CE1 4.5Å; I195-Y224 HydrophobicContact CD1-CE2 4.11Å; I195-Y224 HydrophobicContact CD1-CG 3.94Å; I195-Y224 HydrophobicContact CG1-CD1 3.85Å; I195-Y224 HydrophobicContact CG1-CD2 4.36Å; I195-Y224 HydrophobicContact CG1-CE1 4.03Å; I195-Y224 HydrophobicContact CG1-CG 4.02Å; I195-Y224 HydrophobicContact CG2-CE1 3.88Å; I195-Y224 HydrophobicContact CG2-CE2 4.41Å; E199-Y224 PolarHBondContact OE1-OH 2.89Å; E199-Y224 VanDerWaalsContact OE1-OH 3.12Å; A220-Y224 PolarHBondContact O-N 3.49Å; L221-Y224 VanDerWaalsContact O-CB 3.3Å; L221-Y224 WeakPolarHBondContact O-CB 3.3Å; L221-Y224 PolarHBondContact O-N 3.12Å; L221-Y224 VanDerWaalsContact O-N 3.07Å; Y224-K226 VanDerWaalsContact C-N 3.3Å; Y224-K226 PolarHBondContact O-N 3.16Å; Y224-H227 PolarHBondContact O-N 3.27Å; Y224-Y228 AromaticContact CD2-CD2 3.9Å; Y224-Y228 HydrophobicContact CD2-CD2 3.9Å; Y224-Y228 AromaticContact CD2-CG 3.88Å; Y224-Y228 HydrophobicContact CD2-CG 3.88Å; Y224-Y228 HydrophobicContact CE2-CD2 4.39Å; Y224-Y228 AromaticContact CE2-CG 3.91Å; Y224-Y228 HydrophobicContact CE2-CG 3.91Å; Y224-Y228 WeakPolarHBondContact O-CB 3.24Å; Y224-Y228 PolarHBondContact O-N 2.93Å; Y224-R229 HydrophobicContact CD1-CG 4.49Å; Y224-R229 HydrophobicContact CE1-CG 3.79Å; Y224-R229 PolarHBondContact O-N 3.35Å; Y224-R229 PolarHBondContact OH-NE 2.72Å; Y224-R229 VanDerWaalsContact OH-NE 3.12Å; Y224-R229 PolarHBondContact OH-NH2 2.95Å
225	L	93.2	Very high	92.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-58.6	-44	178.5	-62.9	-180	0	0	0	111.7	Y198 L221 L222 G223 R229 N230 I231 Y307	Y198-L225 HydrophobicContact CD1-CD2 3.95Å; Y198-L225 HydrophobicContact CD2-CD2 3.9Å; Y198-L225 HydrophobicContact CE1-CD2 3.57Å; Y198-L225 HydrophobicContact CE2-CD1 4.38Å; Y198-L225 HydrophobicContact CE2-CD2 3.46Å; Y198-L225 VanDerWaalsContact CE2-CD2 3.46Å; Y198-L225 HydrophobicContact CG-CD2 4.1Å; L221-L225 WeakPolarHBondContact O-CG 3.46Å; L221-L225 PolarHBondContact O-N 3.24Å; L222-L225 HydrophobicContact CD2-CD1 4.19Å; L222-L225 PolarHBondContact O-N 3.43Å; G223-L225 VanDerWaalsContact C-N 3.34Å; G223-L225 PolarHBondContact O-N 2.89Å; L225-R229 CarbonylContact O-C 3.49Å; L225-R229 WeakPolarHBondContact O-CA 3.42Å; L225-R229 WeakPolarHBondContact O-CB 3.32Å; L225-R229 PolarHBondContact O-N 2.91Å; L225-N230 PolarHBondContact O-N 3.32Å; L225-N230 VanDerWaalsContact O-N 3.07Å; L225-I231 CarbonylContact C-O 3.21Å; L225-I231 PolarHBondContact O-N 3.04Å; L225-Y307 HydrophobicContact CD1-CD2 3.69Å; L225-Y307 HydrophobicContact CD1-CE2 4.4Å; L225-Y307 HydrophobicContact CD1-CG 4.45Å
226	K	93.7	Very high	93	Very high	46 Å²	46	28.1 Å²	28.1	20%	0.2	14%	0.141	C	C	.	.	H	α-helix	trans	-65.5	-51.1	177.4	179.3	164.3	-176.6	163.3	0	112.9	L222 G223 Y224 N230 I231 P232 S257 L258 D284	L222-K226 PolarHBondContact O-N 3.47Å; L222-K226 VanDerWaalsContact O-N 3.17Å; G223-K226 PolarHBondContact O-N 2.92Å; Y224-K226 VanDerWaalsContact C-N 3.3Å; Y224-K226 PolarHBondContact O-N 3.16Å; K226-N230 WeakPolarHBondContact O-CA 3.3Å; K226-N230 PolarHBondContact O-N 2.82Å; K226-I231 PolarHBondContact N-O 3.12Å; K226-P232 HydrophobicContact CD-CB 4.18Å; K226-P232 HydrophobicContact CG-CB 4.16Å; K226-S257 PolarHBondContact NZ-O 3.15Å; K226-L258 HydrophobicContact CB-CD2 4.1Å; K226-L258 HydrophobicContact CD-CD2 3.64Å; K226-L258 HydrophobicContact CD-CG 4.38Å; K226-D284 IonicContact NZ-OD2 3.65Å; K226-D284 PolarHBondContact NZ-OD2 3.16Å
227	H	92	Very high	93.2	Very high	89 Å²	89	27.8 Å²	27.8	41%	0.412	14%	0.14	S	C	.	.	H	α-helix	trans	-87.1	-32	-167.5	-71.8	-74.2	0	0	0	114.2	Y177 G223 Y224 S257	Y177-H227 WeakPolarHBondContact CB-CD2 3.42Å; Y177-H227 WeakPolarHBondContact CB-NE2 3.49Å; Y177-H227 HydrophobicContact CD1-CB 3.9Å; Y177-H227 AromaticContact CD1-CD2 3.77Å; Y177-H227 AromaticContact CD1-CG 3.99Å; Y177-H227 HydrophobicContact CE1-CB 4.41Å; Y177-H227 AromaticContact CG-CD2 3.49Å; Y177-H227 VanDerWaalsContact CG-CD2 3.49Å; G223-H227 PolarHBondContact O-CD2 3.27Å; G223-H227 VanDerWaalsContact O-CD2 3.22Å; G223-H227 PolarHBondContact O-N 2.98Å; Y224-H227 PolarHBondContact O-N 3.27Å; H227-S257 PolarHBondContact NE2-OG 3.39Å
228	Y	89.4	Confident	93.2	Very high	97 Å²	97	27.8 Å²	27.8	38%	0.38	14%	0.14	S	C	.	.	H	α-helix	trans	-106.7	-30.9	-175.7	-77	-93.8	0	0	0	113.3	I169 F171 Y177 Y224	I169-Y228 HydrophobicContact CD1-CD1 3.71Å; I169-Y228 HydrophobicContact CD1-CE1 4.45Å; I169-Y228 HydrophobicContact CD1-CG 4.45Å; I169-Y228 HydrophobicContact CG2-CD1 4.32Å; I169-Y228 HydrophobicContact CG2-CE1 4.3Å; F171-Y228 HydrophobicContact CE1-CE1 4.47Å; F171-Y228 AromaticContact CE1-CE2 3.94Å; F171-Y228 HydrophobicContact CE1-CE2 3.94Å; F171-Y228 AromaticContact CE1-CZ 3.76Å; F171-Y228 HydrophobicContact CZ-CD2 4.01Å; F171-Y228 HydrophobicContact CZ-CE1 4.35Å; F171-Y228 AromaticContact CZ-CE2 3.62Å; F171-Y228 HydrophobicContact CZ-CE2 3.62Å; F171-Y228 AromaticContact CZ-CZ 3.78Å; Y177-Y228 HydrophobicContact CD1-CD2 4.41Å; Y177-Y228 HydrophobicContact CD1-CE2 4.01Å; Y177-Y228 AromaticContact CE1-CD2 3.87Å; Y177-Y228 HydrophobicContact CE1-CD2 3.87Å; Y177-Y228 AromaticContact CE1-CE2 3.64Å; Y177-Y228 HydrophobicContact CE1-CE2 3.64Å; Y224-Y228 AromaticContact CD2-CD2 3.9Å; Y224-Y228 HydrophobicContact CD2-CD2 3.9Å; Y224-Y228 AromaticContact CD2-CG 3.88Å; Y224-Y228 HydrophobicContact CD2-CG 3.88Å; Y224-Y228 HydrophobicContact CE2-CD2 4.39Å; Y224-Y228 AromaticContact CE2-CG 3.91Å; Y224-Y228 HydrophobicContact CE2-CG 3.91Å; Y224-Y228 WeakPolarHBondContact O-CB 3.24Å; Y224-Y228 PolarHBondContact O-N 2.93Å
229	R	88	Confident	93	Very high	77 Å²	77	27.8 Å²	27.8	29%	0.291	14%	0.14	S	C	.	.	S	Bend	trans	-102.9	-2.1	177.2	-61.8	-61.3	-175	-165.5	-0.2	113.5	Y198 E199 Y224 L225 I231	Y198-R229 HydrophobicContact CE1-CG 4.21Å; E199-R229 IonicContact OE1-CZ 3.78Å; E199-R229 IonicContact OE1-NE 2.82Å; E199-R229 PolarHBondContact OE1-NE 2.94Å; E199-R229 IonicContact OE1-NH2 2.7Å; E199-R229 PolarHBondContact OE1-NH2 2.99Å; E199-R229 IonicContact OE2-CZ 4Å; E199-R229 IonicContact OE2-NH2 2.7Å; E199-R229 PolarHBondContact OE2-NH2 3.4Å; Y224-R229 HydrophobicContact CD1-CG 4.49Å; Y224-R229 HydrophobicContact CE1-CG 3.79Å; Y224-R229 PolarHBondContact O-N 3.35Å; Y224-R229 PolarHBondContact OH-NE 2.72Å; Y224-R229 VanDerWaalsContact OH-NE 3.12Å; Y224-R229 PolarHBondContact OH-NH2 2.95Å; L225-R229 CarbonylContact O-C 3.49Å; L225-R229 WeakPolarHBondContact O-CA 3.42Å; L225-R229 WeakPolarHBondContact O-CB 3.32Å; L225-R229 PolarHBondContact O-N 2.91Å; R229-I231 HydrophobicContact CB-CD1 4.05Å; R229-I231 HydrophobicContact CB-CG1 4.41Å; R229-I231 WeakPolarHBondContact O-CG1 3.32Å; R229-I231 PolarHBondContact O-N 3.06Å
230	N	89.1	Confident	92.4	Very high	141 Å²	141	28.8 Å²	28.8	75%	0.754	15%	0.146	S	C	*	.			trans	53.7	32.5	-177.2	-159.3	32	0	0	0	113.5	L225 K226 P232	L225-N230 PolarHBondContact O-N 3.32Å; L225-N230 VanDerWaalsContact O-N 3.07Å; K226-N230 WeakPolarHBondContact O-CA 3.3Å; K226-N230 PolarHBondContact O-N 2.82Å; N230-P232 VanDerWaalsContact O-CD 3.3Å; N230-P232 WeakPolarHBondContact O-CD 3.41Å
231	I	90.1	Very high	91.6	Very high	30 Å²	30	33 Å²	33	15%	0.154	16%	0.164	C	C	.	.			trans	-113.4	89.6	177.6	-62.6	161.4	0	0	0	107.4	Y198 L225 K226 R229 R306	Y198-I231 WeakPolarHBondContact OH-CD1 3.41Å; L225-I231 CarbonylContact C-O 3.21Å; L225-I231 PolarHBondContact O-N 3.04Å; K226-I231 PolarHBondContact N-O 3.12Å; R229-I231 HydrophobicContact CB-CD1 4.05Å; R229-I231 HydrophobicContact CB-CG1 4.41Å; R229-I231 WeakPolarHBondContact O-CG1 3.32Å; R229-I231 PolarHBondContact O-N 3.06Å; I231-R306 HydrophobicContact CG2-CB 4.06Å; I231-R306 HydrophobicContact CG2-CG 3.79Å
232	P	88	Confident	90.3	Very high	49 Å²	49	34.2 Å²	34.2	32%	0.318	17%	0.173	S	C	.	.			trans	-74.8	-26.2	-179.4	28.6	-34.1	0	0	0	113.2	K226 N230 H235 D284	K226-P232 HydrophobicContact CD-CB 4.18Å; K226-P232 HydrophobicContact CG-CB 4.16Å; N230-P232 VanDerWaalsContact O-CD 3.3Å; N230-P232 WeakPolarHBondContact O-CD 3.41Å; P232-H235 PolarHBondContact O-CD2 2.97Å; P232-H235 PolarHBondContact O-NE2 3.32Å; P232-D284 WeakPolarHBondContact O-CA 3.26Å; P232-D284 WeakPolarHBondContact O-CB 3.39Å
233	G	89.6	Confident	89.5	Confident	18 Å²	18	34.7 Å²	34.7	19%	0.186	18%	0.176	C	C	.	.			trans	170.4	-170.3	-174.6	0	0	0	0	0	113.7	D284 R306	G233-D284 WeakPolarHBondContact CA-O 3.27Å; G233-R306 WeakPolarHBondContact O-CG 3.5Å
234	P	94.5	Very high	88.9	Confident	35 Å²	35	34.9 Å²	34.9	23%	0.227	18%	0.177	C	C	.	.			cis	-79.5	131	-0.3	30.7	-33.6	0	0	0	111.9	W283 W305 R306	P234-W283 HydrophobicContact CB-CH2 3.8Å; P234-W283 HydrophobicContact CB-CZ3 3.74Å; P234-W305 HydrophobicContact CB-CE3 4Å; P234-W305 HydrophobicContact CB-CZ3 3.98Å; P234-W305 HydrophobicContact CG-CE3 4.45Å; P234-R306 PolarHBondContact O-N 3.44Å
235	H	96.1	Very high	88	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144	172.8	-57.9	-58.5	0	0	0	110.8	L222 P232 D284 V285 C286 W305 Y307	L222-H235 HydrophobicContact CD2-CB 4.19Å; P232-H235 PolarHBondContact O-CD2 2.97Å; P232-H235 PolarHBondContact O-NE2 3.32Å; H235-D284 PolarHBondContact N-O 3.2Å; H235-V285 HydrophobicContact CB-CG1 4.35Å; H235-V285 HydrophobicContact CB-CG2 4.2Å; H235-V285 CarbonylContact O-C 3.59Å; H235-V285 WeakPolarHBondContact O-CA 3.22Å; H235-C286 PolarHBondContact O-N 2.8Å; H235-W305 WeakPolarHBondContact O-CZ3 3.36Å; H235-Y307 WeakPolarHBondContact CA-O 3.06Å; H235-Y307 WeakPolarHBondContact ND1-CB 3.48Å; H235-Y307 PolarHBondContact ND1-N 2.67Å
236	M	95.8	Very high	87.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.2	175.9	-170.5	165.2	60.4	0	0	111	L238 C286 F300 W305 Y307 L308 V309 F330	M236-L238 HydrophobicContact CE-CD1 4.24Å; M236-L238 HydrophobicContact CE-CD2 4.07Å; M236-L238 HydrophobicContact CE-CG 4.23Å; M236-L238 HydrophobicContact CG-CD2 3.71Å; M236-L238 HydrophobicContact CG-CG 4.29Å; M236-L238 HydrophobicContact SD-CD2 3.7Å; M236-L238 HydrophobicContact SD-CG 4.45Å; M236-C286 WeakPolarHBondContact CA-O 3.32Å; M236-F300 HydrophobicContact SD-CD1 3.56Å; M236-F300 VanDerWaalsContact SD-CD1 3.56Å; M236-F300 HydrophobicContact SD-CE1 3.89Å; M236-F300 HydrophobicContact SD-CG 4.45Å; M236-W305 HydrophobicContact CB-CD2 3.76Å; M236-W305 HydrophobicContact CB-CE3 3.49Å; M236-W305 VanDerWaalsContact CB-CE3 3.49Å; M236-W305 HydrophobicContact CB-CG 4.44Å; M236-W305 HydrophobicContact CB-CH2 4.12Å; M236-W305 HydrophobicContact CB-CZ2 4.42Å; M236-W305 HydrophobicContact CB-CZ3 3.64Å; M236-W305 HydrophobicContact CG-CH2 4.39Å; M236-W305 HydrophobicContact CG-CZ3 4.37Å; M236-W305 HydrophobicContact SD-CD2 4.48Å; M236-W305 HydrophobicContact SD-CH2 4.25Å; M236-W305 HydrophobicContact SD-CZ2 3.93Å; M236-Y307 PolarHBondContact N-O 3.36Å; M236-L308 HydrophobicContact CE-CD1 3.22Å; M236-L308 HydrophobicContact CE-CG 3.83Å; M236-V309 PolarHBondContact O-N 2.88Å; M236-F330 HydrophobicContact CE-CD2 3.68Å; M236-F330 HydrophobicContact CE-CE2 3.98Å
237	V	96.6	Very high	87.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	113	174.1	-168.7	0	0	0	0	109.1	L222 V239 W247 F251 V285 C286 V287 T288 V309	L222-V237 HydrophobicContact CD1-CG2 4.38Å; V237-V239 HydrophobicContact CG1-CG1 3.52Å; V237-W247 HydrophobicContact CG1-CD2 4.05Å; V237-W247 HydrophobicContact CG1-CE3 3.79Å; V237-W247 HydrophobicContact CG1-CH2 3.84Å; V237-W247 HydrophobicContact CG1-CZ2 4.12Å; V237-W247 HydrophobicContact CG1-CZ3 3.67Å; V237-F251 HydrophobicContact CG2-CE2 4.49Å; V237-F251 HydrophobicContact CG2-CZ 4.25Å; V237-V285 HydrophobicContact CG2-CG1 3.68Å; V237-C286 PolarHBondContact N-O 3.13Å; V237-V287 HydrophobicContact CB-CG1 4.29Å; V237-V287 HydrophobicContact CB-CG2 4.33Å; V237-V287 WeakPolarHBondContact O-CA 3.39Å; V237-T288 PolarHBondContact O-N 2.95Å; V237-V309 WeakPolarHBondContact CA-O 3.4Å; V237-V309 HydrophobicContact CB-CB 4.45Å; V237-V309 HydrophobicContact CG1-CB 4.1Å; V237-V309 HydrophobicContact CG1-CG1 4.13Å; V237-V309 HydrophobicContact CG2-CB 4.29Å
238	L	94.7	Very high	87.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.1	177.8	-56.6	-170.3	0	0	0	109.7	M236 T288 Y290 V293 V309 I310 D311 V327	M236-L238 HydrophobicContact CE-CD1 4.24Å; M236-L238 HydrophobicContact CE-CD2 4.07Å; M236-L238 HydrophobicContact CE-CG 4.23Å; M236-L238 HydrophobicContact CG-CD2 3.71Å; M236-L238 HydrophobicContact CG-CG 4.29Å; M236-L238 HydrophobicContact SD-CD2 3.7Å; M236-L238 HydrophobicContact SD-CG 4.45Å; L238-T288 WeakPolarHBondContact CA-O 3.13Å; L238-T288 HydrophobicContact CD2-CG2 3.45Å; L238-T288 VanDerWaalsContact CD2-CG2 3.45Å; L238-Y290 HydrophobicContact CB-CD1 4.13Å; L238-Y290 HydrophobicContact CB-CE1 3.9Å; L238-V293 HydrophobicContact CD1-CG2 4.23Å; L238-V293 HydrophobicContact CD2-CG2 3.34Å; L238-V293 HydrophobicContact CG-CG2 4.41Å; L238-V309 PolarHBondContact N-O 3.14Å; L238-I310 HydrophobicContact CB-CG1 4.41Å; L238-I310 HydrophobicContact CD1-CD1 4.49Å; L238-I310 HydrophobicContact CD1-CG1 4.29Å; L238-D311 PolarHBondContact O-N 2.93Å; L238-V327 HydrophobicContact CD1-CG2 3.81Å
239	V	90.6	Very high	86.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.1	-172.6	-48.5	0	0	0	0	110.9	V237 K241 T243 L244 W247 V287 T288 S289 D311	V237-V239 HydrophobicContact CG1-CG1 3.52Å; V239-K241 PolarHBondContact O-N 3.4Å; V239-T243 WeakPolarHBondContact CB-OG1 3.26Å; V239-L244 HydrophobicContact CG2-CB 4.31Å; V239-L244 HydrophobicContact CG2-CD2 3.37Å; V239-L244 HydrophobicContact CG2-CG 3.7Å; V239-W247 HydrophobicContact CG1-CD2 4.07Å; V239-W247 HydrophobicContact CG1-CG 4.01Å; V239-W247 HydrophobicContact CG1-CZ2 4.37Å; V239-V287 HydrophobicContact CG1-CG1 4.31Å; V239-V287 HydrophobicContact CG2-CG1 3.99Å; V239-T288 PolarHBondContact N-O 2.99Å; V239-S289 VanDerWaalsContact O-CA 3.32Å; V239-S289 WeakPolarHBondContact O-CA 3.42Å; V239-D311 HydrophobicContact CB-CB 4.18Å; V239-D311 HydrophobicContact CG1-CB 3.86Å
240	P	82.9	Confident	86.9	Confident	21 Å²	21	29.2 Å²	29.2	14%	0.136	16%	0.161	C	C	.	.			trans	-54.5	140.2	168.8	-24.1	32.3	0	0	0	111.1	S242 T243 L244 Y290 E312	P240-S242 PolarHBondContact O-N 2.91Å; P240-T243 HydrophobicContact CB-CG2 4.25Å; P240-T243 WeakPolarHBondContact CD-OG1 3.43Å; P240-T243 HydrophobicContact CG-CG2 4.34Å; P240-T243 PolarHBondContact O-N 3.02Å; P240-T243 PolarHBondContact O-OG1 3.13Å; P240-L244 PolarHBondContact O-N 2.95Å; P240-Y290 HydrophobicContact CB-CE2 4.45Å; P240-Y290 WeakPolarHBondContact CD-OH 3.44Å; P240-Y290 HydrophobicContact CG-CE2 4.04Å; P240-E312 HydrophobicContact CG-CB 3.93Å; P240-E312 HydrophobicContact CG-CG 4Å
241	K	79	Confident	87.1	Confident	87 Å²	87	22.6 Å²	22.6	38%	0.378	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-36	-178.4	-174.5	-175.7	176.8	-165.4	0	112.8	V239 T243 L244	V239-K241 PolarHBondContact O-N 3.4Å; K241-T243 PolarHBondContact O-N 3.37Å; K241-L244 HydrophobicContact CG-CD1 4.23Å; K241-L244 WeakPolarHBondContact O-CD1 3.25Å
242	S	68.7	Low	87.1	Confident	26 Å²	26	28 Å²	28	18%	0.182	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.8	179.6	56.3	0	0	0	0	115.9	P240	P240-S242 PolarHBondContact O-N 2.91Å
243	T	78.3	Confident	87.2	Confident	10 Å²	10	32.1 Å²	32.1	6%	0.061	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-11.5	-175.6	63.3	0	0	0	0	112.9	V239 P240 K241 H245 N246 W247 L579	V239-T243 WeakPolarHBondContact CB-OG1 3.26Å; P240-T243 HydrophobicContact CB-CG2 4.25Å; P240-T243 WeakPolarHBondContact CD-OG1 3.43Å; P240-T243 HydrophobicContact CG-CG2 4.34Å; P240-T243 PolarHBondContact O-N 3.02Å; P240-T243 PolarHBondContact O-OG1 3.13Å; K241-T243 PolarHBondContact O-N 3.37Å; T243-H245 PolarHBondContact O-N 3.4Å; T243-N246 WeakPolarHBondContact O-CB 3.27Å; T243-N246 PolarHBondContact O-N 3.29Å; T243-W247 PolarHBondContact O-N 3.27Å; T243-L579 WeakPolarHBondContact CG2-O 2.93Å
244	L	82.6	Confident	87.3	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-46.2	-50	179.4	-77.3	169.6	0	0	0	112	V239 P240 K241 N246 W247 M248 V264 V287	V239-L244 HydrophobicContact CG2-CB 4.31Å; V239-L244 HydrophobicContact CG2-CD2 3.37Å; V239-L244 HydrophobicContact CG2-CG 3.7Å; P240-L244 PolarHBondContact O-N 2.95Å; K241-L244 HydrophobicContact CG-CD1 4.23Å; K241-L244 WeakPolarHBondContact O-CD1 3.25Å; L244-N246 PolarHBondContact O-N 3.47Å; L244-W247 WeakPolarHBondContact O-CB 3.46Å; L244-W247 PolarHBondContact O-N 3.08Å; L244-M248 WeakPolarHBondContact O-CG 3.36Å; L244-M248 PolarHBondContact O-N 3.38Å; L244-V264 HydrophobicContact CD1-CG2 3.29Å; L244-V287 HydrophobicContact CD2-CG1 3.82Å
245	H	75.9	Confident	87.3	Confident	48 Å²	48	30.9 Å²	30.9	22%	0.222	14%	0.142	C	C	.	.	H	α-helix	trans	-66.9	-41.2	-176.5	-166.2	70.5	0	0	0	112.1	T243 W247 M248 N249 R554	T243-H245 PolarHBondContact O-N 3.4Å; H245-W247 VanDerWaalsContact C-N 3.32Å; H245-W247 PolarHBondContact O-N 3.39Å; H245-M248 PolarHBondContact O-N 2.95Å; H245-N249 PolarHBondContact CD2-ND2 3.46Å; H245-N249 VanDerWaalsContact CD2-ND2 3.32Å; H245-N249 PolarHBondContact NE2-ND2 3.31Å; H245-N249 PolarHBondContact NE2-OD1 3.49Å; H245-N249 PolarHBondContact O-N 3.1Å; H245-R554 PolarHBondContact CD2-NE 3.02Å; H245-R554 PolarHBondContact CE1-NE 3.26Å; H245-R554 PolarHBondContact CE1-NH2 2.98Å; H245-R554 PolarHBondContact NE2-NE 3.23Å; H245-R554 PolarHBondContact NE2-NH2 2.88Å
246	N	80.8	Confident	87.1	Confident	34 Å²	34	34.5 Å²	34.5	18%	0.182	17%	0.166	C	C	.	.	H	α-helix	trans	-59.5	-44.5	174.1	-179	77.7	0	0	0	110.9	T243 L244 M248 N249 E250	T243-N246 WeakPolarHBondContact O-CB 3.27Å; T243-N246 PolarHBondContact O-N 3.29Å; L244-N246 PolarHBondContact O-N 3.47Å; N246-M248 PolarHBondContact O-N 3.44Å; N246-N249 PolarHBondContact O-N 3.01Å; N246-E250 WeakPolarHBondContact O-CB 3.32Å; N246-E250 WeakPolarHBondContact O-CG 3.37Å; N246-E250 PolarHBondContact O-N 3.44Å
247	W	89.9	Confident	86.9	Confident	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-46.4	174.7	-85.3	88.3	0	0	0	112.3	T215 T218 I219 V237 V239 T243 L244 H245 N249 E250 F251 V287 V309 D311 L338	T215-W247 HydrophobicContact CG2-CD2 3.72Å; T215-W247 HydrophobicContact CG2-CE3 3.79Å; T215-W247 HydrophobicContact CG2-CG 4.34Å; T215-W247 HydrophobicContact CG2-CH2 4.09Å; T215-W247 HydrophobicContact CG2-CZ2 3.99Å; T215-W247 HydrophobicContact CG2-CZ3 3.98Å; T218-W247 HydrophobicContact CG2-CH2 4.04Å; T218-W247 HydrophobicContact CG2-CZ3 4.32Å; I219-W247 HydrophobicContact CD1-CE3 4.47Å; I219-W247 HydrophobicContact CG1-CE3 4.41Å; I219-W247 HydrophobicContact CG1-CZ3 4.17Å; V237-W247 HydrophobicContact CG1-CD2 4.05Å; V237-W247 HydrophobicContact CG1-CE3 3.79Å; V237-W247 HydrophobicContact CG1-CH2 3.84Å; V237-W247 HydrophobicContact CG1-CZ2 4.12Å; V237-W247 HydrophobicContact CG1-CZ3 3.67Å; V239-W247 HydrophobicContact CG1-CD2 4.07Å; V239-W247 HydrophobicContact CG1-CG 4.01Å; V239-W247 HydrophobicContact CG1-CZ2 4.37Å; T243-W247 PolarHBondContact O-N 3.27Å; L244-W247 WeakPolarHBondContact O-CB 3.46Å; L244-W247 PolarHBondContact O-N 3.08Å; H245-W247 VanDerWaalsContact C-N 3.32Å; H245-W247 PolarHBondContact O-N 3.39Å; W247-N249 VanDerWaalsContact C-N 3.33Å; W247-N249 PolarHBondContact O-N 3.36Å; W247-E250 PolarHBondContact O-N 3.02Å; W247-F251 HydrophobicContact CE3-CD2 4.42Å; W247-F251 AromaticContact CE3-CE2 3.67Å; W247-F251 HydrophobicContact CE3-CE2 3.67Å; W247-F251 HydrophobicContact CE3-CZ 4.18Å; W247-F251 HydrophobicContact CZ3-CE2 4.27Å; W247-F251 HydrophobicContact CZ3-CZ 4.33Å; W247-F251 WeakPolarHBondContact O-CD2 3.46Å; W247-F251 PolarHBondContact O-N 2.97Å; W247-V287 HydrophobicContact CB-CG1 4.1Å; W247-V309 HydrophobicContact CH2-CG1 4.25Å; W247-D311 HydrophobicContact CZ2-CB 4.06Å; W247-D311 PolarHBondContact NE1-OD2 3.33Å; W247-L338 HydrophobicContact CH2-CD1 3.69Å; W247-L338 HydrophobicContact CZ2-CD1 3.6Å
248	M	87.7	Confident	86.8	Confident	22 Å²	22	37 Å²	37	11%	0.108	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-42.8	176.9	-67.8	-60.3	-71.4	0	0	112.7	L244 H245 N246 F251 K252 V260 C262 V287	L244-M248 WeakPolarHBondContact O-CG 3.36Å; L244-M248 PolarHBondContact O-N 3.38Å; H245-M248 PolarHBondContact O-N 2.95Å; N246-M248 PolarHBondContact O-N 3.44Å; M248-F251 PolarHBondContact O-N 3.48Å; M248-K252 WeakPolarHBondContact O-CG 3.47Å; M248-K252 PolarHBondContact O-N 3.47Å; M248-K252 VanDerWaalsContact O-N 3.07Å; M248-V260 HydrophobicContact CE-CB 4.3Å; M248-V260 HydrophobicContact CE-CG1 4.05Å; M248-V260 HydrophobicContact SD-CB 4.32Å; M248-V260 HydrophobicContact SD-CG1 3.49Å; M248-V260 WeakPolarHBondContact SD-CG1 3.46Å; M248-C262 HydrophobicContact CE-CB 3.92Å; M248-C262 HydrophobicContact CG-CB 4.03Å; M248-C262 HydrophobicContact SD-CB 3.78Å; M248-V287 HydrophobicContact SD-CB 4.28Å; M248-V287 HydrophobicContact SD-CG2 4.02Å
249	N	84.6	Confident	86.7	Confident	53 Å²	53	43.5 Å²	43.5	28%	0.283	21%	0.207	S	C	.	.	H	α-helix	trans	-66.8	-42.4	176.8	-74.6	-12.3	0	0	0	112	H245 N246 W247 F251 K252 R253 R554	H245-N249 PolarHBondContact CD2-ND2 3.46Å; H245-N249 VanDerWaalsContact CD2-ND2 3.32Å; H245-N249 PolarHBondContact NE2-ND2 3.31Å; H245-N249 PolarHBondContact NE2-OD1 3.49Å; H245-N249 PolarHBondContact O-N 3.1Å; N246-N249 PolarHBondContact O-N 3.01Å; W247-N249 VanDerWaalsContact C-N 3.33Å; W247-N249 PolarHBondContact O-N 3.36Å; N249-F251 VanDerWaalsContact C-N 3.32Å; N249-F251 PolarHBondContact O-N 3.09Å; N249-K252 PolarHBondContact O-N 3.04Å; N249-R253 WeakPolarHBondContact O-CB 3.35Å; N249-R253 PolarHBondContact O-N 3.4Å; N249-R554 PolarHBondContact OD1-NH2 2.78Å
250	E	89.5	Confident	86.9	Confident	34 Å²	34	44.9 Å²	44.9	16%	0.159	22%	0.216	C	C	.	.	H	α-helix	trans	-64.7	-38.1	178.4	-68.6	-73.7	126.1	0	0	110.9	T215 I219 N246 W247 R253 W254	T215-E250 HydrophobicContact CG2-CB 4.09Å; T215-E250 HydrophobicContact CG2-CG 4.18Å; I219-E250 HydrophobicContact CD1-CB 3.52Å; N246-E250 WeakPolarHBondContact O-CB 3.32Å; N246-E250 WeakPolarHBondContact O-CG 3.37Å; N246-E250 PolarHBondContact O-N 3.44Å; W247-E250 PolarHBondContact O-N 3.02Å; E250-R253 PolarHBondContact O-N 3.39Å; E250-W254 WeakPolarHBondContact O-CB 3.12Å; E250-W254 PolarHBondContact O-N 2.87Å; E250-W254 PolarHBondContact OE2-NE1 3.15Å
251	F	93.7	Very high	87.3	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-52	171.6	-83.9	-68.9	0	0	0	111.8	I219 L222 V237 W247 M248 N249 R253 V255 L258 V260 V285 V287	I219-F251 HydrophobicContact CB-CD1 4.39Å; I219-F251 HydrophobicContact CB-CE1 4.24Å; I219-F251 HydrophobicContact CD1-CD1 4.23Å; I219-F251 HydrophobicContact CD1-CD2 4.42Å; I219-F251 HydrophobicContact CD1-CE1 4.45Å; I219-F251 HydrophobicContact CD1-CG 4.2Å; I219-F251 HydrophobicContact CG1-CD1 3.87Å; I219-F251 HydrophobicContact CG1-CE1 3.67Å; I219-F251 HydrophobicContact CG1-CE2 4.33Å; I219-F251 HydrophobicContact CG1-CG 4.28Å; I219-F251 HydrophobicContact CG1-CZ 3.89Å; I219-F251 HydrophobicContact CG2-CD1 3.78Å; I219-F251 HydrophobicContact CG2-CE1 4Å; L222-F251 HydrophobicContact CD1-CE1 3.97Å; L222-F251 HydrophobicContact CD1-CZ 3.87Å; V237-F251 HydrophobicContact CG2-CE2 4.49Å; V237-F251 HydrophobicContact CG2-CZ 4.25Å; W247-F251 HydrophobicContact CE3-CD2 4.42Å; W247-F251 AromaticContact CE3-CE2 3.67Å; W247-F251 HydrophobicContact CE3-CE2 3.67Å; W247-F251 HydrophobicContact CE3-CZ 4.18Å; W247-F251 HydrophobicContact CZ3-CE2 4.27Å; W247-F251 HydrophobicContact CZ3-CZ 4.33Å; W247-F251 WeakPolarHBondContact O-CD2 3.46Å; W247-F251 PolarHBondContact O-N 2.97Å; M248-F251 PolarHBondContact O-N 3.48Å; N249-F251 VanDerWaalsContact C-N 3.32Å; N249-F251 PolarHBondContact O-N 3.09Å; F251-R253 VanDerWaalsContact C-N 3.27Å; F251-R253 PolarHBondContact O-N 2.92Å; F251-V255 CarbonylContact O-C 3.47Å; F251-V255 PolarHBondContact O-N 3.4Å; F251-L258 HydrophobicContact CD1-CD1 4.13Å; F251-L258 HydrophobicContact CE1-CD1 4.05Å; F251-V260 HydrophobicContact CB-CB 4.42Å; F251-V260 HydrophobicContact CB-CG2 3.74Å; F251-V260 HydrophobicContact CD1-CG2 3.73Å; F251-V260 HydrophobicContact CD2-CG1 3.86Å; F251-V260 HydrophobicContact CD2-CG2 4.07Å; F251-V260 HydrophobicContact CE1-CG2 4.32Å; F251-V260 HydrophobicContact CE2-CG1 4.22Å; F251-V260 HydrophobicContact CG-CB 4.42Å; F251-V260 HydrophobicContact CG-CG1 4.25Å; F251-V260 HydrophobicContact CG-CG2 3.61Å; F251-V285 HydrophobicContact CE1-CG1 4.38Å; F251-V285 HydrophobicContact CE1-CG2 4.23Å; F251-V285 HydrophobicContact CE2-CG1 4.21Å; F251-V285 HydrophobicContact CZ-CB 4.48Å; F251-V285 HydrophobicContact CZ-CG1 3.79Å; F251-V285 HydrophobicContact CZ-CG2 4.44Å; F251-V287 HydrophobicContact CD2-CG2 4.24Å; F251-V287 HydrophobicContact CE2-CG2 3.79Å
252	K	90.2	Very high	87.8	Confident	144 Å²	144	42.8 Å²	42.8	63%	0.626	21%	0.21	S	C	*	.	H	α-helix	trans	-58.2	-38.9	178	-73	178	-179.6	-175.7	0	112.3	M248 N249 P256	M248-K252 WeakPolarHBondContact O-CG 3.47Å; M248-K252 PolarHBondContact O-N 3.47Å; M248-K252 VanDerWaalsContact O-N 3.07Å; N249-K252 PolarHBondContact O-N 3.04Å; K252-P256 WeakPolarHBondContact O-CB 3.41Å
253	R	88.5	Confident	88.8	Confident	135 Å²	135	41.6 Å²	41.6	51%	0.509	20%	0.201	S	C	.	.	H	α-helix	trans	-74.7	-49.1	-177.7	179.3	179.9	178.1	174.9	3.4	112.6	G180 N249 E250 F251	G180-R253 WeakPolarHBondContact CA-O 3.31Å; G180-R253 PolarHBondContact N-O 3.45Å; N249-R253 WeakPolarHBondContact O-CB 3.35Å; N249-R253 PolarHBondContact O-N 3.4Å; E250-R253 PolarHBondContact O-N 3.39Å; F251-R253 VanDerWaalsContact C-N 3.27Å; F251-R253 PolarHBondContact O-N 2.92Å
254	W	92.4	Very high	89.1	Confident	27 Å²	27	42.6 Å²	42.6	10%	0.102	21%	0.207	C	C	.	.	H	α-helix	trans	-93	-42.3	-167.5	-65.6	110	0	0	0	112.8	V178 K179 G180 G181 L216 I219 E250	V178-W254 CarbonylContact C-O 3.6Å; V178-W254 VanDerWaalsContact CA-O 3.3Å; V178-W254 WeakPolarHBondContact CA-O 3.45Å; V178-W254 HydrophobicContact CG1-CE3 3.77Å; V178-W254 HydrophobicContact CG1-CZ3 4.43Å; K179-W254 PolarHBondContact N-O 2.93Å; G180-W254 VanDerWaalsContact CA-CE3 3.42Å; G180-W254 WeakPolarHBondContact O-CH2 3.46Å; G180-W254 WeakPolarHBondContact O-CZ3 3.31Å; G181-W254 WeakPolarHBondContact O-CZ3 3.27Å; L216-W254 HydrophobicContact CD1-CB 3.78Å; L216-W254 HydrophobicContact CD1-CD2 3.42Å; L216-W254 VanDerWaalsContact CD1-CD2 3.42Å; L216-W254 HydrophobicContact CD1-CE3 3.75Å; L216-W254 HydrophobicContact CD1-CG 3.42Å; L216-W254 VanDerWaalsContact CD1-CG 3.42Å; L216-W254 HydrophobicContact CD1-CZ3 4.46Å; L216-W254 HydrophobicContact CD2-CD2 4.19Å; L216-W254 HydrophobicContact CD2-CE3 4.25Å; L216-W254 HydrophobicContact CD2-CH2 4.02Å; L216-W254 HydrophobicContact CD2-CZ2 3.94Å; L216-W254 HydrophobicContact CD2-CZ3 4.15Å; L216-W254 HydrophobicContact CG-CD2 4.4Å; I219-W254 HydrophobicContact CG2-CB 4.42Å; E250-W254 WeakPolarHBondContact O-CB 3.12Å; E250-W254 PolarHBondContact O-N 2.87Å; E250-W254 PolarHBondContact OE2-NE1 3.15Å
255	V	94.3	Very high	89	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.			trans	-135.2	70.3	-177.9	-172.5	0	0	0	0	109.1	Y177 V178 I219 F251 S257 L258	Y177-V255 HydrophobicContact CD2-CG1 4.27Å; Y177-V255 HydrophobicContact CD2-CG2 4.12Å; V178-V255 HydrophobicContact CG2-CG2 4.33Å; I219-V255 HydrophobicContact CG2-CB 3.89Å; I219-V255 HydrophobicContact CG2-CG2 3.62Å; F251-V255 CarbonylContact O-C 3.47Å; F251-V255 PolarHBondContact O-N 3.4Å; V255-S257 VanDerWaalsContact CG1-OG 3.31Å; V255-S257 WeakPolarHBondContact CG1-OG 3.36Å; V255-S257 PolarHBondContact O-N 3.24Å; V255-L258 HydrophobicContact CB-CD1 4.1Å; V255-L258 HydrophobicContact CG1-CB 4.47Å; V255-L258 HydrophobicContact CG1-CD1 3.68Å; V255-L258 HydrophobicContact CG1-CG 3.81Å; V255-L258 PolarHBondContact O-N 3.44Å; V255-L258 VanDerWaalsContact O-N 3.08Å
256	P	92.5	Very high	89.2	Confident	76 Å²	76	44.5 Å²	44.5	49%	0.494	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.8	-178.4	25.3	-34.7	0	0	0	113.3	K179 K252 L258	K179-P256 HydrophobicContact CG-CG 4.29Å; K252-P256 WeakPolarHBondContact O-CB 3.41Å; P256-L258 PolarHBondContact O-N 3.33Å
257	S	92.3	Very high	89.3	Confident	44 Å²	44	50.4 Å²	50.4	31%	0.308	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.3	174.6	58.8	0	0	0	0	113.2	K226 H227 V255	K226-S257 PolarHBondContact NZ-O 3.15Å; H227-S257 PolarHBondContact NE2-OG 3.39Å; V255-S257 VanDerWaalsContact CG1-OG 3.31Å; V255-S257 WeakPolarHBondContact CG1-OG 3.36Å; V255-S257 PolarHBondContact O-N 3.24Å
258	L	93.4	Very high	88.9	Confident	9 Å²	9	56.1 Å²	56.1	5%	0.047	28%	0.278	C	S	.	.	S	Bend	trans	-81	125.9	177.8	-74.5	166.5	0	0	0	110	L222 K226 F251 V255 P256 V260 D284 V285	L222-L258 HydrophobicContact CB-CD1 4.04Å; K226-L258 HydrophobicContact CB-CD2 4.1Å; K226-L258 HydrophobicContact CD-CD2 3.64Å; K226-L258 HydrophobicContact CD-CG 4.38Å; F251-L258 HydrophobicContact CD1-CD1 4.13Å; F251-L258 HydrophobicContact CE1-CD1 4.05Å; V255-L258 HydrophobicContact CB-CD1 4.1Å; V255-L258 HydrophobicContact CG1-CB 4.47Å; V255-L258 HydrophobicContact CG1-CD1 3.68Å; V255-L258 HydrophobicContact CG1-CG 3.81Å; V255-L258 PolarHBondContact O-N 3.44Å; V255-L258 VanDerWaalsContact O-N 3.08Å; P256-L258 PolarHBondContact O-N 3.33Å; L258-V260 HydrophobicContact CB-CG2 4.09Å; L258-V260 PolarHBondContact O-N 3.19Å; L258-D284 WeakPolarHBondContact CA-OD2 3.32Å; L258-D284 HydrophobicContact CD2-CB 3.99Å; L258-V285 HydrophobicContact CD2-CG2 4.31Å
259	R	93.6	Very high	88.6	Confident	136 Å²	136	57.3 Å²	57.3	51%	0.513	29%	0.291	S	S	.	.			trans	-80.4	108.2	172.8	-68.5	-178.8	-64	-170.7	4.3	109.3	E282 D284 V285	R259-E282 VanDerWaalsContact CZ-O 3.25Å; R259-E282 PolarHBondContact NE-O 3.17Å; R259-D284 HydrophobicContact CB-CB 4.46Å; R259-D284 PolarHBondContact N-OD2 3.4Å; R259-D284 IonicContact NE-OD1 3.61Å; R259-D284 IonicContact NH2-OD1 3.52Å; R259-D284 WeakPolarHBondContact O-CA 3.35Å; R259-D284 WeakPolarHBondContact O-CB 3.17Å; R259-D284 PolarHBondContact O-N 2.74Å; R259-V285 PolarHBondContact O-N 2.94Å; R259-V285 VanDerWaalsContact O-N 3.12Å
260	V	93.7	Very high	88.7	Confident	30 Å²	30	55.7 Å²	55.7	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.5	-174	-170.9	0	0	0	0	110.2	M248 F251 L258 V285 V287	M248-V260 HydrophobicContact CE-CB 4.3Å; M248-V260 HydrophobicContact CE-CG1 4.05Å; M248-V260 HydrophobicContact SD-CB 4.32Å; M248-V260 HydrophobicContact SD-CG1 3.49Å; M248-V260 WeakPolarHBondContact SD-CG1 3.46Å; F251-V260 HydrophobicContact CB-CB 4.42Å; F251-V260 HydrophobicContact CB-CG2 3.74Å; F251-V260 HydrophobicContact CD1-CG2 3.73Å; F251-V260 HydrophobicContact CD2-CG1 3.86Å; F251-V260 HydrophobicContact CD2-CG2 4.07Å; F251-V260 HydrophobicContact CE1-CG2 4.32Å; F251-V260 HydrophobicContact CE2-CG1 4.22Å; F251-V260 HydrophobicContact CG-CB 4.42Å; F251-V260 HydrophobicContact CG-CG1 4.25Å; F251-V260 HydrophobicContact CG-CG2 3.61Å; L258-V260 HydrophobicContact CB-CG2 4.09Å; L258-V260 PolarHBondContact O-N 3.19Å; V260-V285 WeakPolarHBondContact CA-O 3.17Å; V260-V285 HydrophobicContact CB-CB 4.49Å; V260-V285 HydrophobicContact CG1-CB 4.14Å; V260-V285 HydrophobicContact CG1-CG1 4.37Å; V260-V285 HydrophobicContact CG2-CB 4.07Å; V260-V285 HydrophobicContact CG2-CG2 4.36Å; V260-V287 HydrophobicContact CG1-CG2 3.51Å
261	I	91.8	Very high	88.6	Confident	19 Å²	19	56.6 Å²	56.6	10%	0.097	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.8	174.3	59.7	160.9	0	0	0	110.5	F273 W283 V285 C286 V287	I261-F273 HydrophobicContact CB-CZ 4.1Å; I261-F273 HydrophobicContact CD1-CE1 4.09Å; I261-F273 HydrophobicContact CD1-CZ 4.33Å; I261-W283 HydrophobicContact CD1-CB 4.34Å; I261-W283 HydrophobicContact CD1-CD2 3.44Å; I261-W283 VanDerWaalsContact CD1-CD2 3.44Å; I261-W283 VanDerWaalsContact CD1-CE2 3.48Å; I261-W283 HydrophobicContact CD1-CE3 4.07Å; I261-W283 HydrophobicContact CD1-CG 3.54Å; I261-W283 HydrophobicContact CD1-CZ2 4.14Å; I261-W283 HydrophobicContact CG1-CB 4.12Å; I261-W283 HydrophobicContact CG1-CD2 3.82Å; I261-W283 HydrophobicContact CG1-CE3 4.11Å; I261-W283 HydrophobicContact CG1-CG 3.81Å; I261-W283 HydrophobicContact CG2-CB 3.7Å; I261-W283 HydrophobicContact CG2-CG 4.03Å; I261-V285 WeakPolarHBondContact CG1-O 3.45Å; I261-V285 PolarHBondContact N-O 3.15Å; I261-C286 HydrophobicContact CD1-CB 4.14Å; I261-C286 HydrophobicContact CG1-CB 4.02Å; I261-V287 PolarHBondContact O-N 2.88Å
262	C	90.2	Very high	88.3	Confident	44 Å²	44	58.1 Å²	58.1	30%	0.297	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.5	178.3	-178.7	0	0	0	0	109.9	M248 V264 V287	M248-C262 HydrophobicContact CE-CB 3.92Å; M248-C262 HydrophobicContact CG-CB 4.03Å; M248-C262 HydrophobicContact SD-CB 3.78Å; C262-V264 PolarHBondContact O-N 3Å; C262-V287 CarbonylContact C-O 3.6Å; C262-V287 WeakPolarHBondContact CA-O 3.42Å
263	F	89.7	Confident	88.1	Confident	1 Å²	1	53.3 Å²	53.3	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	95.8	-179.2	-175.2	-112.2	0	0	0	111.8	R270 F273 I274 V287 T288 M292 E296 F300	F263-R270 HydrophobicContact CE2-CB 4.13Å; F263-R270 HydrophobicContact CE2-CG 4.02Å; F263-R270 HydrophobicContact CZ-CB 3.98Å; F263-R270 HydrophobicContact CZ-CG 3.84Å; F263-F273 HydrophobicContact CB-CE1 4.45Å; F263-F273 AromaticContact CD2-CD1 3.44Å; F263-F273 HydrophobicContact CD2-CD1 3.44Å; F263-F273 VanDerWaalsContact CD2-CD1 3.44Å; F263-F273 AromaticContact CD2-CE1 3.84Å; F263-F273 HydrophobicContact CD2-CE1 3.84Å; F263-F273 HydrophobicContact CD2-CG 4.21Å; F263-F273 HydrophobicContact CE2-CB 4.47Å; F263-F273 AromaticContact CE2-CD1 3.92Å; F263-F273 HydrophobicContact CE2-CD1 3.92Å; F263-F273 HydrophobicContact CE2-CG 4.5Å; F263-I274 HydrophobicContact CE2-CD1 4.17Å; F263-I274 HydrophobicContact CE2-CG1 3.69Å; F263-I274 HydrophobicContact CZ-CD1 3.82Å; F263-I274 HydrophobicContact CZ-CG1 3.81Å; F263-V287 PolarHBondContact N-O 3.39Å; F263-T288 PolarHBondContact O-OG1 3.37Å; F263-M292 HydrophobicContact CD1-CB 4.42Å; F263-M292 HydrophobicContact CD1-CG 3.5Å; F263-M292 VanDerWaalsContact CD1-CG 3.5Å; F263-M292 HydrophobicContact CE1-CG 3.42Å; F263-M292 VanDerWaalsContact CE1-CG 3.42Å; F263-M292 HydrophobicContact CE1-SD 4.36Å; F263-M292 HydrophobicContact CZ-CG 4.41Å; F263-E296 HydrophobicContact CE1-CB 4.05Å; F263-E296 HydrophobicContact CE1-CG 3.86Å; F263-E296 HydrophobicContact CZ-CB 4.41Å; F263-E296 HydrophobicContact CZ-CG 3.94Å; F263-F300 AromaticContact CD1-CE2 3.88Å; F263-F300 HydrophobicContact CD1-CE2 3.88Å; F263-F300 AromaticContact CD1-CZ 3.52Å; F263-F300 HydrophobicContact CD1-CZ 3.52Å; F263-F300 AromaticContact CE1-CE2 3.87Å; F263-F300 HydrophobicContact CE1-CE2 3.87Å; F263-F300 AromaticContact CE1-CZ 3.99Å; F263-F300 HydrophobicContact CE1-CZ 3.99Å; F263-F300 HydrophobicContact CG-CZ 4.31Å
264	V	83.7	Confident	88.2	Confident	31 Å²	31	48.1 Å²	48.1	19%	0.188	27%	0.268	C	S	.	.			trans	-147.5	148.3	169.2	-178.2	0	0	0	0	109.5	L244 C262 M292 L546	L244-V264 HydrophobicContact CD1-CG2 3.29Å; C262-V264 PolarHBondContact O-N 3Å; V264-M292 HydrophobicContact CG1-CE 4.18Å; V264-L546 HydrophobicContact CB-CD2 4.1Å; V264-L546 HydrophobicContact CG1-CD2 3.39Å
265	G	80.4	Confident	87.9	Confident	15 Å²	15	54 Å²	54	16%	0.155	29%	0.29	C	S	.	.			trans	170.6	180	172.2	0	0	0	0	0	111.6	R270 M292	G265-R270 WeakPolarHBondContact O-CD 3.32Å; G265-M292 WeakPolarHBondContact O-CE 3.35Å
266	D	80.4	Confident	87.6	Confident	78 Å²	78	58.4 Å²	58.4	42%	0.417	31%	0.314	S	S	.	.			trans	-74.1	-171.9	164.1	61.4	29.9	0	0	0	111	D268 A269 R270	D266-D268 PolarHBondContact O-N 3.38Å; D266-D268 PolarHBondContact OD1-N 2.93Å; D266-D268 VanDerWaalsContact OD1-N 3.17Å; D266-A269 WeakPolarHBondContact OD1-CB 3.5Å; D266-A269 PolarHBondContact OD1-N 2.87Å; D266-R270 WeakPolarHBondContact O-CB 3.48Å; D266-R270 VanDerWaalsContact O-CD 3.27Å; D266-R270 WeakPolarHBondContact O-CD 3.46Å; D266-R270 WeakPolarHBondContact O-CG 3.46Å; D266-R270 PolarHBondContact O-N 3.39Å; D266-R270 VanDerWaalsContact O-N 3.16Å; D266-R270 PolarHBondContact O-NE 3.21Å
267	K	82.3	Confident	87.3	Confident	157 Å²	157	59.4 Å²	59.4	68%	0.683	31%	0.312	S	S	*	.	H	α-helix	trans	-65.4	-41.2	-174.4	-169.1	-177.9	175.8	-168.9	0	112.7	A271	K267-A271 PolarHBondContact O-N 3.46Å; K267-A271 VanDerWaalsContact O-N 3.1Å
268	D	82.4	Confident	87	Confident	122 Å²	122	57.3 Å²	57.3	65%	0.652	30%	0.297	S	S	*	.	H	α-helix	trans	-82.3	-42.8	-171.1	-60.1	-37.1	0	0	0	110.9	D266 R270 A271 A272	D266-D268 PolarHBondContact O-N 3.38Å; D266-D268 PolarHBondContact OD1-N 2.93Å; D266-D268 VanDerWaalsContact OD1-N 3.17Å; D268-R270 VanDerWaalsContact C-N 3.25Å; D268-R270 PolarHBondContact O-N 3.02Å; D268-A271 PolarHBondContact O-N 3.49Å; D268-A271 VanDerWaalsContact O-N 3.13Å; D268-A272 PolarHBondContact O-N 3.19Å
269	A	80.9	Confident	86.7	Confident	46 Å²	46	61.2 Å²	61.2	38%	0.38	32%	0.316	S	S	.	.	H	α-helix	trans	-58.5	-39.1	171.5	0	0	0	0	0	111.4	D266 F273	D266-A269 WeakPolarHBondContact OD1-CB 3.5Å; D266-A269 PolarHBondContact OD1-N 2.87Å; A269-F273 WeakPolarHBondContact O-CB 3.43Å; A269-F273 PolarHBondContact O-N 3.3Å
270	R	87.4	Confident	86.4	Confident	20 Å²	20	58.1 Å²	58.1	8%	0.075	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-43.3	175.3	-73.7	176.7	-49.4	139.9	17	112.4	F263 G265 D266 D268 A272 F273 I274 M292 E296	F263-R270 HydrophobicContact CE2-CB 4.13Å; F263-R270 HydrophobicContact CE2-CG 4.02Å; F263-R270 HydrophobicContact CZ-CB 3.98Å; F263-R270 HydrophobicContact CZ-CG 3.84Å; G265-R270 WeakPolarHBondContact O-CD 3.32Å; D266-R270 WeakPolarHBondContact O-CB 3.48Å; D266-R270 VanDerWaalsContact O-CD 3.27Å; D266-R270 WeakPolarHBondContact O-CD 3.46Å; D266-R270 WeakPolarHBondContact O-CG 3.46Å; D266-R270 PolarHBondContact O-N 3.39Å; D266-R270 VanDerWaalsContact O-N 3.16Å; D266-R270 PolarHBondContact O-NE 3.21Å; D268-R270 VanDerWaalsContact C-N 3.25Å; D268-R270 PolarHBondContact O-N 3.02Å; R270-A272 VanDerWaalsContact C-N 3.32Å; R270-A272 PolarHBondContact O-N 3.44Å; R270-F273 PolarHBondContact O-N 3.46Å; R270-I274 WeakPolarHBondContact O-CB 3.49Å; R270-I274 WeakPolarHBondContact O-CD1 3.46Å; R270-I274 WeakPolarHBondContact O-CG1 3.5Å; R270-I274 PolarHBondContact O-N 2.98Å; R270-M292 WeakPolarHBondContact CD-SD 3.28Å; R270-M292 HydrophobicContact CG-SD 4.36Å; R270-M292 PolarHBondContact NH1-SD 2.75Å; R270-E296 IonicContact CZ-OE1 3.56Å; R270-E296 IonicContact NE-OE1 2.65Å; R270-E296 VanDerWaalsContact NH1-CG 3.31Å; R270-E296 IonicContact NH1-OE1 2.89Å; R270-E296 PolarHBondContact NH1-OE1 3.49Å; R270-E296 IonicContact NH2-OE1 3.75Å; R270-E296 PolarHBondContact NH2-OE1 3.05Å
271	A	87.6	Confident	85.8	Confident	53 Å²	53	58.5 Å²	58.5	44%	0.438	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-42.4	179.4	0	0	0	0	0	111.3	K267 D268 R275	K267-A271 PolarHBondContact O-N 3.46Å; K267-A271 VanDerWaalsContact O-N 3.1Å; D268-A271 PolarHBondContact O-N 3.49Å; D268-A271 VanDerWaalsContact O-N 3.13Å; A271-R275 PolarHBondContact O-N 2.88Å
272	A	86.4	Confident	85.6	Confident	33 Å²	33	64.6 Å²	64.6	27%	0.273	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-51.5	173.3	0	0	0	0	0	111.5	D268 R270 I274 R275 D276	D268-A272 PolarHBondContact O-N 3.19Å; R270-A272 VanDerWaalsContact C-N 3.32Å; R270-A272 PolarHBondContact O-N 3.44Å; A272-I274 VanDerWaalsContact C-N 3.33Å; A272-I274 PolarHBondContact O-N 3.33Å; A272-R275 PolarHBondContact O-N 3.5Å; A272-R275 VanDerWaalsContact O-N 3.11Å; A272-D276 WeakPolarHBondContact O-CB 3.28Å; A272-D276 VanDerWaalsContact O-CG 3.27Å; A272-D276 PolarHBondContact O-N 2.78Å
273	F	86.8	Confident	85.8	Confident	44 Å²	44	63.1 Å²	63.1	19%	0.193	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-41.3	-179.9	-168.7	-80.1	0	0	0	113.1	I261 F263 A269 R270 R275 E277 M278	I261-F273 HydrophobicContact CB-CZ 4.1Å; I261-F273 HydrophobicContact CD1-CE1 4.09Å; I261-F273 HydrophobicContact CD1-CZ 4.33Å; F263-F273 HydrophobicContact CB-CE1 4.45Å; F263-F273 AromaticContact CD2-CD1 3.44Å; F263-F273 HydrophobicContact CD2-CD1 3.44Å; F263-F273 VanDerWaalsContact CD2-CD1 3.44Å; F263-F273 AromaticContact CD2-CE1 3.84Å; F263-F273 HydrophobicContact CD2-CE1 3.84Å; F263-F273 HydrophobicContact CD2-CG 4.21Å; F263-F273 HydrophobicContact CE2-CB 4.47Å; F263-F273 AromaticContact CE2-CD1 3.92Å; F263-F273 HydrophobicContact CE2-CD1 3.92Å; F263-F273 HydrophobicContact CE2-CG 4.5Å; A269-F273 WeakPolarHBondContact O-CB 3.43Å; A269-F273 PolarHBondContact O-N 3.3Å; R270-F273 PolarHBondContact O-N 3.46Å; F273-R275 VanDerWaalsContact C-N 3.32Å; F273-R275 PolarHBondContact O-N 3.22Å; F273-E277 HydrophobicContact CD1-CB 4.34Å; F273-E277 HydrophobicContact CD2-CB 4.41Å; F273-E277 HydrophobicContact CD2-CG 4.45Å; F273-E277 HydrophobicContact CE1-CB 4.06Å; F273-E277 HydrophobicContact CE2-CB 4.13Å; F273-E277 HydrophobicContact CE2-CG 4.22Å; F273-E277 WeakPolarHBondContact CE2-OE2 3.33Å; F273-E277 HydrophobicContact CZ-CB 3.94Å; F273-E277 HydrophobicContact CZ-CG 4.49Å; F273-E277 VanDerWaalsContact CZ-OE2 3.23Å; F273-E277 WeakPolarHBondContact CZ-OE2 3.17Å; F273-E277 PolarHBondContact O-N 3.47Å; F273-M278 HydrophobicContact CD1-CB 4.36Å; F273-M278 HydrophobicContact CE1-CB 4.4Å; F273-M278 PolarHBondContact O-N 3.5Å
274	I	89.3	Confident	86	Confident	25 Å²	25	63.2 Å²	63.2	13%	0.128	34%	0.341	C	S	.	.	I	π-helix	trans	-59.9	-47	177.4	-72.3	159.2	0	0	0	109.9	F263 R270 A272 M278 M279 V299	F263-I274 HydrophobicContact CE2-CD1 4.17Å; F263-I274 HydrophobicContact CE2-CG1 3.69Å; F263-I274 HydrophobicContact CZ-CD1 3.82Å; F263-I274 HydrophobicContact CZ-CG1 3.81Å; R270-I274 WeakPolarHBondContact O-CB 3.49Å; R270-I274 WeakPolarHBondContact O-CD1 3.46Å; R270-I274 WeakPolarHBondContact O-CG1 3.5Å; R270-I274 PolarHBondContact O-N 2.98Å; A272-I274 VanDerWaalsContact C-N 3.33Å; A272-I274 PolarHBondContact O-N 3.33Å; I274-M278 HydrophobicContact CG1-SD 4.24Å; I274-M279 HydrophobicContact CG2-CG 4Å; I274-M279 VanDerWaalsContact O-CB 3.3Å; I274-M279 WeakPolarHBondContact O-CB 3.43Å; I274-M279 WeakPolarHBondContact O-CG 3.47Å; I274-M279 PolarHBondContact O-N 3.28Å; I274-V299 HydrophobicContact CD1-CG2 3.89Å; I274-V299 HydrophobicContact CG1-CG1 4.31Å; I274-V299 HydrophobicContact CG1-CG2 4.49Å; I274-V299 HydrophobicContact CG2-CG1 3.97Å; I274-V299 HydrophobicContact CG2-CG2 4.31Å
275	R	87.7	Confident	86.6	Confident	150 Å²	150	61.8 Å²	61.8	57%	0.566	33%	0.332	S	S	*	.	I	π-helix	trans	-69.4	-43.6	-177.8	-177.6	-172.2	61.7	-117.9	-7.5	112	A271 A272 F273 P280	A271-R275 PolarHBondContact O-N 2.88Å; A272-R275 PolarHBondContact O-N 3.5Å; A272-R275 VanDerWaalsContact O-N 3.11Å; F273-R275 VanDerWaalsContact C-N 3.32Å; F273-R275 PolarHBondContact O-N 3.22Å; R275-P280 WeakPolarHBondContact O-CD 3.41Å
276	D	87.1	Confident	87.3	Confident	93 Å²	93	61 Å²	61	50%	0.497	32%	0.324	S	S	.	.	I	π-helix	trans	-96.1	-27.1	-164.6	-57.8	-23.2	0	0	0	113.3	A272 P280	A272-D276 WeakPolarHBondContact O-CB 3.28Å; A272-D276 VanDerWaalsContact O-CG 3.27Å; A272-D276 PolarHBondContact O-N 2.78Å; D276-P280 WeakPolarHBondContact O-CG 3.42Å
277	E	85.3	Confident	88	Confident	98 Å²	98	57.3 Å²	57.3	46%	0.458	30%	0.304	S	S	.	.	I	π-helix	trans	-121.4	-44.7	-179.9	-66.8	-158.5	-175.8	0	0	113.4	F273 W283	F273-E277 HydrophobicContact CD1-CB 4.34Å; F273-E277 HydrophobicContact CD2-CB 4.41Å; F273-E277 HydrophobicContact CD2-CG 4.45Å; F273-E277 HydrophobicContact CE1-CB 4.06Å; F273-E277 HydrophobicContact CE2-CB 4.13Å; F273-E277 HydrophobicContact CE2-CG 4.22Å; F273-E277 WeakPolarHBondContact CE2-OE2 3.33Å; F273-E277 HydrophobicContact CZ-CB 3.94Å; F273-E277 HydrophobicContact CZ-CG 4.49Å; F273-E277 VanDerWaalsContact CZ-OE2 3.23Å; F273-E277 WeakPolarHBondContact CZ-OE2 3.17Å; F273-E277 PolarHBondContact O-N 3.47Å; E277-W283 VanDerWaalsContact O-CD1 3.31Å; E277-W283 PolarHBondContact O-NE1 2.88Å
278	M	86.3	Confident	88.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-73	-47.6	-171.9	-162	179.7	179.2	0	0	112.6	F273 I274 G281 W283 V299 F300 F303	F273-M278 HydrophobicContact CD1-CB 4.36Å; F273-M278 HydrophobicContact CE1-CB 4.4Å; F273-M278 PolarHBondContact O-N 3.5Å; I274-M278 HydrophobicContact CG1-SD 4.24Å; M278-G281 PolarHBondContact O-N 2.98Å; M278-W283 HydrophobicContact CG-CZ2 4.15Å; M278-W283 PolarHBondContact O-NE1 2.61Å; M278-V299 HydrophobicContact CE-CG1 3.92Å; M278-V299 HydrophobicContact SD-CG1 3.62Å; M278-F300 HydrophobicContact CE-CD1 3.74Å; M278-F300 HydrophobicContact CE-CE1 3.49Å; M278-F300 VanDerWaalsContact CE-CE1 3.49Å; M278-F300 HydrophobicContact CE-CG 4.34Å; M278-F300 HydrophobicContact CE-CZ 3.93Å; M278-F303 HydrophobicContact CE-CD2 4.32Å; M278-F303 HydrophobicContact CE-CE2 3.74Å; M278-F303 HydrophobicContact CE-CZ 4.33Å; M278-F303 HydrophobicContact CG-CE2 4.36Å; M278-F303 HydrophobicContact CG-CZ 4.1Å
279	M	87.8	Confident	88.9	Confident	90 Å²	90	44.1 Å²	44.1	44%	0.443	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-35.1	-177.4	-73.2	-63.2	-58	0	0	114.5	I274 G281 F303	I274-M279 HydrophobicContact CG2-CG 4Å; I274-M279 VanDerWaalsContact O-CB 3.3Å; I274-M279 WeakPolarHBondContact O-CB 3.43Å; I274-M279 WeakPolarHBondContact O-CG 3.47Å; I274-M279 PolarHBondContact O-N 3.28Å; M279-G281 PolarHBondContact O-N 3.37Å; M279-F303 HydrophobicContact SD-CZ 4.41Å
280	P	86.3	Confident	89.3	Confident	72 Å²	72	42.3 Å²	42.3	47%	0.468	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-29.5	170.8	-30.6	39.1	0	0	0	113.4	R275 D276 E282	R275-P280 WeakPolarHBondContact O-CD 3.41Å; D276-P280 WeakPolarHBondContact O-CG 3.42Å; P280-E282 VanDerWaalsContact C-N 3.27Å; P280-E282 HydrophobicContact CB-CG 4.5Å; P280-E282 PolarHBondContact O-N 3.03Å
281	G	82.3	Confident	89.3	Confident	37 Å²	37	45.4 Å²	45.4	38%	0.381	24%	0.24	S	C	.	.			trans	72	17.3	171.2	0	0	0	0	0	114.4	M278 M279 W283	M278-G281 PolarHBondContact O-N 2.98Å; M279-G281 PolarHBondContact O-N 3.37Å; G281-W283 PolarHBondContact O-N 3.04Å
282	E	87.6	Confident	89.4	Confident	147 Å²	147	43.3 Å²	43.3	69%	0.687	22%	0.221	S	C	*	.			trans	-77.7	33.4	178.7	-59.1	-166.9	163.1	0	0	113.3	R259 P280	R259-E282 VanDerWaalsContact CZ-O 3.25Å; R259-E282 PolarHBondContact NE-O 3.17Å; P280-E282 VanDerWaalsContact C-N 3.27Å; P280-E282 HydrophobicContact CB-CG 4.5Å; P280-E282 PolarHBondContact O-N 3.03Å
283	W	93.6	Very high	89.6	Confident	14 Å²	14	41.8 Å²	41.8	5%	0.053	21%	0.208	C	C	.	.			trans	-135.6	155.1	-176.2	52.6	-94.1	0	0	0	110.6	P234 I261 E277 M278 G281 C286 F303 W305	P234-W283 HydrophobicContact CB-CH2 3.8Å; P234-W283 HydrophobicContact CB-CZ3 3.74Å; I261-W283 HydrophobicContact CD1-CB 4.34Å; I261-W283 HydrophobicContact CD1-CD2 3.44Å; I261-W283 VanDerWaalsContact CD1-CD2 3.44Å; I261-W283 VanDerWaalsContact CD1-CE2 3.48Å; I261-W283 HydrophobicContact CD1-CE3 4.07Å; I261-W283 HydrophobicContact CD1-CG 3.54Å; I261-W283 HydrophobicContact CD1-CZ2 4.14Å; I261-W283 HydrophobicContact CG1-CB 4.12Å; I261-W283 HydrophobicContact CG1-CD2 3.82Å; I261-W283 HydrophobicContact CG1-CE3 4.11Å; I261-W283 HydrophobicContact CG1-CG 3.81Å; I261-W283 HydrophobicContact CG2-CB 3.7Å; I261-W283 HydrophobicContact CG2-CG 4.03Å; E277-W283 VanDerWaalsContact O-CD1 3.31Å; E277-W283 PolarHBondContact O-NE1 2.88Å; M278-W283 HydrophobicContact CG-CZ2 4.15Å; M278-W283 PolarHBondContact O-NE1 2.61Å; G281-W283 PolarHBondContact O-N 3.04Å; W283-C286 HydrophobicContact CE3-CB 4.04Å; W283-C286 HydrophobicContact CH2-CB 3.81Å; W283-C286 HydrophobicContact CZ3-CB 3.52Å; W283-F303 HydrophobicContact CH2-CD1 4.46Å; W283-F303 HydrophobicContact CH2-CE1 4.34Å; W283-F303 HydrophobicContact CZ2-CD1 4.42Å; W283-F303 AromaticContact CZ2-CE1 3.86Å; W283-F303 HydrophobicContact CZ2-CE1 3.86Å; W283-F303 HydrophobicContact CZ2-CZ 4.18Å; W283-W305 AromaticContact CH2-CH2 3.63Å; W283-W305 HydrophobicContact CH2-CH2 3.63Å; W283-W305 AromaticContact CH2-CZ3 3.6Å; W283-W305 HydrophobicContact CH2-CZ3 3.6Å; W283-W305 HydrophobicContact CZ3-CH2 4.27Å; W283-W305 AromaticContact CZ3-CZ3 3.83Å; W283-W305 HydrophobicContact CZ3-CZ3 3.83Å
284	D	95	Very high	89.8	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.016	22%	0.215	C	C	.	.	S	Bend	trans	-98.2	-43	-174.4	-61.4	-14.2	0	0	0	110.1	K226 P232 G233 H235 L258 R259	K226-D284 IonicContact NZ-OD2 3.65Å; K226-D284 PolarHBondContact NZ-OD2 3.16Å; P232-D284 WeakPolarHBondContact O-CA 3.26Å; P232-D284 WeakPolarHBondContact O-CB 3.39Å; G233-D284 WeakPolarHBondContact CA-O 3.27Å; H235-D284 PolarHBondContact N-O 3.2Å; L258-D284 WeakPolarHBondContact CA-OD2 3.32Å; L258-D284 HydrophobicContact CD2-CB 3.99Å; R259-D284 HydrophobicContact CB-CB 4.46Å; R259-D284 PolarHBondContact N-OD2 3.4Å; R259-D284 IonicContact NE-OD1 3.61Å; R259-D284 IonicContact NH2-OD1 3.52Å; R259-D284 WeakPolarHBondContact O-CA 3.35Å; R259-D284 WeakPolarHBondContact O-CB 3.17Å; R259-D284 PolarHBondContact O-N 2.74Å
285	V	96.4	Very high	89.8	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.7	-174.8	-172.1	0	0	0	0	111.3	L222 H235 V237 F251 L258 R259 V260 I261 V287	L222-V285 HydrophobicContact CD1-CG1 4.33Å; L222-V285 HydrophobicContact CD1-CG2 4.15Å; H235-V285 HydrophobicContact CB-CG1 4.35Å; H235-V285 HydrophobicContact CB-CG2 4.2Å; H235-V285 CarbonylContact O-C 3.59Å; H235-V285 WeakPolarHBondContact O-CA 3.22Å; V237-V285 HydrophobicContact CG2-CG1 3.68Å; F251-V285 HydrophobicContact CE1-CG1 4.38Å; F251-V285 HydrophobicContact CE1-CG2 4.23Å; F251-V285 HydrophobicContact CE2-CG1 4.21Å; F251-V285 HydrophobicContact CZ-CB 4.48Å; F251-V285 HydrophobicContact CZ-CG1 3.79Å; F251-V285 HydrophobicContact CZ-CG2 4.44Å; L258-V285 HydrophobicContact CD2-CG2 4.31Å; R259-V285 PolarHBondContact O-N 2.94Å; R259-V285 VanDerWaalsContact O-N 3.12Å; V260-V285 WeakPolarHBondContact CA-O 3.17Å; V260-V285 HydrophobicContact CB-CB 4.49Å; V260-V285 HydrophobicContact CG1-CB 4.14Å; V260-V285 HydrophobicContact CG1-CG1 4.37Å; V260-V285 HydrophobicContact CG2-CB 4.07Å; V260-V285 HydrophobicContact CG2-CG2 4.36Å; I261-V285 WeakPolarHBondContact CG1-O 3.45Å; I261-V285 PolarHBondContact N-O 3.15Å; V285-V287 HydrophobicContact CG1-CG2 4.26Å
286	C	95.4	Very high	89.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117	170	-179.4	0	0	0	0	110.6	H235 M236 V237 I261 W283 W305	H235-C286 PolarHBondContact O-N 2.8Å; M236-C286 WeakPolarHBondContact CA-O 3.32Å; V237-C286 PolarHBondContact N-O 3.13Å; I261-C286 HydrophobicContact CD1-CB 4.14Å; I261-C286 HydrophobicContact CG1-CB 4.02Å; W283-C286 HydrophobicContact CE3-CB 4.04Å; W283-C286 HydrophobicContact CH2-CB 3.81Å; W283-C286 HydrophobicContact CZ3-CB 3.52Å; C286-W305 HydrophobicContact CB-CH2 4.13Å; C286-W305 HydrophobicContact CB-CZ3 4.2Å
287	V	94.9	Very high	90.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127	174.9	-165.8	0	0	0	0	108.6	V237 V239 L244 W247 M248 F251 V260 I261 C262 F263 V285	V237-V287 HydrophobicContact CB-CG1 4.29Å; V237-V287 HydrophobicContact CB-CG2 4.33Å; V237-V287 WeakPolarHBondContact O-CA 3.39Å; V239-V287 HydrophobicContact CG1-CG1 4.31Å; V239-V287 HydrophobicContact CG2-CG1 3.99Å; L244-V287 HydrophobicContact CD2-CG1 3.82Å; W247-V287 HydrophobicContact CB-CG1 4.1Å; M248-V287 HydrophobicContact SD-CB 4.28Å; M248-V287 HydrophobicContact SD-CG2 4.02Å; F251-V287 HydrophobicContact CD2-CG2 4.24Å; F251-V287 HydrophobicContact CE2-CG2 3.79Å; V260-V287 HydrophobicContact CG1-CG2 3.51Å; I261-V287 PolarHBondContact O-N 2.88Å; C262-V287 CarbonylContact C-O 3.6Å; C262-V287 WeakPolarHBondContact CA-O 3.42Å; F263-V287 PolarHBondContact N-O 3.39Å; V285-V287 HydrophobicContact CG1-CG2 4.26Å
288	T	93.4	Very high	90.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	166.7	-178	-166.1	0	0	0	0	112.5	V237 L238 V239 F263 M292 V293 F300	V237-T288 PolarHBondContact O-N 2.95Å; L238-T288 WeakPolarHBondContact CA-O 3.13Å; L238-T288 HydrophobicContact CD2-CG2 3.45Å; L238-T288 VanDerWaalsContact CD2-CG2 3.45Å; V239-T288 PolarHBondContact N-O 2.99Å; F263-T288 PolarHBondContact O-OG1 3.37Å; T288-M292 WeakPolarHBondContact OG1-CB 3.1Å; T288-V293 HydrophobicContact CG2-CG2 3.65Å; T288-F300 HydrophobicContact CG2-CE1 3.99Å; T288-F300 HydrophobicContact CG2-CZ 3.8Å
289	S	90.3	Very high	90.5	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	157.1	178.9	91.5	0	0	0	0	112.4	V239 E291 M292 V293	V239-S289 VanDerWaalsContact O-CA 3.32Å; V239-S289 WeakPolarHBondContact O-CA 3.42Å; S289-E291 VanDerWaalsContact C-N 3.27Å; S289-E291 VanDerWaalsContact CB-OE2 3.27Å; S289-E291 WeakPolarHBondContact CB-OE2 3.42Å; S289-E291 PolarHBondContact O-N 2.83Å; S289-E291 PolarHBondContact OG-OE2 3.26Å; S289-M292 PolarHBondContact O-N 2.87Å; S289-M292 PolarHBondContact OG-N 3.37Å; S289-V293 PolarHBondContact O-N 3.48Å; S289-V293 VanDerWaalsContact O-N 3.15Å
290	Y	89.4	Confident	90.8	Very high	8 Å²	8	38 Å²	38	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-58.2	-40.2	178.4	-50.7	-63.4	0	0	0	112.8	L238 P240 M292 V293 I294 I310 D311 R315 L323	L238-Y290 HydrophobicContact CB-CD1 4.13Å; L238-Y290 HydrophobicContact CB-CE1 3.9Å; P240-Y290 HydrophobicContact CB-CE2 4.45Å; P240-Y290 WeakPolarHBondContact CD-OH 3.44Å; P240-Y290 HydrophobicContact CG-CE2 4.04Å; Y290-M292 PolarHBondContact O-N 3.25Å; Y290-V293 PolarHBondContact O-N 3.33Å; Y290-I294 VanDerWaalsContact O-CG1 3.29Å; Y290-I294 WeakPolarHBondContact O-CG1 3.4Å; Y290-I294 PolarHBondContact O-N 3.41Å; Y290-I294 VanDerWaalsContact O-N 3.11Å; Y290-I310 HydrophobicContact CE1-CG2 3.99Å; Y290-D311 PolarHBondContact OH-O 3.36Å; Y290-R315 HydrophobicContact CD2-CG 4.24Å; Y290-R315 HydrophobicContact CE2-CB 4.46Å; Y290-R315 HydrophobicContact CE2-CG 3.79Å; Y290-L323 HydrophobicContact CD1-CD1 4.01Å; Y290-L323 HydrophobicContact CD1-CD2 3.45Å; Y290-L323 VanDerWaalsContact CD1-CD2 3.45Å; Y290-L323 HydrophobicContact CD1-CG 4.36Å; Y290-L323 HydrophobicContact CE1-CD2 4.09Å; Y290-L323 HydrophobicContact CG-CD1 4.44Å; Y290-L323 HydrophobicContact CG-CD2 3.85Å
291	E	86.8	Confident	91	Very high	84 Å²	84	39.8 Å²	39.8	39%	0.393	20%	0.201	S	C	.	.	H	α-helix	trans	-61.6	-33.8	178.6	-58	76.2	-162	0	0	111	S289 I294 K295	S289-E291 VanDerWaalsContact C-N 3.27Å; S289-E291 VanDerWaalsContact CB-OE2 3.27Å; S289-E291 WeakPolarHBondContact CB-OE2 3.42Å; S289-E291 PolarHBondContact O-N 2.83Å; S289-E291 PolarHBondContact OG-OE2 3.26Å; E291-I294 PolarHBondContact O-N 3.03Å; E291-K295 WeakPolarHBondContact O-CG 3.17Å; E291-K295 PolarHBondContact O-N 3.47Å; E291-K295 VanDerWaalsContact O-N 3.13Å
292	M	89.1	Confident	91.4	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-77.8	-38	-176.7	-152.6	53.6	74.3	0	0	112.6	F263 V264 G265 R270 T288 S289 Y290 I294 K295 E296	F263-M292 HydrophobicContact CD1-CB 4.42Å; F263-M292 HydrophobicContact CD1-CG 3.5Å; F263-M292 VanDerWaalsContact CD1-CG 3.5Å; F263-M292 HydrophobicContact CE1-CG 3.42Å; F263-M292 VanDerWaalsContact CE1-CG 3.42Å; F263-M292 HydrophobicContact CE1-SD 4.36Å; F263-M292 HydrophobicContact CZ-CG 4.41Å; V264-M292 HydrophobicContact CG1-CE 4.18Å; G265-M292 WeakPolarHBondContact O-CE 3.35Å; R270-M292 WeakPolarHBondContact CD-SD 3.28Å; R270-M292 HydrophobicContact CG-SD 4.36Å; R270-M292 PolarHBondContact NH1-SD 2.75Å; T288-M292 WeakPolarHBondContact OG1-CB 3.1Å; S289-M292 PolarHBondContact O-N 2.87Å; S289-M292 PolarHBondContact OG-N 3.37Å; Y290-M292 PolarHBondContact O-N 3.25Å; M292-I294 VanDerWaalsContact C-N 3.28Å; M292-I294 PolarHBondContact O-N 3.03Å; M292-K295 PolarHBondContact O-N 2.69Å; M292-K295 HydrophobicContact SD-CD 4.27Å; M292-E296 PolarHBondContact O-N 2.83Å
293	V	91.1	Very high	91.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.6	-43.2	168.9	173.1	0	0	0	0	111.6	L238 T288 S289 Y290 K295 K297 F300 I326 F330	L238-V293 HydrophobicContact CD1-CG2 4.23Å; L238-V293 HydrophobicContact CD2-CG2 3.34Å; L238-V293 HydrophobicContact CG-CG2 4.41Å; T288-V293 HydrophobicContact CG2-CG2 3.65Å; S289-V293 PolarHBondContact O-N 3.48Å; S289-V293 VanDerWaalsContact O-N 3.15Å; Y290-V293 PolarHBondContact O-N 3.33Å; V293-K295 VanDerWaalsContact C-N 3.34Å; V293-K295 PolarHBondContact O-N 2.64Å; V293-K297 WeakPolarHBondContact O-CA 3.43Å; V293-K297 PolarHBondContact O-N 2.98Å; V293-K297 VanDerWaalsContact O-N 3.07Å; V293-F300 HydrophobicContact CG2-CE2 4.42Å; V293-I326 HydrophobicContact CG1-CG2 3.83Å; V293-F330 HydrophobicContact CG1-CE2 3.48Å; V293-F330 VanDerWaalsContact CG1-CE2 3.48Å; V293-F330 HydrophobicContact CG1-CZ 3.66Å
294	I	90.2	Very high	91.4	Very high	64 Å²	64	41 Å²	41	33%	0.328	19%	0.194	S	C	.	.	H	α-helix	trans	-64.5	-41.1	179.8	-66.7	164.7	0	0	0	111	Y290 E291 M292 L323 I326	Y290-I294 VanDerWaalsContact O-CG1 3.29Å; Y290-I294 WeakPolarHBondContact O-CG1 3.4Å; Y290-I294 PolarHBondContact O-N 3.41Å; Y290-I294 VanDerWaalsContact O-N 3.11Å; E291-I294 PolarHBondContact O-N 3.03Å; M292-I294 VanDerWaalsContact C-N 3.28Å; M292-I294 PolarHBondContact O-N 3.03Å; I294-L323 HydrophobicContact CD1-CB 4.39Å; I294-L323 HydrophobicContact CG1-CD1 4.44Å; I294-I326 HydrophobicContact CB-CD1 4.13Å; I294-I326 HydrophobicContact CG1-CD1 3.88Å; I294-I326 HydrophobicContact CG2-CD1 4.11Å
295	K	89.3	Confident	91.3	Very high	136 Å²	136	40.8 Å²	40.8	59%	0.591	19%	0.193	S	C	*	.	H	α-helix	trans	-70.7	-43.3	179.5	-71.2	176.2	-179	-175.5	0	112.8	E291 M292 V293	E291-K295 WeakPolarHBondContact O-CG 3.17Å; E291-K295 PolarHBondContact O-N 3.47Å; E291-K295 VanDerWaalsContact O-N 3.13Å; M292-K295 PolarHBondContact O-N 2.69Å; M292-K295 HydrophobicContact SD-CD 4.27Å; V293-K295 VanDerWaalsContact C-N 3.34Å; V293-K295 PolarHBondContact O-N 2.64Å
296	E	90.8	Very high	91.1	Very high	36 Å²	36	42.2 Å²	42.2	17%	0.168	20%	0.198	C	C	.	.	S	Bend	trans	-109.1	30.1	-171.6	-60	-56.8	146.5	0	0	113.7	F263 R270 M292 S298 V299 F300	F263-E296 HydrophobicContact CE1-CB 4.05Å; F263-E296 HydrophobicContact CE1-CG 3.86Å; F263-E296 HydrophobicContact CZ-CB 4.41Å; F263-E296 HydrophobicContact CZ-CG 3.94Å; R270-E296 IonicContact CZ-OE1 3.56Å; R270-E296 IonicContact NE-OE1 2.65Å; R270-E296 VanDerWaalsContact NH1-CG 3.31Å; R270-E296 IonicContact NH1-OE1 2.89Å; R270-E296 PolarHBondContact NH1-OE1 3.49Å; R270-E296 IonicContact NH2-OE1 3.75Å; R270-E296 PolarHBondContact NH2-OE1 3.05Å; M292-E296 PolarHBondContact O-N 2.83Å; E296-S298 PolarHBondContact O-N 3.15Å; E296-V299 HydrophobicContact CB-CG2 4.49Å; E296-V299 PolarHBondContact O-N 2.97Å; E296-F300 HydrophobicContact CB-CD2 4.27Å; E296-F300 HydrophobicContact CB-CE2 4.09Å; E296-F300 WeakPolarHBondContact O-CD2 3.33Å; E296-F300 PolarHBondContact O-N 2.97Å
297	K	90.9	Very high	91.1	Very high	98 Å²	98	42.2 Å²	42.2	43%	0.426	20%	0.198	S	C	.	.	H	α-helix	trans	-50.9	-34.5	-175.6	68.4	175.3	-174	169.3	0	114.1	V293 V299 F300 K301 I326	V293-K297 WeakPolarHBondContact O-CA 3.43Å; V293-K297 PolarHBondContact O-N 2.98Å; V293-K297 VanDerWaalsContact O-N 3.07Å; K297-V299 VanDerWaalsContact C-N 3.28Å; K297-V299 PolarHBondContact O-N 3.4Å; K297-F300 PolarHBondContact O-N 3.45Å; K297-K301 VanDerWaalsContact O-CB 3.31Å; K297-K301 WeakPolarHBondContact O-CB 3.38Å; K297-K301 PolarHBondContact O-N 3.05Å; K297-I326 HydrophobicContact CB-CG2 3.89Å; K297-I326 HydrophobicContact CD-CD1 4.35Å; K297-I326 HydrophobicContact CD-CG1 4.18Å
298	S	90.4	Very high	91.1	Very high	76 Å²	76	42.2 Å²	42.2	53%	0.531	20%	0.198	S	C	.	.	H	α-helix	trans	-66.4	-29.4	-179	54.1	0	0	0	0	112.8	E296 K302	E296-S298 PolarHBondContact O-N 3.15Å; S298-K302 WeakPolarHBondContact O-CG 3.46Å
299	V	90.6	Very high	91.2	Very high	10 Å²	10	42.2 Å²	42.2	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-77.6	-51	177.1	-178.2	0	0	0	0	109.7	I274 M278 E296 K297 K301 K302 F303	I274-V299 HydrophobicContact CD1-CG2 3.89Å; I274-V299 HydrophobicContact CG1-CG1 4.31Å; I274-V299 HydrophobicContact CG1-CG2 4.49Å; I274-V299 HydrophobicContact CG2-CG1 3.97Å; I274-V299 HydrophobicContact CG2-CG2 4.31Å; M278-V299 HydrophobicContact CE-CG1 3.92Å; M278-V299 HydrophobicContact SD-CG1 3.62Å; E296-V299 HydrophobicContact CB-CG2 4.49Å; E296-V299 PolarHBondContact O-N 2.97Å; K297-V299 VanDerWaalsContact C-N 3.28Å; K297-V299 PolarHBondContact O-N 3.4Å; V299-K301 PolarHBondContact O-N 3.04Å; V299-K302 WeakPolarHBondContact O-CB 3.46Å; V299-K302 PolarHBondContact O-N 2.65Å; V299-F303 HydrophobicContact CG1-CE2 4.29Å; V299-F303 WeakPolarHBondContact O-CD2 3.44Å
300	F	92.4	Very high	91.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-31.6	-179.8	-72.5	-78.1	0	0	0	113.4	M236 F263 M278 T288 V293 E296 K297 K302 F303 W305 F330	M236-F300 HydrophobicContact SD-CD1 3.56Å; M236-F300 VanDerWaalsContact SD-CD1 3.56Å; M236-F300 HydrophobicContact SD-CE1 3.89Å; M236-F300 HydrophobicContact SD-CG 4.45Å; F263-F300 AromaticContact CD1-CE2 3.88Å; F263-F300 HydrophobicContact CD1-CE2 3.88Å; F263-F300 AromaticContact CD1-CZ 3.52Å; F263-F300 HydrophobicContact CD1-CZ 3.52Å; F263-F300 AromaticContact CE1-CE2 3.87Å; F263-F300 HydrophobicContact CE1-CE2 3.87Å; F263-F300 AromaticContact CE1-CZ 3.99Å; F263-F300 HydrophobicContact CE1-CZ 3.99Å; F263-F300 HydrophobicContact CG-CZ 4.31Å; M278-F300 HydrophobicContact CE-CD1 3.74Å; M278-F300 HydrophobicContact CE-CE1 3.49Å; M278-F300 VanDerWaalsContact CE-CE1 3.49Å; M278-F300 HydrophobicContact CE-CG 4.34Å; M278-F300 HydrophobicContact CE-CZ 3.93Å; T288-F300 HydrophobicContact CG2-CE1 3.99Å; T288-F300 HydrophobicContact CG2-CZ 3.8Å; V293-F300 HydrophobicContact CG2-CE2 4.42Å; E296-F300 HydrophobicContact CB-CD2 4.27Å; E296-F300 HydrophobicContact CB-CE2 4.09Å; E296-F300 WeakPolarHBondContact O-CD2 3.33Å; E296-F300 PolarHBondContact O-N 2.97Å; K297-F300 PolarHBondContact O-N 3.45Å; F300-K302 PolarHBondContact O-N 2.98Å; F300-F303 PolarHBondContact O-N 3.23Å; F300-W305 HydrophobicContact CD1-CH2 4.22Å; F300-W305 AromaticContact CD1-CZ2 3.66Å; F300-W305 HydrophobicContact CD1-CZ2 3.66Å; F300-W305 HydrophobicContact CE1-CZ2 4.39Å; F300-W305 PolarHBondContact O-NE1 3.32Å; F300-W305 VanDerWaalsContact O-NE1 3.12Å; F300-F330 HydrophobicContact CB-CE1 3.77Å; F300-F330 HydrophobicContact CB-CE2 4.02Å; F300-F330 HydrophobicContact CB-CZ 3.46Å; F300-F330 VanDerWaalsContact CB-CZ 3.46Å; F300-F330 HydrophobicContact CG-CZ 4.32Å
301	K	91	Very high	91.4	Very high	111 Å²	111	42.3 Å²	42.3	48%	0.483	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19	176.6	-168.7	169.8	-174.4	166.7	0	113.9	K297 V299 F303 E329 F330	K297-K301 VanDerWaalsContact O-CB 3.31Å; K297-K301 WeakPolarHBondContact O-CB 3.38Å; K297-K301 PolarHBondContact O-N 3.05Å; V299-K301 PolarHBondContact O-N 3.04Å; K301-F303 VanDerWaalsContact C-N 3.27Å; K301-F303 PolarHBondContact O-N 3.31Å; K301-E329 IonicContact NZ-OE2 2.85Å; K301-E329 PolarHBondContact NZ-OE2 3.19Å; K301-F330 HydrophobicContact CB-CD1 4.38Å; K301-F330 HydrophobicContact CB-CE1 4.29Å
302	K	90.1	Very high	91.3	Very high	137 Å²	137	39.4 Å²	39.4	60%	0.596	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-15.5	178.8	-63.8	175.8	-177.3	179.8	0	113.2	S298 V299 F300	S298-K302 WeakPolarHBondContact O-CG 3.46Å; V299-K302 WeakPolarHBondContact O-CB 3.46Å; V299-K302 PolarHBondContact O-N 2.65Å; F300-K302 PolarHBondContact O-N 2.98Å
303	F	90.6	Very high	90.8	Very high	31 Å²	31	39.1 Å²	39.1	14%	0.136	19%	0.185	C	C	.	.	S	Bend	trans	-98.1	142	-176.3	-64.1	-90	0	0	0	111.5	M278 M279 W283 V299 F300 K301 W305	M278-F303 HydrophobicContact CE-CD2 4.32Å; M278-F303 HydrophobicContact CE-CE2 3.74Å; M278-F303 HydrophobicContact CE-CZ 4.33Å; M278-F303 HydrophobicContact CG-CE2 4.36Å; M278-F303 HydrophobicContact CG-CZ 4.1Å; M279-F303 HydrophobicContact SD-CZ 4.41Å; W283-F303 HydrophobicContact CH2-CD1 4.46Å; W283-F303 HydrophobicContact CH2-CE1 4.34Å; W283-F303 HydrophobicContact CZ2-CD1 4.42Å; W283-F303 AromaticContact CZ2-CE1 3.86Å; W283-F303 HydrophobicContact CZ2-CE1 3.86Å; W283-F303 HydrophobicContact CZ2-CZ 4.18Å; V299-F303 HydrophobicContact CG1-CE2 4.29Å; V299-F303 WeakPolarHBondContact O-CD2 3.44Å; F300-F303 PolarHBondContact O-N 3.23Å; K301-F303 VanDerWaalsContact C-N 3.27Å; K301-F303 PolarHBondContact O-N 3.31Å; F303-W305 HydrophobicContact CB-CD2 4.13Å; F303-W305 HydrophobicContact CB-CH2 4.32Å; F303-W305 HydrophobicContact CB-CZ2 3.64Å; F303-W305 HydrophobicContact CD2-CH2 4.48Å; F303-W305 AromaticContact CD2-CZ2 3.93Å; F303-W305 HydrophobicContact CD2-CZ2 3.93Å; F303-W305 HydrophobicContact CG-CH2 4.31Å; F303-W305 AromaticContact CG-CZ2 3.89Å; F303-W305 HydrophobicContact CG-CZ2 3.89Å
304	H	91.3	Very high	90.1	Very high	54 Å²	54	42.5 Å²	42.5	25%	0.25	20%	0.201	C	C	.	.			trans	-95.3	95.6	168	-65.8	85.8	0	0	0	108	Y83 R306 K331	Y83-H304 HydrophobicContact CD2-CB 4.16Å; Y83-H304 AromaticContact CE1-CD2 3.98Å; Y83-H304 HydrophobicContact CE2-CB 4.24Å; H304-R306 PolarHBondContact O-N 3.47Å; H304-K331 WeakPolarHBondContact CD2-CD 3.2Å; H304-K331 WeakPolarHBondContact NE2-CD 3.19Å; H304-K331 PolarHBondContact NE2-NZ 3.45Å
305	W	94	Very high	89.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.8	-172.6	-60.9	98	0	0	0	110.8	P234 H235 M236 W283 C286 F300 F303 K331 S332 T333	P234-W305 HydrophobicContact CB-CE3 4Å; P234-W305 HydrophobicContact CB-CZ3 3.98Å; P234-W305 HydrophobicContact CG-CE3 4.45Å; H235-W305 WeakPolarHBondContact O-CZ3 3.36Å; M236-W305 HydrophobicContact CB-CD2 3.76Å; M236-W305 HydrophobicContact CB-CE3 3.49Å; M236-W305 VanDerWaalsContact CB-CE3 3.49Å; M236-W305 HydrophobicContact CB-CG 4.44Å; M236-W305 HydrophobicContact CB-CH2 4.12Å; M236-W305 HydrophobicContact CB-CZ2 4.42Å; M236-W305 HydrophobicContact CB-CZ3 3.64Å; M236-W305 HydrophobicContact CG-CH2 4.39Å; M236-W305 HydrophobicContact CG-CZ3 4.37Å; M236-W305 HydrophobicContact SD-CD2 4.48Å; M236-W305 HydrophobicContact SD-CH2 4.25Å; M236-W305 HydrophobicContact SD-CZ2 3.93Å; W283-W305 AromaticContact CH2-CH2 3.63Å; W283-W305 HydrophobicContact CH2-CH2 3.63Å; W283-W305 AromaticContact CH2-CZ3 3.6Å; W283-W305 HydrophobicContact CH2-CZ3 3.6Å; W283-W305 HydrophobicContact CZ3-CH2 4.27Å; W283-W305 AromaticContact CZ3-CZ3 3.83Å; W283-W305 HydrophobicContact CZ3-CZ3 3.83Å; C286-W305 HydrophobicContact CB-CH2 4.13Å; C286-W305 HydrophobicContact CB-CZ3 4.2Å; F300-W305 HydrophobicContact CD1-CH2 4.22Å; F300-W305 AromaticContact CD1-CZ2 3.66Å; F300-W305 HydrophobicContact CD1-CZ2 3.66Å; F300-W305 HydrophobicContact CE1-CZ2 4.39Å; F300-W305 PolarHBondContact O-NE1 3.32Å; F300-W305 VanDerWaalsContact O-NE1 3.12Å; F303-W305 HydrophobicContact CB-CD2 4.13Å; F303-W305 HydrophobicContact CB-CH2 4.32Å; F303-W305 HydrophobicContact CB-CZ2 3.64Å; F303-W305 HydrophobicContact CD2-CH2 4.48Å; F303-W305 AromaticContact CD2-CZ2 3.93Å; F303-W305 HydrophobicContact CD2-CZ2 3.93Å; F303-W305 HydrophobicContact CG-CH2 4.31Å; F303-W305 AromaticContact CG-CZ2 3.89Å; F303-W305 HydrophobicContact CG-CZ2 3.89Å; W305-K331 PolarHBondContact N-O 3.05Å; W305-S332 CarbonylContact O-C 3.57Å; W305-S332 WeakPolarHBondContact O-CA 3.36Å; W305-T333 PolarHBondContact O-N 2.87Å
306	R	92.1	Very high	88.7	Confident	29 Å²	29	39.5 Å²	39.5	11%	0.109	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	-39.6	173.9	-63.9	-62.5	-174.7	-167.8	-6.8	110.3	D80 I231 G233 P234 H304 T333 N334	D80-R306 IonicContact OD2-CZ 3.26Å; D80-R306 IonicContact OD2-NH1 2.73Å; D80-R306 IonicContact OD2-NH2 3.63Å; D80-R306 PolarHBondContact OD2-NH2 2.84Å; I231-R306 HydrophobicContact CG2-CB 4.06Å; I231-R306 HydrophobicContact CG2-CG 3.79Å; G233-R306 WeakPolarHBondContact O-CG 3.5Å; P234-R306 PolarHBondContact O-N 3.44Å; H304-R306 PolarHBondContact O-N 3.47Å; R306-T333 PolarHBondContact O-OG1 3.13Å; R306-N334 PolarHBondContact O-N 3.2Å
307	Y	94.8	Very high	88	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	134.5	177.9	-140.6	-68.8	0	0	0	110.4	Y198 L221 L222 L225 H235 M236 V309 N334 L336	Y198-Y307 HydrophobicContact CD2-CD2 4.38Å; Y198-Y307 AromaticContact CD2-CE2 4Å; Y198-Y307 HydrophobicContact CD2-CE2 4Å; L221-Y307 HydrophobicContact CD2-CE1 4.28Å; L221-Y307 HydrophobicContact CD2-CE2 3.78Å; L222-Y307 HydrophobicContact CD2-CG 4.27Å; L225-Y307 HydrophobicContact CD1-CD2 3.69Å; L225-Y307 HydrophobicContact CD1-CE2 4.4Å; L225-Y307 HydrophobicContact CD1-CG 4.45Å; H235-Y307 WeakPolarHBondContact CA-O 3.06Å; H235-Y307 WeakPolarHBondContact ND1-CB 3.48Å; H235-Y307 PolarHBondContact ND1-N 2.67Å; M236-Y307 PolarHBondContact N-O 3.36Å; Y307-V309 HydrophobicContact CD1-CG2 3.89Å; Y307-V309 HydrophobicContact CE1-CG2 4.31Å; Y307-N334 WeakPolarHBondContact CA-O 3.41Å; Y307-N334 HydrophobicContact CD2-CB 3.65Å; Y307-N334 HydrophobicContact CE1-CB 4.38Å; Y307-N334 HydrophobicContact CE2-CB 3.53Å; Y307-N334 HydrophobicContact CG-CB 4.19Å; Y307-L336 HydrophobicContact CE1-CB 3.53Å
308	L	94.8	Very high	87.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	111.1	177.6	-173.8	145.3	0	0	0	109.6	M236 I310 V327 F330 N334 R335 L336 F356	M236-L308 HydrophobicContact CE-CD1 3.22Å; M236-L308 HydrophobicContact CE-CG 3.83Å; L308-I310 HydrophobicContact CD2-CD1 3.91Å; L308-I310 HydrophobicContact CD2-CG1 3.72Å; L308-V327 HydrophobicContact CD1-CG1 4.19Å; L308-V327 HydrophobicContact CD2-CG1 3.9Å; L308-F330 HydrophobicContact CD1-CB 4.34Å; L308-F330 HydrophobicContact CD1-CD2 4.31Å; L308-N334 PolarHBondContact N-O 2.65Å; L308-R335 HydrophobicContact CB-CG 4.34Å; L308-R335 CarbonylContact O-C 3.45Å; L308-R335 VanDerWaalsContact O-CA 3.27Å; L308-R335 WeakPolarHBondContact O-CA 3.38Å; L308-L336 PolarHBondContact O-N 3.01Å; L308-F356 HydrophobicContact CD2-CE2 3.93Å; L308-F356 HydrophobicContact CD2-CZ 3.6Å
309	V	95.5	Very high	86.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.2	179.8	-178.8	0	0	0	0	108.6	T218 M236 V237 L238 W247 Y307 L336 L338	T218-V309 HydrophobicContact CG2-CB 4.43Å; T218-V309 HydrophobicContact CG2-CG1 3.84Å; T218-V309 HydrophobicContact CG2-CG2 3.76Å; M236-V309 PolarHBondContact O-N 2.88Å; V237-V309 WeakPolarHBondContact CA-O 3.4Å; V237-V309 HydrophobicContact CB-CB 4.45Å; V237-V309 HydrophobicContact CG1-CB 4.1Å; V237-V309 HydrophobicContact CG1-CG1 4.13Å; V237-V309 HydrophobicContact CG2-CB 4.29Å; L238-V309 PolarHBondContact N-O 3.14Å; W247-V309 HydrophobicContact CH2-CG1 4.25Å; Y307-V309 HydrophobicContact CD1-CG2 3.89Å; Y307-V309 HydrophobicContact CE1-CG2 4.31Å; V309-L336 WeakPolarHBondContact CA-O 3.41Å; V309-L336 HydrophobicContact CG2-CB 4.45Å; V309-L338 HydrophobicContact CG1-CD1 3.91Å; V309-L338 HydrophobicContact CG1-CG 4.12Å
310	I	93.4	Very high	85.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	108.8	171.5	-54.5	-172.7	0	0	0	107.2	L238 Y290 L308 I316 V327 L336 L337 L338 F356	L238-I310 HydrophobicContact CB-CG1 4.41Å; L238-I310 HydrophobicContact CD1-CD1 4.49Å; L238-I310 HydrophobicContact CD1-CG1 4.29Å; Y290-I310 HydrophobicContact CE1-CG2 3.99Å; L308-I310 HydrophobicContact CD2-CD1 3.91Å; L308-I310 HydrophobicContact CD2-CG1 3.72Å; I310-I316 HydrophobicContact CD1-CD1 4.47Å; I310-I316 HydrophobicContact CD1-CG2 4.03Å; I310-I316 HydrophobicContact CG2-CG2 4.4Å; I310-V327 HydrophobicContact CD1-CG1 4.04Å; I310-L336 PolarHBondContact N-O 3.49Å; I310-L337 HydrophobicContact CB-CD2 3.74Å; I310-L337 HydrophobicContact CD1-CD2 4.04Å; I310-L337 HydrophobicContact CG1-CD2 4.15Å; I310-L337 HydrophobicContact CG2-CD2 4.37Å; I310-L338 PolarHBondContact O-N 3Å; I310-F356 HydrophobicContact CD1-CD2 4.4Å; I310-F356 HydrophobicContact CD1-CE1 4.49Å; I310-F356 HydrophobicContact CD1-CE2 3.44Å; I310-F356 VanDerWaalsContact CD1-CE2 3.44Å; I310-F356 HydrophobicContact CD1-CZ 3.48Å; I310-F356 VanDerWaalsContact CD1-CZ 3.48Å; I310-F356 HydrophobicContact CG1-CE2 4.41Å; I310-F356 HydrophobicContact CG1-CZ 4Å
311	D	91.2	Very high	84.7	Confident	12 Å²	12	45 Å²	45	6%	0.064	20%	0.204	C	C	.	.	S	Bend	trans	-70.9	161.4	168.4	-158.3	4	0	0	0	110	L238 V239 W247 Y290 A313 L338	L238-D311 PolarHBondContact O-N 2.93Å; V239-D311 HydrophobicContact CB-CB 4.18Å; V239-D311 HydrophobicContact CG1-CB 3.86Å; W247-D311 HydrophobicContact CZ2-CB 4.06Å; W247-D311 PolarHBondContact NE1-OD2 3.33Å; Y290-D311 PolarHBondContact OH-O 3.36Å; D311-A313 VanDerWaalsContact C-N 3.31Å; D311-A313 PolarHBondContact O-N 2.93Å; D311-A313 VanDerWaalsContact O-N 3.13Å; D311-L338 CarbonylContact C-O 3.58Å; D311-L338 HydrophobicContact CB-CD1 4.36Å
312	E	83.3	Confident	84.3	Confident	24 Å²	24	46.7 Å²	46.7	11%	0.112	21%	0.211	C	C	.	.	S	Bend	trans	40.5	54.9	177.9	-71.9	-58.2	150.5	0	0	114.6	P240 H314 R315 L338	P240-E312 HydrophobicContact CG-CB 3.93Å; P240-E312 HydrophobicContact CG-CG 4Å; E312-H314 PolarHBondContact O-N 2.96Å; E312-H314 PolarHBondContact O-ND1 3Å; E312-H314 IonicContact OE2-CE1 3.45Å; E312-H314 PolarHBondContact OE2-CE1 3.17Å; E312-H314 IonicContact OE2-ND1 3.55Å; E312-H314 PolarHBondContact OE2-ND1 2.85Å; E312-R315 PolarHBondContact O-N 2.77Å; E312-L338 WeakPolarHBondContact CA-O 3.47Å; E312-L338 PolarHBondContact N-O 2.74Å
313	A	79.4	Confident	84	Confident	4 Å²	4	40.5 Å²	40.5	3%	0.033	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-59.3	-2.5	-171.6	0	0	0	0	0	115.3	D311 R315 I316 L337 L338	D311-A313 VanDerWaalsContact C-N 3.31Å; D311-A313 PolarHBondContact O-N 2.93Å; D311-A313 VanDerWaalsContact O-N 3.13Å; A313-R315 PolarHBondContact O-N 3.27Å; A313-I316 HydrophobicContact CB-CG1 4.23Å; A313-I316 WeakPolarHBondContact O-CG1 3.43Å; A313-I316 PolarHBondContact O-N 3.43Å; A313-L337 HydrophobicContact CB-CB 3.87Å; A313-L337 HydrophobicContact CB-CD1 4.41Å; A313-L337 HydrophobicContact CB-CD2 3.94Å; A313-L337 HydrophobicContact CB-CG 4.29Å; A313-L338 WeakPolarHBondContact CB-O 3.25Å; A313-L338 PolarHBondContact N-O 3.04Å
314	H	75	Confident	83.6	Confident	71 Å²	71	39.2 Å²	39.2	33%	0.329	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-54.6	-22.2	169.2	69.7	-100.2	0	0	0	112.9	E312 I316 K317	E312-H314 PolarHBondContact O-N 2.96Å; E312-H314 PolarHBondContact O-ND1 3Å; E312-H314 IonicContact OE2-CE1 3.45Å; E312-H314 PolarHBondContact OE2-CE1 3.17Å; E312-H314 IonicContact OE2-ND1 3.55Å; E312-H314 PolarHBondContact OE2-ND1 2.85Å; H314-I316 PolarHBondContact O-N 3.39Å; H314-K317 HydrophobicContact CB-CD 4.08Å
315	R	74.6	Confident	83.3	Confident	134 Å²	134	41.4 Å²	41.4	51%	0.506	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-69.9	-22.6	176	-65.5	-65.8	-175.6	160.7	4.3	115.4	Y290 E312 A313 L323	Y290-R315 HydrophobicContact CD2-CG 4.24Å; Y290-R315 HydrophobicContact CE2-CB 4.46Å; Y290-R315 HydrophobicContact CE2-CG 3.79Å; E312-R315 PolarHBondContact O-N 2.77Å; A313-R315 PolarHBondContact O-N 3.27Å; R315-L323 HydrophobicContact CB-CD2 4.02Å
316	I	77.1	Confident	83	Confident	2 Å²	2	42 Å²	42	1%	0.01	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-101.7	0.6	-179.5	61.2	154	0	0	0	113.7	I310 A313 H314 N318 L323 L337 L353 F356	I310-I316 HydrophobicContact CD1-CD1 4.47Å; I310-I316 HydrophobicContact CD1-CG2 4.03Å; I310-I316 HydrophobicContact CG2-CG2 4.4Å; A313-I316 HydrophobicContact CB-CG1 4.23Å; A313-I316 WeakPolarHBondContact O-CG1 3.43Å; A313-I316 PolarHBondContact O-N 3.43Å; H314-I316 PolarHBondContact O-N 3.39Å; I316-N318 PolarHBondContact O-N 2.73Å; I316-N318 VanDerWaalsContact O-N 3.11Å; I316-L323 HydrophobicContact CG2-CD2 4.04Å; I316-L323 HydrophobicContact CG2-CG 4.42Å; I316-L337 HydrophobicContact CD1-CD1 3.67Å; I316-L337 HydrophobicContact CD1-CD2 3.39Å; I316-L337 HydrophobicContact CD1-CG 4.18Å; I316-L337 HydrophobicContact CG1-CD2 4.41Å; I316-L353 HydrophobicContact CD1-CD2 4.16Å; I316-F356 HydrophobicContact CD1-CB 4.43Å; I316-F356 HydrophobicContact CD1-CD1 4.42Å; I316-F356 HydrophobicContact CD1-CD2 4.21Å; I316-F356 HydrophobicContact CD1-CG 4.08Å
317	K	75.3	Confident	82.7	Confident	32 Å²	32	40.7 Å²	40.7	14%	0.139	19%	0.188	C	C	.	.	S	Bend	trans	-59.5	-21.9	179.9	-70.8	-179.5	170.5	-144.3	0	113.7	H314 P342 E349	H314-K317 HydrophobicContact CB-CD 4.08Å; K317-P342 PolarHBondContact NZ-O 3.1Å; K317-E349 HydrophobicContact CB-CB 4.5Å; K317-E349 HydrophobicContact CB-CG 3.77Å; K317-E349 VanDerWaalsContact CD-CD 3.42Å; K317-E349 HydrophobicContact CD-CG 4.12Å; K317-E349 WeakPolarHBondContact CD-OE1 3.21Å; K317-E349 WeakPolarHBondContact CE-OE1 3.47Å; K317-E349 HydrophobicContact CG-CG 3.73Å; K317-E349 IonicContact NZ-OE1 2.78Å; K317-E349 PolarHBondContact NZ-OE1 3.46Å; K317-E349 IonicContact NZ-OE2 3.8Å; K317-E349 WeakPolarHBondContact O-CA 3.38Å
318	N	72	Confident	82.2	Confident	94 Å²	94	44.1 Å²	44.1	50%	0.503	20%	0.201	S	C	.	.			trans	-100	112.2	173.7	-175.3	-4.9	0	0	0	109.7	I316 K320 S321	I316-N318 PolarHBondContact O-N 2.73Å; I316-N318 VanDerWaalsContact O-N 3.11Å; N318-K320 PolarHBondContact O-N 2.7Å; N318-K320 WeakPolarHBondContact OD1-CB 3.39Å; N318-K320 PolarHBondContact OD1-N 2.84Å; N318-S321 WeakPolarHBondContact O-CB 3.38Å; N318-S321 PolarHBondContact O-N 2.89Å
319	E	71.1	Confident	81.7	Confident	20 Å²	20	48.1 Å²	48.1	9%	0.093	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.1	176	68.7	-166.3	-167.2	0	0	113.5	S321 H348 W351 A352	E319-S321 PolarHBondContact O-N 3.23Å; E319-H348 IonicContact OE1-ND1 2.8Å; E319-H348 PolarHBondContact OE1-ND1 3.27Å; E319-H348 IonicContact OE2-ND1 3.13Å; E319-W351 HydrophobicContact CB-CE3 4.12Å; E319-W351 HydrophobicContact CB-CZ3 3.79Å; E319-W351 HydrophobicContact CG-CZ3 4.43Å; E319-W351 WeakPolarHBondContact OE2-CZ3 3.33Å; E319-A352 HydrophobicContact CB-CB 4.13Å
320	K	73.9	Confident	81.4	Confident	153 Å²	153	48.3 Å²	48.3	67%	0.665	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	2.7	179.9	-54.6	-174.8	179.8	175.5	0	112.4	N318	N318-K320 PolarHBondContact O-N 2.7Å; N318-K320 WeakPolarHBondContact OD1-CB 3.39Å; N318-K320 PolarHBondContact OD1-N 2.84Å
321	S	79.1	Confident	81.2	Confident	36 Å²	36	52.9 Å²	52.9	25%	0.252	24%	0.241	S	C	.	.	S	Bend	trans	-70.6	131.6	172.7	179.8	0	0	0	0	109.3	N318 E319 L323 S324 E325	N318-S321 WeakPolarHBondContact O-CB 3.38Å; N318-S321 PolarHBondContact O-N 2.89Å; E319-S321 PolarHBondContact O-N 3.23Å; S321-L323 PolarHBondContact O-N 3.15Å; S321-L323 PolarHBondContact OG-N 2.99Å; S321-S324 WeakPolarHBondContact O-CA 3.46Å; S321-S324 WeakPolarHBondContact O-CB 3.5Å; S321-S324 PolarHBondContact O-N 3.06Å; S321-E325 PolarHBondContact O-N 3.23Å; S321-E325 VanDerWaalsContact O-N 3.11Å
322	K	82.7	Confident	81.1	Confident	147 Å²	147	52.8 Å²	52.8	64%	0.639	24%	0.241	S	C	*	.	H	α-helix	trans	-49	-35.5	173.2	-69.8	-176.9	178.8	-178.2	0	112.6	I326	K322-I326 WeakPolarHBondContact O-CB 3.46Å; K322-I326 VanDerWaalsContact O-CD1 3.29Å; K322-I326 WeakPolarHBondContact O-CD1 3.32Å; K322-I326 WeakPolarHBondContact O-CG1 3.37Å; K322-I326 PolarHBondContact O-N 2.86Å
323	L	83.8	Confident	81.3	Confident	7 Å²	7	51.8 Å²	51.8	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-44.4	176.6	-178.5	67.7	0	0	0	111.6	Y290 I294 R315 I316 S321 I326 V327	Y290-L323 HydrophobicContact CD1-CD1 4.01Å; Y290-L323 HydrophobicContact CD1-CD2 3.45Å; Y290-L323 VanDerWaalsContact CD1-CD2 3.45Å; Y290-L323 HydrophobicContact CD1-CG 4.36Å; Y290-L323 HydrophobicContact CE1-CD2 4.09Å; Y290-L323 HydrophobicContact CG-CD1 4.44Å; Y290-L323 HydrophobicContact CG-CD2 3.85Å; I294-L323 HydrophobicContact CD1-CB 4.39Å; I294-L323 HydrophobicContact CG1-CD1 4.44Å; R315-L323 HydrophobicContact CB-CD2 4.02Å; I316-L323 HydrophobicContact CG2-CD2 4.04Å; I316-L323 HydrophobicContact CG2-CG 4.42Å; S321-L323 PolarHBondContact O-N 3.15Å; S321-L323 PolarHBondContact OG-N 2.99Å; L323-I326 PolarHBondContact O-N 3.1Å; L323-V327 HydrophobicContact CD1-CG2 3.96Å; L323-V327 HydrophobicContact CG-CG2 4.27Å; L323-V327 WeakPolarHBondContact O-CB 3.27Å; L323-V327 WeakPolarHBondContact O-CG2 3.04Å; L323-V327 PolarHBondContact O-N 2.82Å
324	S	81.7	Confident	81.9	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.028	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-45.6	179.4	-163	0	0	0	0	110.6	S321 V327 R328	S321-S324 WeakPolarHBondContact O-CA 3.46Å; S321-S324 WeakPolarHBondContact O-CB 3.5Å; S321-S324 PolarHBondContact O-N 3.06Å; S324-V327 PolarHBondContact O-N 3.45Å; S324-R328 WeakPolarHBondContact O-CD 3.35Å; S324-R328 WeakPolarHBondContact O-CG 3.33Å; S324-R328 PolarHBondContact O-N 2.74Å; S324-R328 PolarHBondContact OG-NE 2.75Å
325	E	84.3	Confident	82.7	Confident	101 Å²	101	49 Å²	49	47%	0.472	22%	0.222	S	C	.	.	H	α-helix	trans	-57.7	-50.7	175.2	-66.3	172.3	179.9	0	0	112	S321 V327 R328 E329	S321-E325 PolarHBondContact O-N 3.23Å; S321-E325 VanDerWaalsContact O-N 3.11Å; E325-V327 PolarHBondContact O-N 2.77Å; E325-R328 WeakPolarHBondContact O-CB 3.21Å; E325-R328 PolarHBondContact O-N 3.46Å; E325-E329 PolarHBondContact O-N 3Å
326	I	87.2	Confident	83.7	Confident	12 Å²	12	42.6 Å²	42.6	6%	0.062	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-43.8	-178.3	-70.8	161.6	0	0	0	111.7	V293 I294 K297 K322 L323 R328 E329 F330	V293-I326 HydrophobicContact CG1-CG2 3.83Å; I294-I326 HydrophobicContact CB-CD1 4.13Å; I294-I326 HydrophobicContact CG1-CD1 3.88Å; I294-I326 HydrophobicContact CG2-CD1 4.11Å; K297-I326 HydrophobicContact CB-CG2 3.89Å; K297-I326 HydrophobicContact CD-CD1 4.35Å; K297-I326 HydrophobicContact CD-CG1 4.18Å; K322-I326 WeakPolarHBondContact O-CB 3.46Å; K322-I326 VanDerWaalsContact O-CD1 3.29Å; K322-I326 WeakPolarHBondContact O-CD1 3.32Å; K322-I326 WeakPolarHBondContact O-CG1 3.37Å; K322-I326 PolarHBondContact O-N 2.86Å; L323-I326 PolarHBondContact O-N 3.1Å; I326-R328 VanDerWaalsContact C-N 3.26Å; I326-R328 PolarHBondContact O-N 2.75Å; I326-E329 WeakPolarHBondContact O-CB 3.43Å; I326-E329 PolarHBondContact O-N 3.23Å; I326-E329 VanDerWaalsContact O-N 3.1Å; I326-F330 HydrophobicContact CG2-CE1 3.88Å; I326-F330 HydrophobicContact CG2-CE2 3.98Å; I326-F330 HydrophobicContact CG2-CZ 3.42Å; I326-F330 VanDerWaalsContact CG2-CZ 3.42Å
327	V	87.4	Confident	84.4	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-67.7	-30.1	-178.3	173.8	0	0	0	0	111.4	L238 L308 I310 L323 S324 E325 E329 F330 F356	L238-V327 HydrophobicContact CD1-CG2 3.81Å; L308-V327 HydrophobicContact CD1-CG1 4.19Å; L308-V327 HydrophobicContact CD2-CG1 3.9Å; I310-V327 HydrophobicContact CD1-CG1 4.04Å; L323-V327 HydrophobicContact CD1-CG2 3.96Å; L323-V327 HydrophobicContact CG-CG2 4.27Å; L323-V327 WeakPolarHBondContact O-CB 3.27Å; L323-V327 WeakPolarHBondContact O-CG2 3.04Å; L323-V327 PolarHBondContact O-N 2.82Å; S324-V327 PolarHBondContact O-N 3.45Å; E325-V327 PolarHBondContact O-N 2.77Å; V327-E329 VanDerWaalsContact C-N 3.28Å; V327-E329 PolarHBondContact O-N 3.13Å; V327-F330 PolarHBondContact O-N 3.33Å; V327-F356 HydrophobicContact CG1-CD2 4.42Å; V327-F356 HydrophobicContact CG1-CE2 3.68Å
328	R	82.5	Confident	85.2	Confident	71 Å²	71	41 Å²	41	27%	0.268	19%	0.191	S	C	.	.	H	α-helix	trans	-64	-33.3	172.2	-71.9	165.7	-167.5	-153.3	-7.9	112.3	S324 E325 I326 F330 N355	S324-R328 WeakPolarHBondContact O-CD 3.35Å; S324-R328 WeakPolarHBondContact O-CG 3.33Å; S324-R328 PolarHBondContact O-N 2.74Å; S324-R328 PolarHBondContact OG-NE 2.75Å; E325-R328 WeakPolarHBondContact O-CB 3.21Å; E325-R328 PolarHBondContact O-N 3.46Å; I326-R328 VanDerWaalsContact C-N 3.26Å; I326-R328 PolarHBondContact O-N 2.75Å; R328-F330 PolarHBondContact O-N 3.45Å; R328-N355 PolarHBondContact NE-OD1 3.37Å; R328-N355 VanDerWaalsContact NE-OD1 3.1Å; R328-N355 PolarHBondContact NH2-OD1 3Å
329	E	85.5	Confident	85.8	Confident	85 Å²	85	36.6 Å²	36.6	40%	0.397	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.5	176.1	-64.2	-174.9	-148.9	0	0	113.5	K301 E325 I326 V327	K301-E329 IonicContact NZ-OE2 2.85Å; K301-E329 PolarHBondContact NZ-OE2 3.19Å; E325-E329 PolarHBondContact O-N 3Å; I326-E329 WeakPolarHBondContact O-CB 3.43Å; I326-E329 PolarHBondContact O-N 3.23Å; I326-E329 VanDerWaalsContact O-N 3.1Å; V327-E329 VanDerWaalsContact C-N 3.28Å; V327-E329 PolarHBondContact O-N 3.13Å
330	F	89.6	Confident	85.8	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.018	17%	0.17	C	C	.	.	S	Bend	trans	-81.4	122.8	-177.6	-62.9	-21.2	0	0	0	112.5	M236 V293 F300 K301 L308 I326 V327 R328 S332 R335	M236-F330 HydrophobicContact CE-CD2 3.68Å; M236-F330 HydrophobicContact CE-CE2 3.98Å; V293-F330 HydrophobicContact CG1-CE2 3.48Å; V293-F330 VanDerWaalsContact CG1-CE2 3.48Å; V293-F330 HydrophobicContact CG1-CZ 3.66Å; F300-F330 HydrophobicContact CB-CE1 3.77Å; F300-F330 HydrophobicContact CB-CE2 4.02Å; F300-F330 HydrophobicContact CB-CZ 3.46Å; F300-F330 VanDerWaalsContact CB-CZ 3.46Å; F300-F330 HydrophobicContact CG-CZ 4.32Å; K301-F330 HydrophobicContact CB-CD1 4.38Å; K301-F330 HydrophobicContact CB-CE1 4.29Å; L308-F330 HydrophobicContact CD1-CB 4.34Å; L308-F330 HydrophobicContact CD1-CD2 4.31Å; I326-F330 HydrophobicContact CG2-CE1 3.88Å; I326-F330 HydrophobicContact CG2-CE2 3.98Å; I326-F330 HydrophobicContact CG2-CZ 3.42Å; I326-F330 VanDerWaalsContact CG2-CZ 3.42Å; V327-F330 PolarHBondContact O-N 3.33Å; R328-F330 PolarHBondContact O-N 3.45Å; F330-S332 PolarHBondContact O-N 2.9Å; F330-S332 PolarHBondContact O-OG 3.35Å; F330-R335 PolarHBondContact O-NH2 3.2Å
331	K	88.3	Confident	85.5	Confident	95 Å²	95	29.8 Å²	29.8	41%	0.413	14%	0.143	S	C	.	.			trans	-66.7	117.7	172.8	-63.9	-174.1	-178.8	-173.2	0	109.7	H304 W305	H304-K331 WeakPolarHBondContact CD2-CD 3.2Å; H304-K331 WeakPolarHBondContact NE2-CD 3.19Å; H304-K331 PolarHBondContact NE2-NZ 3.45Å; W305-K331 PolarHBondContact N-O 3.05Å
332	S	89.8	Confident	84.6	Confident	10 Å²	10	29 Å²	29	7%	0.07	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.3	179.7	35.8	0	0	0	0	110.9	W305 F330 R335	W305-S332 CarbonylContact O-C 3.57Å; W305-S332 WeakPolarHBondContact O-CA 3.36Å; F330-S332 PolarHBondContact O-N 2.9Å; F330-S332 PolarHBondContact O-OG 3.35Å; S332-R335 PolarHBondContact OG-NE 3.32Å; S332-R335 PolarHBondContact OG-NH2 3.27Å
333	T	87.9	Confident	83.7	Confident	4 Å²	4	23.3 Å²	23.3	3%	0.025	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-43.5	174.7	70.1	0	0	0	0	112.2	Y83 M87 W305 R306	Y83-T333 HydrophobicContact CD2-CG2 3.59Å; Y83-T333 HydrophobicContact CE2-CG2 3.33Å; M87-T333 HydrophobicContact SD-CG2 4.25Å; W305-T333 PolarHBondContact O-N 2.87Å; R306-T333 PolarHBondContact O-OG1 3.13Å
334	N	91	Very high	82.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	150	-177.9	-70.2	-80	0	0	0	110.6	Y198 N203 R306 Y307 L308	Y198-N334 HydrophobicContact CD2-CB 4.47Å; Y198-N334 WeakPolarHBondContact CE2-ND2 3.48Å; N203-N334 WeakPolarHBondContact OD1-CA 3.43Å; R306-N334 PolarHBondContact O-N 3.2Å; Y307-N334 WeakPolarHBondContact CA-O 3.41Å; Y307-N334 HydrophobicContact CD2-CB 3.65Å; Y307-N334 HydrophobicContact CE1-CB 4.38Å; Y307-N334 HydrophobicContact CE2-CB 3.53Å; Y307-N334 HydrophobicContact CG-CB 4.19Å; L308-N334 PolarHBondContact N-O 2.65Å
335	R	93	Very high	81.5	Confident	16 Å²	16	27 Å²	27	6%	0.06	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.6	-175	-59	178.7	174.8	178.9	-3.2	110.7	N203 G204 L308 F330 S332 F356	N203-R335 WeakPolarHBondContact CA-O 3.45Å; N203-R335 HydrophobicContact CB-CB 4.32Å; N203-R335 WeakPolarHBondContact CB-O 3.43Å; N203-R335 PolarHBondContact OD1-N 2.92Å; N203-R335 PolarHBondContact OD1-O 3.25Å; G204-R335 PolarHBondContact N-O 3.45Å; L308-R335 HydrophobicContact CB-CG 4.34Å; L308-R335 CarbonylContact O-C 3.45Å; L308-R335 VanDerWaalsContact O-CA 3.27Å; L308-R335 WeakPolarHBondContact O-CA 3.38Å; F330-R335 PolarHBondContact O-NH2 3.2Å; S332-R335 PolarHBondContact OG-NE 3.32Å; S332-R335 PolarHBondContact OG-NH2 3.27Å; R335-F356 HydrophobicContact CB-CD1 4.4Å; R335-F356 HydrophobicContact CB-CE1 3.57Å; R335-F356 HydrophobicContact CB-CZ 3.82Å; R335-F356 VanDerWaalsContact CD-O 3.24Å; R335-F356 WeakPolarHBondContact CD-O 3.45Å; R335-F356 HydrophobicContact CG-CE1 4.32Å; R335-F356 HydrophobicContact CG-CZ 4.17Å; R335-F356 PolarHBondContact NH1-O 2.95Å; R335-F356 VanDerWaalsContact NH1-O 3.1Å
336	L	94.3	Very high	80.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.3	176.7	173.9	64.8	0	0	0	110.5	L194 G204 L206 T218 L221 Y307 L308 V309 I310 L338	L194-L336 HydrophobicContact CD2-CD1 3.72Å; L194-L336 HydrophobicContact CD2-CD2 4.05Å; G204-L336 WeakPolarHBondContact O-CA 3.5Å; G204-L336 WeakPolarHBondContact O-CD1 3.42Å; L206-L336 HydrophobicContact CB-CD1 4.15Å; T218-L336 HydrophobicContact CG2-CD2 3.82Å; L221-L336 HydrophobicContact CD2-CD2 4.48Å; Y307-L336 HydrophobicContact CE1-CB 3.53Å; L308-L336 PolarHBondContact O-N 3.01Å; V309-L336 WeakPolarHBondContact CA-O 3.41Å; V309-L336 HydrophobicContact CG2-CB 4.45Å; I310-L336 PolarHBondContact N-O 3.49Å; L336-L338 HydrophobicContact CD1-CD2 4.18Å; L336-L338 HydrophobicContact CD2-CD2 3.77Å; L336-L338 HydrophobicContact CG-CD2 3.74Å
337	L	92.7	Very high	79.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.9	171.5	-62	-179.5	0	0	0	109.8	G204 I205 L206 I310 A313 I316 L353 F356	G204-L337 PolarHBondContact O-N 3.38Å; I205-L337 CarbonylContact C-O 3.55Å; I205-L337 WeakPolarHBondContact CA-O 3.37Å; I205-L337 HydrophobicContact CB-CB 4.44Å; I205-L337 HydrophobicContact CD1-CD1 4.18Å; I205-L337 HydrophobicContact CG1-CB 4.14Å; I205-L337 HydrophobicContact CG1-CD1 4.13Å; I205-L337 HydrophobicContact CG2-CB 4.17Å; L206-L337 PolarHBondContact N-O 3.48Å; I310-L337 HydrophobicContact CB-CD2 3.74Å; I310-L337 HydrophobicContact CD1-CD2 4.04Å; I310-L337 HydrophobicContact CG1-CD2 4.15Å; I310-L337 HydrophobicContact CG2-CD2 4.37Å; A313-L337 HydrophobicContact CB-CB 3.87Å; A313-L337 HydrophobicContact CB-CD1 4.41Å; A313-L337 HydrophobicContact CB-CD2 3.94Å; A313-L337 HydrophobicContact CB-CG 4.29Å; I316-L337 HydrophobicContact CD1-CD1 3.67Å; I316-L337 HydrophobicContact CD1-CD2 3.39Å; I316-L337 HydrophobicContact CD1-CG 4.18Å; I316-L337 HydrophobicContact CG1-CD2 4.41Å; L337-L353 HydrophobicContact CD1-CD2 3.45Å; L337-L353 VanDerWaalsContact CD1-CD2 3.45Å; L337-F356 HydrophobicContact CD1-CD1 3.67Å; L337-F356 HydrophobicContact CD1-CE1 4.09Å; L337-F356 HydrophobicContact CD1-CG 4.4Å; L337-F356 HydrophobicContact CD2-CD1 3.61Å; L337-F356 HydrophobicContact CD2-CE1 3.21Å; L337-F356 HydrophobicContact CD2-CE2 4.43Å; L337-F356 HydrophobicContact CD2-CG 4.36Å; L337-F356 HydrophobicContact CD2-CZ 3.67Å; L337-F356 HydrophobicContact CG-CD1 3.63Å; L337-F356 HydrophobicContact CG-CE1 3.5Å; L337-F356 VanDerWaalsContact CG-CE1 3.5Å; L337-F356 HydrophobicContact CG-CZ 4.43Å
338	L	91.5	Very high	79.2	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.3	169.9	-42.4	175.3	0	0	0	108.3	L206 K214 T218 W247 V309 I310 D311 E312 A313 L336	L206-L338 HydrophobicContact CB-CD2 3.76Å; L206-L338 HydrophobicContact CD2-CD2 4.1Å; L206-L338 HydrophobicContact CG-CD2 4.44Å; L206-L338 WeakPolarHBondContact O-CA 3.47Å; K214-L338 HydrophobicContact CD-CB 4.45Å; T218-L338 WeakPolarHBondContact OG1-CD2 3.4Å; W247-L338 HydrophobicContact CH2-CD1 3.69Å; W247-L338 HydrophobicContact CZ2-CD1 3.6Å; V309-L338 HydrophobicContact CG1-CD1 3.91Å; V309-L338 HydrophobicContact CG1-CG 4.12Å; I310-L338 PolarHBondContact O-N 3Å; D311-L338 CarbonylContact C-O 3.58Å; D311-L338 HydrophobicContact CB-CD1 4.36Å; E312-L338 WeakPolarHBondContact CA-O 3.47Å; E312-L338 PolarHBondContact N-O 2.74Å; A313-L338 WeakPolarHBondContact CB-O 3.25Å; A313-L338 PolarHBondContact N-O 3.04Å; L336-L338 HydrophobicContact CD1-CD2 4.18Å; L336-L338 HydrophobicContact CD2-CD2 3.77Å; L336-L338 HydrophobicContact CG-CD2 3.74Å
339	T	85.2	Confident	78.9	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.012	13%	0.127	C	C	.	.			trans	-144.8	142.3	174.5	177.1	0	0	0	0	109.7	I205 L206 A207 K214 T341	I205-T339 HydrophobicContact CG2-CG2 4.05Å; L206-T339 PolarHBondContact O-N 2.89Å; A207-T339 CarbonylContact C-O 3.52Å; A207-T339 VanDerWaalsContact CA-O 3.29Å; A207-T339 WeakPolarHBondContact CA-O 3.24Å; A207-T339 HydrophobicContact CB-CG2 3.77Å; K214-T339 WeakPolarHBondContact CE-O 3.37Å; T339-T341 PolarHBondContact OG1-N 2.8Å; T339-T341 PolarHBondContact OG1-O 3.03Å; T339-T341 VanDerWaalsContact OG1-O 3.11Å; T339-T341 PolarHBondContact OG1-OG1 2.62Å; T339-T341 VanDerWaalsContact OG1-OG1 3.05Å
340	G	70.6	Confident	78.4	Confident	14 Å²	14	21.1 Å²	21.1	14%	0.144	11%	0.108	C	C	.	.	S	Bend	trans	-92.2	-14.6	165.2	0	0	0	0	0	113.3
341	T	66.7	Low	77.9	Confident	15 Å²	15	21.1 Å²	21.1	9%	0.092	11%	0.108	C	C	.	.	S	Bend	trans	-97	144.4	-171	62	0	0	0	0	111.4	T339 Q599	T339-T341 PolarHBondContact OG1-N 2.8Å; T339-T341 PolarHBondContact OG1-O 3.03Å; T339-T341 VanDerWaalsContact OG1-O 3.11Å; T339-T341 PolarHBondContact OG1-OG1 2.62Å; T339-T341 VanDerWaalsContact OG1-OG1 3.05Å; T341-Q599 VanDerWaalsContact CG2-OE1 3.3Å
342	P	61.3	Low	77.6	Confident	21 Å²	21	16.7 Å²	16.7	14%	0.136	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-59.5	148.1	172.7	24.2	-31.6	0	0	0	111.4	K317 I647	K317-P342 PolarHBondContact NZ-O 3.1Å; P342-I647 HydrophobicContact CB-CD1 4.14Å; P342-I647 HydrophobicContact CB-CG1 4.19Å; P342-I647 HydrophobicContact CG-CD1 4.38Å
343	L	64.1	Low	77.1	Confident	27 Å²	27	16.3 Å²	16.3	14%	0.141	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-70.5	135.5	170.5	-60.2	-179.3	0	0	0	108.6	L353 L395	L343-L353 HydrophobicContact CD1-CD1 4.34Å; L343-L353 HydrophobicContact CD2-CD1 3.51Å; L343-L353 HydrophobicContact CG-CD1 4.45Å; L343-L395 HydrophobicContact CD1-CD1 4.29Å; L343-L395 HydrophobicContact CD1-CD2 4.13Å
344	Q	60.5	Low	76.7	Confident	57 Å²	57	16.1 Å²	16.1	27%	0.266	9%	0.085	S	C	.	.	P	Polyproline II helix	trans	-94.3	160.7	179	-56	-169.4	-13.3	0	0	111	N346 E349 N658	Q344-N346 PolarHBondContact O-N 2.98Å; Q344-E349 WeakPolarHBondContact CB-OE2 3.35Å; Q344-E349 PolarHBondContact N-OE1 3.13Å; Q344-E349 VanDerWaalsContact N-OE1 3.15Å; Q344-N658 PolarHBondContact NE2-ND2 3.34Å
345	N	58.6	Low	76.3	Confident	31 Å²	31	16.5 Å²	16.5	17%	0.166	9%	0.087	C	C	.	.			trans	-80.4	59.5	174	-52	-3.8	0	0	0	112.5	V384 L652 I653	N345-V384 HydrophobicContact CB-CG1 4.49Å; N345-L652 HydrophobicContact CB-CD2 4.34Å; N345-L652 VanDerWaalsContact CG-CD2 3.42Å; N345-L652 WeakPolarHBondContact ND2-CA 3.1Å; N345-L652 WeakPolarHBondContact ND2-CB 3.29Å; N345-L652 WeakPolarHBondContact OD1-CA 2.99Å; N345-L652 VanDerWaalsContact OD1-CD2 3.26Å; N345-L652 WeakPolarHBondContact OD1-CD2 3.4Å; N345-I653 WeakPolarHBondContact CB-O 3.41Å; N345-I653 VanDerWaalsContact CG-C 3.44Å; N345-I653 PolarHBondContact N-O 2.8Å; N345-I653 WeakPolarHBondContact ND2-CA 3.16Å; N345-I653 PolarHBondContact ND2-N 3.38Å; N345-I653 PolarHBondContact ND2-O 3.17Å; N345-I653 PolarHBondContact OD1-N 3.43Å
346	N	66.2	Low	75.8	Confident	41 Å²	41	16 Å²	16	22%	0.219	9%	0.086	C	C	.	.			trans	-104.5	120.9	164.7	-178.6	-39.3	0	0	0	107.7	Q344 H348 E349 L350 Q655	Q344-N346 PolarHBondContact O-N 2.98Å; N346-H348 PolarHBondContact O-N 3.26Å; N346-H348 WeakPolarHBondContact OD1-CA 3.28Å; N346-H348 WeakPolarHBondContact OD1-CB 3.5Å; N346-H348 PolarHBondContact OD1-N 3.42Å; N346-E349 HydrophobicContact CB-CB 3.67Å; N346-E349 CarbonylContact O-C 3.49Å; N346-E349 WeakPolarHBondContact O-CA 3.43Å; N346-E349 WeakPolarHBondContact O-CB 3.31Å; N346-E349 PolarHBondContact O-N 3.42Å; N346-E349 PolarHBondContact OD1-N 3.06Å; N346-E349 VanDerWaalsContact OD1-N 3.16Å; N346-L350 WeakPolarHBondContact O-CG 3.26Å; N346-L350 PolarHBondContact O-N 3.36Å; N346-Q655 HydrophobicContact CB-CG 4.14Å; N346-Q655 PolarHBondContact ND2-NE2 3.32Å; N346-Q655 VanDerWaalsContact ND2-NE2 3.15Å; N346-Q655 PolarHBondContact ND2-OE1 2.91Å
347	L	68.2	Low	75.1	Confident	35 Å²	35	16 Å²	16	18%	0.183	9%	0.086	C	C	.	.	H	α-helix	trans	-53.2	-45.3	180	-161.9	100.6	0	0	0	111.1	L350 W351 F368 F372 V384 L387	L347-L350 PolarHBondContact O-N 3.22Å; L347-W351 WeakPolarHBondContact O-CB 3.24Å; L347-W351 PolarHBondContact O-N 3.14Å; L347-F368 HydrophobicContact CD2-CD1 4.04Å; L347-F368 HydrophobicContact CD2-CE1 3.61Å; L347-F368 HydrophobicContact CG-CE1 3.81Å; L347-F372 HydrophobicContact CD1-CD1 3.92Å; L347-F372 HydrophobicContact CD1-CE1 3.37Å; L347-F372 HydrophobicContact CD1-CZ 3.89Å; L347-F372 HydrophobicContact CD2-CD1 4.07Å; L347-F372 HydrophobicContact CD2-CD2 3.94Å; L347-F372 HydrophobicContact CD2-CE1 3.92Å; L347-F372 HydrophobicContact CD2-CE2 3.92Å; L347-F372 HydrophobicContact CD2-CG 4.14Å; L347-F372 HydrophobicContact CD2-CZ 3.91Å; L347-F372 HydrophobicContact CG-CE1 4.11Å; L347-F372 HydrophobicContact CG-CZ 4.2Å; L347-V384 HydrophobicContact CD1-CG2 4.46Å; L347-L387 HydrophobicContact CD1-CD1 4.15Å
348	H	76.1	Confident	74.5	Confident	67 Å²	67	16.2 Å²	16.2	31%	0.31	9%	0.087	S	C	.	.	H	α-helix	trans	-70.1	-29.6	175.7	-62.9	-75.9	0	0	0	112.8	E319 N346 A352 D369	E319-H348 IonicContact OE1-ND1 2.8Å; E319-H348 PolarHBondContact OE1-ND1 3.27Å; E319-H348 IonicContact OE2-ND1 3.13Å; N346-H348 PolarHBondContact O-N 3.26Å; N346-H348 WeakPolarHBondContact OD1-CA 3.28Å; N346-H348 WeakPolarHBondContact OD1-CB 3.5Å; N346-H348 PolarHBondContact OD1-N 3.42Å; H348-A352 WeakPolarHBondContact O-CB 3.31Å; H348-A352 PolarHBondContact O-N 3.44Å; H348-D369 IonicContact CE1-OD1 3.08Å; H348-D369 PolarHBondContact CE1-OD1 3.48Å; H348-D369 IonicContact CE1-OD2 2.77Å; H348-D369 PolarHBondContact CE1-OD2 3.28Å
349	E	75.8	Confident	73.6	Confident	4 Å²	4	18.3 Å²	18.3	2%	0.019	10%	0.1	C	C	.	.	H	α-helix	trans	-66.2	-48.3	171.2	175.3	177.6	158.6	0	0	110.9	K317 Q344 N346 W351 A352 L353	K317-E349 HydrophobicContact CB-CB 4.5Å; K317-E349 HydrophobicContact CB-CG 3.77Å; K317-E349 VanDerWaalsContact CD-CD 3.42Å; K317-E349 HydrophobicContact CD-CG 4.12Å; K317-E349 WeakPolarHBondContact CD-OE1 3.21Å; K317-E349 WeakPolarHBondContact CE-OE1 3.47Å; K317-E349 HydrophobicContact CG-CG 3.73Å; K317-E349 IonicContact NZ-OE1 2.78Å; K317-E349 PolarHBondContact NZ-OE1 3.46Å; K317-E349 IonicContact NZ-OE2 3.8Å; K317-E349 WeakPolarHBondContact O-CA 3.38Å; Q344-E349 WeakPolarHBondContact CB-OE2 3.35Å; Q344-E349 PolarHBondContact N-OE1 3.13Å; Q344-E349 VanDerWaalsContact N-OE1 3.15Å; N346-E349 HydrophobicContact CB-CB 3.67Å; N346-E349 CarbonylContact O-C 3.49Å; N346-E349 WeakPolarHBondContact O-CA 3.43Å; N346-E349 WeakPolarHBondContact O-CB 3.31Å; N346-E349 PolarHBondContact O-N 3.42Å; N346-E349 PolarHBondContact OD1-N 3.06Å; N346-E349 VanDerWaalsContact OD1-N 3.16Å; E349-W351 VanDerWaalsContact C-N 3.32Å; E349-W351 PolarHBondContact O-N 3.33Å; E349-A352 PolarHBondContact O-N 3.03Å; E349-L353 HydrophobicContact CG-CD1 4.16Å; E349-L353 VanDerWaalsContact O-CG 3.25Å; E349-L353 WeakPolarHBondContact O-CG 3.42Å; E349-L353 PolarHBondContact O-N 3.34Å
350	L	75.1	Confident	73.1	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-40.9	177.8	-66	174.9	0	0	0	110.9	N346 L347 L353 L354 V384 L387 L391	N346-L350 WeakPolarHBondContact O-CG 3.26Å; N346-L350 PolarHBondContact O-N 3.36Å; L347-L350 PolarHBondContact O-N 3.22Å; L350-L353 PolarHBondContact O-N 3.48Å; L350-L354 WeakPolarHBondContact O-CB 3.32Å; L350-L354 VanDerWaalsContact O-CG 3.31Å; L350-L354 WeakPolarHBondContact O-CG 3.49Å; L350-L354 PolarHBondContact O-N 2.93Å; L350-V384 HydrophobicContact CD1-CG1 3.46Å; L350-V384 VanDerWaalsContact CD1-CG1 3.46Å; L350-L387 HydrophobicContact CD1-CB 4.34Å; L350-L387 HydrophobicContact CD1-CD1 4.37Å; L350-L391 HydrophobicContact CD2-CD1 3.63Å
351	W	80.1	Confident	73.1	Confident	5 Å²	5	21.9 Å²	21.9	2%	0.019	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-47	172.6	-177.5	83.8	0	0	0	111.9	E319 L347 E349 L353 L354 N355 F362 S364 A365 F368	E319-W351 HydrophobicContact CB-CE3 4.12Å; E319-W351 HydrophobicContact CB-CZ3 3.79Å; E319-W351 HydrophobicContact CG-CZ3 4.43Å; E319-W351 WeakPolarHBondContact OE2-CZ3 3.33Å; L347-W351 WeakPolarHBondContact O-CB 3.24Å; L347-W351 PolarHBondContact O-N 3.14Å; E349-W351 VanDerWaalsContact C-N 3.32Å; E349-W351 PolarHBondContact O-N 3.33Å; W351-L353 PolarHBondContact O-N 3.21Å; W351-L354 CarbonylContact O-C 3.54Å; W351-L354 PolarHBondContact O-N 3.03Å; W351-L354 VanDerWaalsContact O-N 3.1Å; W351-N355 HydrophobicContact CD2-CB 4.32Å; W351-N355 HydrophobicContact CE3-CB 4.38Å; W351-N355 HydrophobicContact CH2-CB 4.18Å; W351-N355 HydrophobicContact CZ2-CB 4.03Å; W351-N355 HydrophobicContact CZ3-CB 4.36Å; W351-N355 VanDerWaalsContact O-CB 3.29Å; W351-N355 WeakPolarHBondContact O-CB 3.26Å; W351-N355 PolarHBondContact O-N 2.9Å; W351-F362 WeakPolarHBondContact CZ2-O 3.35Å; W351-S364 PolarHBondContact NE1-O 2.82Å; W351-A365 HydrophobicContact CD2-CB 4.29Å; W351-A365 HydrophobicContact CE3-CB 4.18Å; W351-A365 HydrophobicContact CH2-CB 3.78Å; W351-A365 HydrophobicContact CZ2-CB 3.94Å; W351-A365 HydrophobicContact CZ3-CB 3.88Å; W351-F368 HydrophobicContact CB-CD1 3.89Å; W351-F368 HydrophobicContact CB-CE1 3.63Å; W351-F368 HydrophobicContact CB-CZ 4.1Å; W351-F368 AromaticContact CD1-CD1 3.36Å; W351-F368 AromaticContact CD1-CD2 3.44Å; W351-F368 VanDerWaalsContact CD1-CD2 3.44Å; W351-F368 AromaticContact CD1-CE1 3.74Å; W351-F368 AromaticContact CD1-CE2 3.83Å; W351-F368 AromaticContact CD1-CG 3.17Å; W351-F368 AromaticContact CD1-CZ 3.95Å; W351-F368 HydrophobicContact CG-CB 4.49Å; W351-F368 AromaticContact CG-CD1 3.78Å; W351-F368 HydrophobicContact CG-CD1 3.78Å; W351-F368 AromaticContact CG-CE1 3.99Å; W351-F368 HydrophobicContact CG-CE1 3.99Å; W351-F368 HydrophobicContact CG-CG 4.04Å; W351-F368 HydrophobicContact CG-CZ 4.43Å; W351-F368 AromaticContact NE1-CG 3.7Å
352	A	80.1	Confident	73.5	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-58.3	-38.9	178.9	0	0	0	0	0	111.6	E319 H348 E349 F356	E319-A352 HydrophobicContact CB-CB 4.13Å; H348-A352 WeakPolarHBondContact O-CB 3.31Å; H348-A352 PolarHBondContact O-N 3.44Å; E349-A352 PolarHBondContact O-N 3.03Å; A352-F356 VanDerWaalsContact O-CB 3.28Å; A352-F356 WeakPolarHBondContact O-CB 3.47Å; A352-F356 PolarHBondContact O-N 3.25Å
353	L	80.6	Confident	74.1	Confident	3 Å²	3	25.7 Å²	25.7	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-69.2	-44.9	174.2	-65.7	168	0	0	0	111.8	I316 L337 L343 E349 L350 W351 F356 L357	I316-L353 HydrophobicContact CD1-CD2 4.16Å; L337-L353 HydrophobicContact CD1-CD2 3.45Å; L337-L353 VanDerWaalsContact CD1-CD2 3.45Å; L343-L353 HydrophobicContact CD1-CD1 4.34Å; L343-L353 HydrophobicContact CD2-CD1 3.51Å; L343-L353 HydrophobicContact CG-CD1 4.45Å; E349-L353 HydrophobicContact CG-CD1 4.16Å; E349-L353 VanDerWaalsContact O-CG 3.25Å; E349-L353 WeakPolarHBondContact O-CG 3.42Å; E349-L353 PolarHBondContact O-N 3.34Å; L350-L353 PolarHBondContact O-N 3.48Å; W351-L353 PolarHBondContact O-N 3.21Å; L353-F356 WeakPolarHBondContact O-CB 3.47Å; L353-F356 PolarHBondContact O-N 3.36Å; L353-L357 VanDerWaalsContact O-CG 3.29Å; L353-L357 WeakPolarHBondContact O-CG 3.19Å; L353-L357 PolarHBondContact O-N 3.41Å
354	L	79.7	Confident	74.6	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-43.1	177.8	-78.7	169.9	0	0	0	112.3	L350 W351 F356 L357 L358 F362 L387 V390 L391	L350-L354 WeakPolarHBondContact O-CB 3.32Å; L350-L354 VanDerWaalsContact O-CG 3.31Å; L350-L354 WeakPolarHBondContact O-CG 3.49Å; L350-L354 PolarHBondContact O-N 2.93Å; W351-L354 CarbonylContact O-C 3.54Å; W351-L354 PolarHBondContact O-N 3.03Å; W351-L354 VanDerWaalsContact O-N 3.1Å; L354-F356 VanDerWaalsContact C-N 3.29Å; L354-F356 PolarHBondContact O-N 3.03Å; L354-L357 PolarHBondContact O-N 3.49Å; L354-L358 CarbonylContact O-C 3.54Å; L354-L358 WeakPolarHBondContact O-CA 3.46Å; L354-L358 WeakPolarHBondContact O-CB 3.41Å; L354-L358 PolarHBondContact O-N 3.33Å; L354-F362 HydrophobicContact CB-CD2 3.89Å; L354-F362 HydrophobicContact CB-CE2 4.14Å; L354-F362 HydrophobicContact CB-CG 4.09Å; L354-F362 HydrophobicContact CD1-CE1 4.33Å; L354-F362 HydrophobicContact CD1-CE2 4.44Å; L354-F362 HydrophobicContact CD1-CZ 4.16Å; L354-F362 HydrophobicContact CD2-CE2 4.12Å; L354-F362 HydrophobicContact CG-CE2 4.48Å; L354-L387 HydrophobicContact CD1-CD2 3.83Å; L354-V390 HydrophobicContact CD2-CG1 3.96Å; L354-L391 HydrophobicContact CD2-CD2 3.47Å; L354-L391 VanDerWaalsContact CD2-CD2 3.47Å; L354-L391 HydrophobicContact CD2-CG 3.82Å; L354-L391 HydrophobicContact CG-CD2 3.88Å; L354-L391 HydrophobicContact CG-CG 4.14Å
355	N	81.4	Confident	75.1	Confident	8 Å²	8	24 Å²	24	4%	0.043	13%	0.133	C	C	.	.	H	α-helix	trans	-58.9	-41.9	170.5	169.8	-90.6	0	0	0	111	R328 W351 L358 P359 F362	R328-N355 PolarHBondContact NE-OD1 3.37Å; R328-N355 VanDerWaalsContact NE-OD1 3.1Å; R328-N355 PolarHBondContact NH2-OD1 3Å; W351-N355 HydrophobicContact CD2-CB 4.32Å; W351-N355 HydrophobicContact CE3-CB 4.38Å; W351-N355 HydrophobicContact CH2-CB 4.18Å; W351-N355 HydrophobicContact CZ2-CB 4.03Å; W351-N355 HydrophobicContact CZ3-CB 4.36Å; W351-N355 VanDerWaalsContact O-CB 3.29Å; W351-N355 WeakPolarHBondContact O-CB 3.26Å; W351-N355 PolarHBondContact O-N 2.9Å; N355-L358 CarbonylContact O-C 3.57Å; N355-P359 WeakPolarHBondContact O-CA 2.98Å; N355-P359 WeakPolarHBondContact O-CB 3.48Å; N355-P359 VanDerWaalsContact O-CD 3.3Å; N355-P359 WeakPolarHBondContact O-CD 3.34Å; N355-F362 HydrophobicContact CB-CB 4.32Å; N355-F362 VanDerWaalsContact CB-O 3.31Å; N355-F362 WeakPolarHBondContact CB-O 3.39Å; N355-F362 PolarHBondContact ND2-O 3.37Å
356	F	82.2	Confident	75.8	Confident	5 Å²	5	28.3 Å²	28.3	2%	0.022	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-42.8	178.2	-178.1	-91.4	0	0	0	112.1	L308 I310 I316 V327 R335 L337 A352 L353 L354	L308-F356 HydrophobicContact CD2-CE2 3.93Å; L308-F356 HydrophobicContact CD2-CZ 3.6Å; I310-F356 HydrophobicContact CD1-CD2 4.4Å; I310-F356 HydrophobicContact CD1-CE1 4.49Å; I310-F356 HydrophobicContact CD1-CE2 3.44Å; I310-F356 VanDerWaalsContact CD1-CE2 3.44Å; I310-F356 HydrophobicContact CD1-CZ 3.48Å; I310-F356 VanDerWaalsContact CD1-CZ 3.48Å; I310-F356 HydrophobicContact CG1-CE2 4.41Å; I310-F356 HydrophobicContact CG1-CZ 4Å; I316-F356 HydrophobicContact CD1-CB 4.43Å; I316-F356 HydrophobicContact CD1-CD1 4.42Å; I316-F356 HydrophobicContact CD1-CD2 4.21Å; I316-F356 HydrophobicContact CD1-CG 4.08Å; V327-F356 HydrophobicContact CG1-CD2 4.42Å; V327-F356 HydrophobicContact CG1-CE2 3.68Å; R335-F356 HydrophobicContact CB-CD1 4.4Å; R335-F356 HydrophobicContact CB-CE1 3.57Å; R335-F356 HydrophobicContact CB-CZ 3.82Å; R335-F356 VanDerWaalsContact CD-O 3.24Å; R335-F356 WeakPolarHBondContact CD-O 3.45Å; R335-F356 HydrophobicContact CG-CE1 4.32Å; R335-F356 HydrophobicContact CG-CZ 4.17Å; R335-F356 PolarHBondContact NH1-O 2.95Å; R335-F356 VanDerWaalsContact NH1-O 3.1Å; L337-F356 HydrophobicContact CD1-CD1 3.67Å; L337-F356 HydrophobicContact CD1-CE1 4.09Å; L337-F356 HydrophobicContact CD1-CG 4.4Å; L337-F356 HydrophobicContact CD2-CD1 3.61Å; L337-F356 HydrophobicContact CD2-CE1 3.21Å; L337-F356 HydrophobicContact CD2-CE2 4.43Å; L337-F356 HydrophobicContact CD2-CG 4.36Å; L337-F356 HydrophobicContact CD2-CZ 3.67Å; L337-F356 HydrophobicContact CG-CD1 3.63Å; L337-F356 HydrophobicContact CG-CE1 3.5Å; L337-F356 VanDerWaalsContact CG-CE1 3.5Å; L337-F356 HydrophobicContact CG-CZ 4.43Å; A352-F356 VanDerWaalsContact O-CB 3.28Å; A352-F356 WeakPolarHBondContact O-CB 3.47Å; A352-F356 PolarHBondContact O-N 3.25Å; L353-F356 WeakPolarHBondContact O-CB 3.47Å; L353-F356 PolarHBondContact O-N 3.36Å; L354-F356 VanDerWaalsContact C-N 3.29Å; L354-F356 PolarHBondContact O-N 3.03Å
357	L	81	Confident	76	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-76.9	-34.3	179.1	-66.6	175.9	0	0	0	113.3	N203 I205 L353 L354 L391 F394	N203-L357 HydrophobicContact CB-CB 4.2Å; N203-L357 HydrophobicContact CB-CD2 3.61Å; N203-L357 PolarHBondContact ND2-O 3.07Å; I205-L357 HydrophobicContact CD1-CD1 3.81Å; I205-L357 HydrophobicContact CG1-CD1 3.86Å; I205-L357 HydrophobicContact CG1-CD2 4Å; I205-L357 HydrophobicContact CG1-CG 4.35Å; L353-L357 VanDerWaalsContact O-CG 3.29Å; L353-L357 WeakPolarHBondContact O-CG 3.19Å; L353-L357 PolarHBondContact O-N 3.41Å; L354-L357 PolarHBondContact O-N 3.49Å; L357-L391 HydrophobicContact CD1-CD2 3.88Å; L357-F394 HydrophobicContact CD1-CB 4.09Å; L357-F394 HydrophobicContact CD1-CD2 4.19Å; L357-F394 HydrophobicContact CD1-CG 4.39Å
358	L	79.5	Confident	76.1	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.163	C	C	.	.			trans	-138.9	65.3	-172.7	-64.9	174.4	0	0	0	110	R94 L98 F105 L354 N355 D360 V361 F362 F394	R94-L358 HydrophobicContact CG-CD2 4.35Å; L98-L358 HydrophobicContact CD1-CD1 4.22Å; L98-L358 HydrophobicContact CD1-CD2 4.09Å; F105-L358 HydrophobicContact CE1-CD1 4.02Å; L354-L358 CarbonylContact O-C 3.54Å; L354-L358 WeakPolarHBondContact O-CA 3.46Å; L354-L358 WeakPolarHBondContact O-CB 3.41Å; L354-L358 PolarHBondContact O-N 3.33Å; N355-L358 CarbonylContact O-C 3.57Å; L358-D360 PolarHBondContact O-N 3.32Å; L358-V361 HydrophobicContact CB-CB 4.3Å; L358-V361 HydrophobicContact CB-CG2 4.43Å; L358-V361 PolarHBondContact O-N 2.91Å; L358-F362 HydrophobicContact CB-CD2 4.04Å; L358-F362 HydrophobicContact CB-CE2 4.49Å; L358-F362 HydrophobicContact CD1-CE2 4.19Å; L358-F362 PolarHBondContact O-N 2.86Å; L358-F394 HydrophobicContact CD1-CE2 4.06Å; L358-F394 HydrophobicContact CD1-CZ 3.95Å
359	P	73.3	Confident	75.8	Confident	43 Å²	43	28.7 Å²	28.7	28%	0.279	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.7	-176.1	24.1	-33.5	0	0	0	112.5	N355 V361 N363	N355-P359 WeakPolarHBondContact O-CA 2.98Å; N355-P359 WeakPolarHBondContact O-CB 3.48Å; N355-P359 VanDerWaalsContact O-CD 3.3Å; N355-P359 WeakPolarHBondContact O-CD 3.34Å; P359-V361 VanDerWaalsContact C-N 3.32Å; P359-V361 PolarHBondContact O-N 3.46Å; P359-N363 WeakPolarHBondContact O-CB 3.37Å
360	D	73.1	Confident	75.3	Confident	64 Å²	64	31.1 Å²	31.1	34%	0.342	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-31.3	177.1	-70	-28.4	0	0	0	113.4	R91 R94 L358	R91-D360 IonicContact CZ-OD1 3.72Å; R91-D360 IonicContact CZ-OD2 2.63Å; R91-D360 IonicContact NE-OD2 3.16Å; R91-D360 PolarHBondContact NE-OD2 3.35Å; R91-D360 IonicContact NH2-OD1 3.15Å; R91-D360 PolarHBondContact NH2-OD1 2.99Å; R91-D360 IonicContact NH2-OD2 2.98Å; R91-D360 PolarHBondContact NH2-OD2 3.28Å; R94-D360 IonicContact NH1-OD2 2.81Å; R94-D360 PolarHBondContact NH1-OD2 2.99Å; L358-D360 PolarHBondContact O-N 3.32Å
361	V	72.4	Confident	74.6	Confident	28 Å²	28	33.8 Å²	33.8	17%	0.17	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-39	-174.5	-178.4	0	0	0	0	110.9	I109 L358 P359	I109-V361 HydrophobicContact CG1-CG1 4.36Å; L358-V361 HydrophobicContact CB-CB 4.3Å; L358-V361 HydrophobicContact CB-CG2 4.43Å; L358-V361 PolarHBondContact O-N 2.91Å; P359-V361 VanDerWaalsContact C-N 3.32Å; P359-V361 PolarHBondContact O-N 3.46Å
362	F	74.3	Confident	73.6	Confident	10 Å²	10	35 Å²	35	4%	0.044	19%	0.193	C	C	.	.	S	Bend	trans	-115	59	-174.3	-63.9	-81.9	0	0	0	110.9	F108 W351 L354 N355 L358 F368	F108-F362 HydrophobicContact CD1-CE1 4.35Å; F108-F362 HydrophobicContact CG-CZ 4.5Å; W351-F362 WeakPolarHBondContact CZ2-O 3.35Å; L354-F362 HydrophobicContact CB-CD2 3.89Å; L354-F362 HydrophobicContact CB-CE2 4.14Å; L354-F362 HydrophobicContact CB-CG 4.09Å; L354-F362 HydrophobicContact CD1-CE1 4.33Å; L354-F362 HydrophobicContact CD1-CE2 4.44Å; L354-F362 HydrophobicContact CD1-CZ 4.16Å; L354-F362 HydrophobicContact CD2-CE2 4.12Å; L354-F362 HydrophobicContact CG-CE2 4.48Å; N355-F362 HydrophobicContact CB-CB 4.32Å; N355-F362 VanDerWaalsContact CB-O 3.31Å; N355-F362 WeakPolarHBondContact CB-O 3.39Å; N355-F362 PolarHBondContact ND2-O 3.37Å; L358-F362 HydrophobicContact CB-CD2 4.04Å; L358-F362 HydrophobicContact CB-CE2 4.49Å; L358-F362 HydrophobicContact CD1-CE2 4.19Å; L358-F362 PolarHBondContact O-N 2.86Å; F362-F368 HydrophobicContact CD1-CD2 4.05Å; F362-F368 HydrophobicContact CD1-CE2 4.09Å; F362-F368 HydrophobicContact CE1-CD2 4.28Å; F362-F368 AromaticContact CE1-CE2 3.98Å; F362-F368 HydrophobicContact CE1-CE2 3.98Å
363	N	74.6	Confident	72.6	Confident	105 Å²	105	41.4 Å²	41.4	56%	0.561	23%	0.227	S	C	*	.			trans	-80.9	-26.7	-172.3	61.9	-9.1	0	0	0	115	P359	P359-N363 WeakPolarHBondContact O-CB 3.37Å
364	S	73.9	Confident	71.3	Confident	32 Å²	32	46.9 Å²	46.9	22%	0.224	26%	0.261	C	S	.	.			trans	-124.3	129.7	-175.6	173.8	0	0	0	0	111.1	W351 D366 D367 F368	W351-S364 PolarHBondContact NE1-O 2.82Å; S364-D366 PolarHBondContact OG-N 2.97Å; S364-D367 WeakPolarHBondContact CB-OD2 3.12Å; S364-D367 PolarHBondContact OG-N 2.89Å; S364-D367 VanDerWaalsContact OG-N 3.12Å; S364-F368 WeakPolarHBondContact O-CB 3.2Å; S364-F368 PolarHBondContact O-N 3.47Å
365	A	71.8	Confident	69.9	Low	18 Å²	18	51.1 Å²	51.1	15%	0.149	28%	0.279	C	S	.	.	H	α-helix	trans	-72.6	-34.5	173.8	0	0	0	0	0	110.4	W351 F368 D369	W351-A365 HydrophobicContact CD2-CB 4.29Å; W351-A365 HydrophobicContact CE3-CB 4.18Å; W351-A365 HydrophobicContact CH2-CB 3.78Å; W351-A365 HydrophobicContact CZ2-CB 3.94Å; W351-A365 HydrophobicContact CZ3-CB 3.88Å; A365-F368 CarbonylContact O-C 3.55Å; A365-F368 WeakPolarHBondContact O-CA 3.33Å; A365-F368 VanDerWaalsContact O-CB 3.27Å; A365-F368 WeakPolarHBondContact O-CB 3.3Å; A365-F368 PolarHBondContact O-N 2.91Å; A365-D369 WeakPolarHBondContact O-CB 3.5Å; A365-D369 VanDerWaalsContact O-CG 3.32Å; A365-D369 PolarHBondContact O-N 3.29Å
366	D	73	Confident	68.2	Low	121 Å²	121	58 Å²	58	65%	0.647	32%	0.316	S	S	*	.	H	α-helix	trans	-70.3	-36.3	178.2	-56.7	-37.5	0	0	0	111.7	S364 F368 D369 S370	S364-D366 PolarHBondContact OG-N 2.97Å; D366-F368 PolarHBondContact O-N 3.47Å; D366-D369 PolarHBondContact O-N 3.28Å; D366-S370 VanDerWaalsContact O-CB 3.26Å; D366-S370 WeakPolarHBondContact O-CB 3.26Å; D366-S370 PolarHBondContact O-N 3.34Å; D366-S370 PolarHBondContact O-OG 3.43Å
367	D	70.4	Confident	66.4	Low	93 Å²	93	62 Å²	62	50%	0.497	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-33.4	172.8	-71.1	-27.7	0	0	0	111	S364 S370 W371	S364-D367 WeakPolarHBondContact CB-OD2 3.12Å; S364-D367 PolarHBondContact OG-N 2.89Å; S364-D367 VanDerWaalsContact OG-N 3.12Å; D367-S370 WeakPolarHBondContact CA-OG 3.04Å; D367-S370 PolarHBondContact O-OG 3.17Å; D367-W371 WeakPolarHBondContact O-CB 3.1Å; D367-W371 PolarHBondContact O-N 3.19Å
368	F	69.4	Low	64.6	Low	12 Å²	12	70.1 Å²	70.1	5%	0.053	39%	0.386	C	S	.	.	H	α-helix	trans	-64.6	-61	172.2	-168	-110.2	0	0	0	108.5	L347 W351 F362 S364 A365 D366 S370 W371 F372 L387	L347-F368 HydrophobicContact CD2-CD1 4.04Å; L347-F368 HydrophobicContact CD2-CE1 3.61Å; L347-F368 HydrophobicContact CG-CE1 3.81Å; W351-F368 HydrophobicContact CB-CD1 3.89Å; W351-F368 HydrophobicContact CB-CE1 3.63Å; W351-F368 HydrophobicContact CB-CZ 4.1Å; W351-F368 AromaticContact CD1-CD1 3.36Å; W351-F368 AromaticContact CD1-CD2 3.44Å; W351-F368 VanDerWaalsContact CD1-CD2 3.44Å; W351-F368 AromaticContact CD1-CE1 3.74Å; W351-F368 AromaticContact CD1-CE2 3.83Å; W351-F368 AromaticContact CD1-CG 3.17Å; W351-F368 AromaticContact CD1-CZ 3.95Å; W351-F368 HydrophobicContact CG-CB 4.49Å; W351-F368 AromaticContact CG-CD1 3.78Å; W351-F368 HydrophobicContact CG-CD1 3.78Å; W351-F368 AromaticContact CG-CE1 3.99Å; W351-F368 HydrophobicContact CG-CE1 3.99Å; W351-F368 HydrophobicContact CG-CG 4.04Å; W351-F368 HydrophobicContact CG-CZ 4.43Å; W351-F368 AromaticContact NE1-CG 3.7Å; F362-F368 HydrophobicContact CD1-CD2 4.05Å; F362-F368 HydrophobicContact CD1-CE2 4.09Å; F362-F368 HydrophobicContact CE1-CD2 4.28Å; F362-F368 AromaticContact CE1-CE2 3.98Å; F362-F368 HydrophobicContact CE1-CE2 3.98Å; S364-F368 WeakPolarHBondContact O-CB 3.2Å; S364-F368 PolarHBondContact O-N 3.47Å; A365-F368 CarbonylContact O-C 3.55Å; A365-F368 WeakPolarHBondContact O-CA 3.33Å; A365-F368 VanDerWaalsContact O-CB 3.27Å; A365-F368 WeakPolarHBondContact O-CB 3.3Å; A365-F368 PolarHBondContact O-N 2.91Å; D366-F368 PolarHBondContact O-N 3.47Å; F368-S370 PolarHBondContact O-N 2.92Å; F368-W371 WeakPolarHBondContact O-CA 3.19Å; F368-W371 VanDerWaalsContact O-CB 3.23Å; F368-W371 WeakPolarHBondContact O-CB 2.92Å; F368-W371 PolarHBondContact O-N 2.81Å; F368-F372 VanDerWaalsContact C-CD2 3.44Å; F368-F372 HydrophobicContact CB-CE2 4.35Å; F368-F372 HydrophobicContact CD1-CD2 4.02Å; F368-F372 AromaticContact CD1-CE2 3.22Å; F368-F372 HydrophobicContact CD1-CE2 3.22Å; F368-F372 AromaticContact CD1-CZ 3.89Å; F368-F372 HydrophobicContact CD1-CZ 3.89Å; F368-F372 AromaticContact CD2-CE2 3.64Å; F368-F372 HydrophobicContact CD2-CE2 3.64Å; F368-F372 HydrophobicContact CD2-CZ 4.15Å; F368-F372 HydrophobicContact CE1-CD2 4.26Å; F368-F372 HydrophobicContact CE1-CE1 4.47Å; F368-F372 AromaticContact CE1-CE2 3.22Å; F368-F372 HydrophobicContact CE1-CE2 3.22Å; F368-F372 AromaticContact CE1-CZ 3.36Å; F368-F372 HydrophobicContact CE1-CZ 3.36Å; F368-F372 AromaticContact CE2-CE2 3.65Å; F368-F372 HydrophobicContact CE2-CE2 3.65Å; F368-F372 AromaticContact CE2-CZ 3.66Å; F368-F372 HydrophobicContact CE2-CZ 3.66Å; F368-F372 HydrophobicContact CG-CD2 4.32Å; F368-F372 AromaticContact CG-CE2 3.44Å; F368-F372 HydrophobicContact CG-CE2 3.44Å; F368-F372 VanDerWaalsContact CG-CE2 3.44Å; F368-F372 HydrophobicContact CG-CZ 4.27Å; F368-F372 HydrophobicContact CZ-CE1 4.46Å; F368-F372 AromaticContact CZ-CE2 3.47Å; F368-F372 HydrophobicContact CZ-CE2 3.47Å; F368-F372 VanDerWaalsContact CZ-CE2 3.47Å; F368-F372 AromaticContact CZ-CZ 3.25Å; F368-F372 HydrophobicContact CZ-CZ 3.25Å; F368-F372 WeakPolarHBondContact O-CD2 3.44Å; F368-F372 VanDerWaalsContact O-CE2 3.23Å; F368-F372 WeakPolarHBondContact O-CE2 3.28Å; F368-F372 PolarHBondContact O-N 3.48Å; F368-L387 HydrophobicContact CE2-CD2 4.07Å; F368-L387 HydrophobicContact CZ-CD1 3.86Å; F368-L387 HydrophobicContact CZ-CD2 3.93Å
369	D	69.3	Low	63.3	Low	45 Å²	45	72 Å²	72	24%	0.241	41%	0.407	C	S	.	.	H	α-helix	trans	-52.9	-45.3	179.5	-70.7	-12.2	0	0	0	113.3	H348 A365 D366 W371 F372 D373	H348-D369 IonicContact CE1-OD1 3.08Å; H348-D369 PolarHBondContact CE1-OD1 3.48Å; H348-D369 IonicContact CE1-OD2 2.77Å; H348-D369 PolarHBondContact CE1-OD2 3.28Å; A365-D369 WeakPolarHBondContact O-CB 3.5Å; A365-D369 VanDerWaalsContact O-CG 3.32Å; A365-D369 PolarHBondContact O-N 3.29Å; D366-D369 PolarHBondContact O-N 3.28Å; D369-W371 VanDerWaalsContact C-N 3.27Å; D369-W371 PolarHBondContact O-N 2.8Å; D369-F372 CarbonylContact O-C 3.45Å; D369-F372 VanDerWaalsContact O-CA 3.31Å; D369-F372 WeakPolarHBondContact O-CA 3.2Å; D369-F372 VanDerWaalsContact O-CB 3.26Å; D369-F372 WeakPolarHBondContact O-CB 2.98Å; D369-F372 PolarHBondContact O-N 2.83Å; D369-D373 PolarHBondContact O-N 2.98Å
370	S	66.4	Low	62.6	Low	56 Å²	56	75.9 Å²	75.9	39%	0.392	43%	0.425	S	S	.	.	H	α-helix	trans	-64.3	-30.5	177.4	58.8	0	0	0	0	113.1	D366 D367 F368 F372 D373 T374	D366-S370 VanDerWaalsContact O-CB 3.26Å; D366-S370 WeakPolarHBondContact O-CB 3.26Å; D366-S370 PolarHBondContact O-N 3.34Å; D366-S370 PolarHBondContact O-OG 3.43Å; D367-S370 WeakPolarHBondContact CA-OG 3.04Å; D367-S370 PolarHBondContact O-OG 3.17Å; F368-S370 PolarHBondContact O-N 2.92Å; S370-F372 VanDerWaalsContact C-N 3.28Å; S370-D373 PolarHBondContact O-N 2.91Å; S370-T374 WeakPolarHBondContact O-CB 3.43Å; S370-T374 PolarHBondContact O-N 3.03Å; S370-T374 VanDerWaalsContact O-N 3.1Å; S370-T374 PolarHBondContact O-OG1 3.21Å
371	W	61.1	Low	61.9	Low	55 Å²	55	78.2 Å²	78.2	21%	0.208	43%	0.434	C	S	.	.	H	α-helix	trans	-69.1	-27	170.3	-175	93.2	0	0	0	112.2	H107 F108 D367 F368 D369 L383	H107-W371 AromaticContact CE1-CE2 3.92Å; H107-W371 AromaticContact CE1-CZ2 3.51Å; H107-W371 AromaticContact CE1-NE1 3.71Å; H107-W371 AromaticContact ND1-CZ2 3.75Å; F108-W371 HydrophobicContact CD1-CZ2 4.42Å; F108-W371 HydrophobicContact CE1-CE3 4.46Å; F108-W371 AromaticContact CE1-CH2 3.47Å; F108-W371 HydrophobicContact CE1-CH2 3.47Å; F108-W371 VanDerWaalsContact CE1-CH2 3.47Å; F108-W371 AromaticContact CE1-CZ2 3.75Å; F108-W371 HydrophobicContact CE1-CZ2 3.75Å; F108-W371 AromaticContact CE1-CZ3 3.86Å; F108-W371 HydrophobicContact CE1-CZ3 3.86Å; F108-W371 AromaticContact CZ-CH2 3.72Å; F108-W371 HydrophobicContact CZ-CH2 3.72Å; F108-W371 HydrophobicContact CZ-CZ2 4.24Å; F108-W371 HydrophobicContact CZ-CZ3 4.3Å; D367-W371 WeakPolarHBondContact O-CB 3.1Å; D367-W371 PolarHBondContact O-N 3.19Å; F368-W371 WeakPolarHBondContact O-CA 3.19Å; F368-W371 VanDerWaalsContact O-CB 3.23Å; F368-W371 WeakPolarHBondContact O-CB 2.92Å; F368-W371 PolarHBondContact O-N 2.81Å; D369-W371 VanDerWaalsContact C-N 3.27Å; D369-W371 PolarHBondContact O-N 2.8Å; W371-L383 HydrophobicContact CH2-CD1 3.72Å; W371-L383 HydrophobicContact CZ3-CD1 3.71Å; W371-L383 HydrophobicContact CZ3-CD2 3.89Å; W371-L383 HydrophobicContact CZ3-CG 4.23Å
372	F	58.5	Low	61.4	Low	32 Å²	32	84.6 Å²	84.6	14%	0.14	46%	0.459	C	S	.	.	H	α-helix	trans	-75.4	-43.1	170.2	-64.7	-92.6	0	0	0	112.1	L347 F368 D369 S370 T374 K375 L383 L387	L347-F372 HydrophobicContact CD1-CD1 3.92Å; L347-F372 HydrophobicContact CD1-CE1 3.37Å; L347-F372 HydrophobicContact CD1-CZ 3.89Å; L347-F372 HydrophobicContact CD2-CD1 4.07Å; L347-F372 HydrophobicContact CD2-CD2 3.94Å; L347-F372 HydrophobicContact CD2-CE1 3.92Å; L347-F372 HydrophobicContact CD2-CE2 3.92Å; L347-F372 HydrophobicContact CD2-CG 4.14Å; L347-F372 HydrophobicContact CD2-CZ 3.91Å; L347-F372 HydrophobicContact CG-CE1 4.11Å; L347-F372 HydrophobicContact CG-CZ 4.2Å; F368-F372 VanDerWaalsContact C-CD2 3.44Å; F368-F372 HydrophobicContact CB-CE2 4.35Å; F368-F372 HydrophobicContact CD1-CD2 4.02Å; F368-F372 AromaticContact CD1-CE2 3.22Å; F368-F372 HydrophobicContact CD1-CE2 3.22Å; F368-F372 AromaticContact CD1-CZ 3.89Å; F368-F372 HydrophobicContact CD1-CZ 3.89Å; F368-F372 AromaticContact CD2-CE2 3.64Å; F368-F372 HydrophobicContact CD2-CE2 3.64Å; F368-F372 HydrophobicContact CD2-CZ 4.15Å; F368-F372 HydrophobicContact CE1-CD2 4.26Å; F368-F372 HydrophobicContact CE1-CE1 4.47Å; F368-F372 AromaticContact CE1-CE2 3.22Å; F368-F372 HydrophobicContact CE1-CE2 3.22Å; F368-F372 AromaticContact CE1-CZ 3.36Å; F368-F372 HydrophobicContact CE1-CZ 3.36Å; F368-F372 AromaticContact CE2-CE2 3.65Å; F368-F372 HydrophobicContact CE2-CE2 3.65Å; F368-F372 AromaticContact CE2-CZ 3.66Å; F368-F372 HydrophobicContact CE2-CZ 3.66Å; F368-F372 HydrophobicContact CG-CD2 4.32Å; F368-F372 AromaticContact CG-CE2 3.44Å; F368-F372 HydrophobicContact CG-CE2 3.44Å; F368-F372 VanDerWaalsContact CG-CE2 3.44Å; F368-F372 HydrophobicContact CG-CZ 4.27Å; F368-F372 HydrophobicContact CZ-CE1 4.46Å; F368-F372 AromaticContact CZ-CE2 3.47Å; F368-F372 HydrophobicContact CZ-CE2 3.47Å; F368-F372 VanDerWaalsContact CZ-CE2 3.47Å; F368-F372 AromaticContact CZ-CZ 3.25Å; F368-F372 HydrophobicContact CZ-CZ 3.25Å; F368-F372 WeakPolarHBondContact O-CD2 3.44Å; F368-F372 VanDerWaalsContact O-CE2 3.23Å; F368-F372 WeakPolarHBondContact O-CE2 3.28Å; F368-F372 PolarHBondContact O-N 3.48Å; D369-F372 CarbonylContact O-C 3.45Å; D369-F372 VanDerWaalsContact O-CA 3.31Å; D369-F372 WeakPolarHBondContact O-CA 3.2Å; D369-F372 VanDerWaalsContact O-CB 3.26Å; D369-F372 WeakPolarHBondContact O-CB 2.98Å; D369-F372 PolarHBondContact O-N 2.83Å; S370-F372 VanDerWaalsContact C-N 3.28Å; F372-T374 PolarHBondContact O-N 2.71Å; F372-K375 VanDerWaalsContact O-O 3.12Å; F372-L383 HydrophobicContact CD1-CD2 3.25Å; F372-L383 HydrophobicContact CD1-CG 4.3Å; F372-L383 HydrophobicContact CE1-CD2 3.11Å; F372-L383 HydrophobicContact CE1-CG 3.7Å; F372-L383 HydrophobicContact CG-CD2 4.41Å; F372-L383 HydrophobicContact CZ-CD2 4.16Å; F372-L387 HydrophobicContact CZ-CD1 4.41Å
373	D	58.4	Low	60.8	Low	134 Å²	134	85.4 Å²	85.4	72%	0.717	46%	0.464	S	S	*	.	H	α-helix	trans	-67.3	-34	-178.6	-79.8	-15.5	0	0	0	112.7	D369 S370 K375	D369-D373 PolarHBondContact O-N 2.98Å; S370-D373 PolarHBondContact O-N 2.91Å; D373-K375 VanDerWaalsContact C-N 3.31Å; D373-K375 PolarHBondContact O-N 3.41Å
374	T	53.3	Low	60.3	Low	118 Å²	118	81 Å²	81	72%	0.724	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-25	-174.7	-51	0	0	0	0	113	S370 F372	S370-T374 WeakPolarHBondContact O-CB 3.43Å; S370-T374 PolarHBondContact O-N 3.03Å; S370-T374 VanDerWaalsContact O-N 3.1Å; S370-T374 PolarHBondContact O-OG1 3.21Å; F372-T374 PolarHBondContact O-N 2.71Å
375	K	50.3	Low	59.9	Low	89 Å²	89	83 Å²	83	39%	0.387	45%	0.447	S	S	.	.	S	Bend	trans	-102.9	108	176.1	-67.9	-174.4	-179.3	-178.7	0	107	H107 F372 D373 C377	H107-K375 PolarHBondContact NE2-NZ 2.84Å; F372-K375 VanDerWaalsContact O-O 3.12Å; D373-K375 VanDerWaalsContact C-N 3.31Å; D373-K375 PolarHBondContact O-N 3.41Å; K375-C377 PolarHBondContact O-N 2.84Å
376	N	46.5	Very low	59.7	Low	152 Å²	152	87.6 Å²	87.6	81%	0.813	46%	0.46	S	S	*	.			trans	-57.1	44.7	168.2	-80.3	-28.7	0	0	0	113.6	L378	N376-L378 PolarHBondContact O-N 3.08Å
377	C	43.8	Very low	59.6	Low	89 Å²	89	81.8 Å²	81.8	60%	0.601	43%	0.429	S	S	*	.			trans	-78.2	75.8	170.1	-79.5	0	0	0	0	107.5	K375 G379	K375-C377 PolarHBondContact O-N 2.84Å; C377-G379 PolarHBondContact O-N 3.28Å
378	L	42.9	Very low	59.5	Low	173 Å²	173	79.2 Å²	79.2	91%	0.906	41%	0.414	S	S	*	.			trans	-61.4	53.5	168.1	-84.3	133.6	0	0	0	112.6	N376	N376-L378 PolarHBondContact O-N 3.08Å
379	G	52.1	Low	59.6	Low	44 Å²	44	80.4 Å²	80.4	45%	0.454	43%	0.426	S	S	.	.			trans	-179.6	79.6	-179.8	0	0	0	0	0	111.9	C377 Q381	C377-G379 PolarHBondContact O-N 3.28Å; G379-Q381 PolarHBondContact O-N 3.45Å
380	D	58.6	Low	59.7	Low	124 Å²	124	78.3 Å²	78.3	66%	0.663	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.2	-29.1	-176.6	-71.4	-44.4	0	0	0	115.2	K382 L383 V384	D380-K382 PolarHBondContact O-N 2.92Å; D380-L383 PolarHBondContact O-N 2.94Å; D380-V384 WeakPolarHBondContact O-CG2 3.29Å; D380-V384 PolarHBondContact O-N 3.36Å; D380-V384 VanDerWaalsContact O-N 3.14Å
381	Q	59.5	Low	60.2	Low	112 Å²	112	75.7 Å²	75.7	52%	0.523	40%	0.396	S	S	.	.	H	α-helix	trans	-59.3	-46.4	-169.2	-135.8	159.2	39.2	0	0	114.1	G379 L383 E385 L652	G379-Q381 PolarHBondContact O-N 3.45Å; Q381-L383 PolarHBondContact O-N 3.33Å; Q381-E385 WeakPolarHBondContact O-CB 3.27Å; Q381-E385 VanDerWaalsContact O-CG 3.3Å; Q381-E385 WeakPolarHBondContact O-CG 3.36Å; Q381-E385 PolarHBondContact O-N 2.86Å; Q381-L652 HydrophobicContact CB-CD1 4.16Å; Q381-L652 HydrophobicContact CG-CD1 3.38Å; Q381-L652 VanDerWaalsContact O-CD1 3.27Å; Q381-L652 WeakPolarHBondContact O-CD1 3.45Å
382	K	61.4	Low	61	Low	162 Å²	162	80.7 Å²	80.7	70%	0.704	42%	0.42	S	S	*	.	H	α-helix	trans	-65.4	-28.3	-178.2	-78.3	-175.9	179.7	175.8	0	113	D380 R386	D380-K382 PolarHBondContact O-N 2.92Å; K382-R386 WeakPolarHBondContact O-CG 3.4Å; K382-R386 PolarHBondContact O-N 3.38Å
383	L	61.5	Low	62	Low	28 Å²	28	80.3 Å²	80.3	15%	0.147	42%	0.421	C	S	.	.	H	α-helix	trans	-86.2	-39.9	-175.1	-166.2	53.6	0	0	0	111.6	W371 F372 D380 Q381 E385 R386 L387	W371-L383 HydrophobicContact CH2-CD1 3.72Å; W371-L383 HydrophobicContact CZ3-CD1 3.71Å; W371-L383 HydrophobicContact CZ3-CD2 3.89Å; W371-L383 HydrophobicContact CZ3-CG 4.23Å; F372-L383 HydrophobicContact CD1-CD2 3.25Å; F372-L383 HydrophobicContact CD1-CG 4.3Å; F372-L383 HydrophobicContact CE1-CD2 3.11Å; F372-L383 HydrophobicContact CE1-CG 3.7Å; F372-L383 HydrophobicContact CG-CD2 4.41Å; F372-L383 HydrophobicContact CZ-CD2 4.16Å; D380-L383 PolarHBondContact O-N 2.94Å; Q381-L383 PolarHBondContact O-N 3.33Å; L383-E385 PolarHBondContact O-N 3.34Å; L383-R386 HydrophobicContact CD1-CB 4.41Å; L383-R386 WeakPolarHBondContact O-CA 3.07Å; L383-R386 WeakPolarHBondContact O-CB 3.5Å; L383-R386 PolarHBondContact O-N 2.98Å; L383-L387 PolarHBondContact O-N 3.37Å
384	V	64.7	Low	63.1	Low	11 Å²	11	74 Å²	74	7%	0.067	39%	0.387	C	S	.	.	H	α-helix	trans	-61.9	-37.1	170.5	-166.2	0	0	0	0	110.2	N345 L347 L350 D380 R386 L387 H388 L652	N345-V384 HydrophobicContact CB-CG1 4.49Å; L347-V384 HydrophobicContact CD1-CG2 4.46Å; L350-V384 HydrophobicContact CD1-CG1 3.46Å; L350-V384 VanDerWaalsContact CD1-CG1 3.46Å; D380-V384 WeakPolarHBondContact O-CG2 3.29Å; D380-V384 PolarHBondContact O-N 3.36Å; D380-V384 VanDerWaalsContact O-N 3.14Å; V384-R386 VanDerWaalsContact C-N 3.34Å; V384-R386 PolarHBondContact O-N 3.02Å; V384-L387 PolarHBondContact O-N 3.3Å; V384-H388 PolarHBondContact O-CD2 2.93Å; V384-H388 PolarHBondContact O-N 3.26Å; V384-L652 HydrophobicContact CB-CD1 3.98Å; V384-L652 HydrophobicContact CB-CD2 3.58Å; V384-L652 HydrophobicContact CB-CG 4.49Å; V384-L652 HydrophobicContact CG1-CD1 4.48Å; V384-L652 HydrophobicContact CG1-CD2 3.18Å; V384-L652 HydrophobicContact CG1-CG 4.47Å
385	E	66.2	Low	64.7	Low	75 Å²	75	70.6 Å²	70.6	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-57.6	-41.8	169.5	-77.1	173.1	177	0	0	112.8	Q381 L383 H388 A389 L652	Q381-E385 WeakPolarHBondContact O-CB 3.27Å; Q381-E385 VanDerWaalsContact O-CG 3.3Å; Q381-E385 WeakPolarHBondContact O-CG 3.36Å; Q381-E385 PolarHBondContact O-N 2.86Å; L383-E385 PolarHBondContact O-N 3.34Å; E385-H388 PolarHBondContact O-N 3.08Å; E385-A389 PolarHBondContact O-N 3.22Å; E385-L652 HydrophobicContact CG-CD1 3.96Å
386	R	67.3	Low	66.5	Low	114 Å²	114	68 Å²	68	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-43.4	174.7	-72.7	173.4	-179.5	-169.9	-1.1	112.2	L104 K382 L383 V384 H388 A389 V390	L104-R386 HydrophobicContact CD2-CG 4.07Å; K382-R386 WeakPolarHBondContact O-CG 3.4Å; K382-R386 PolarHBondContact O-N 3.38Å; L383-R386 HydrophobicContact CD1-CB 4.41Å; L383-R386 WeakPolarHBondContact O-CA 3.07Å; L383-R386 WeakPolarHBondContact O-CB 3.5Å; L383-R386 PolarHBondContact O-N 2.98Å; V384-R386 VanDerWaalsContact C-N 3.34Å; V384-R386 PolarHBondContact O-N 3.02Å; R386-H388 VanDerWaalsContact C-N 3.29Å; R386-H388 PolarHBondContact O-N 2.93Å; R386-A389 WeakPolarHBondContact O-CB 3.31Å; R386-A389 PolarHBondContact O-N 3.47Å; R386-A389 VanDerWaalsContact O-N 3.16Å; R386-V390 VanDerWaalsContact O-CG2 3.3Å; R386-V390 WeakPolarHBondContact O-CG2 3.39Å; R386-V390 PolarHBondContact O-N 3.46Å
387	L	69.5	Low	68.3	Low	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-37.8	176.2	-66.8	172.5	0	0	0	111.3	F108 L347 L350 L354 F368 F372 L383 V384 V390 L391	F108-L387 HydrophobicContact CZ-CD2 4.41Å; L347-L387 HydrophobicContact CD1-CD1 4.15Å; L350-L387 HydrophobicContact CD1-CB 4.34Å; L350-L387 HydrophobicContact CD1-CD1 4.37Å; L354-L387 HydrophobicContact CD1-CD2 3.83Å; F368-L387 HydrophobicContact CE2-CD2 4.07Å; F368-L387 HydrophobicContact CZ-CD1 3.86Å; F368-L387 HydrophobicContact CZ-CD2 3.93Å; F372-L387 HydrophobicContact CZ-CD1 4.41Å; L383-L387 PolarHBondContact O-N 3.37Å; V384-L387 PolarHBondContact O-N 3.3Å; L387-V390 WeakPolarHBondContact O-CB 3.37Å; L387-V390 PolarHBondContact O-N 3.22Å; L387-L391 WeakPolarHBondContact O-CG 3.26Å; L387-L391 PolarHBondContact O-N 3.34Å
388	H	69.4	Low	70.3	Confident	39 Å²	39	61.8 Å²	61.8	18%	0.181	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-40.3	172.2	-80.7	-64.7	0	0	0	112.6	V384 E385 R386 V390 L391 K392	V384-H388 PolarHBondContact O-CD2 2.93Å; V384-H388 PolarHBondContact O-N 3.26Å; E385-H388 PolarHBondContact O-N 3.08Å; R386-H388 VanDerWaalsContact C-N 3.29Å; R386-H388 PolarHBondContact O-N 2.93Å; H388-V390 VanDerWaalsContact C-N 3.28Å; H388-V390 PolarHBondContact O-N 2.97Å; H388-L391 PolarHBondContact O-N 3.45Å; H388-L391 VanDerWaalsContact O-N 3.16Å; H388-K392 WeakPolarHBondContact O-CB 3.37Å; H388-K392 PolarHBondContact O-N 2.77Å
389	A	71	Confident	72.1	Confident	37 Å²	37	56 Å²	56	31%	0.306	28%	0.276	S	S	.	.	H	α-helix	trans	-61.8	-38.2	174.6	0	0	0	0	0	112	L104 E385 R386 P393	L104-A389 HydrophobicContact CD1-CB 3.88Å; E385-A389 PolarHBondContact O-N 3.22Å; R386-A389 WeakPolarHBondContact O-CB 3.31Å; R386-A389 PolarHBondContact O-N 3.47Å; R386-A389 VanDerWaalsContact O-N 3.16Å; A389-P393 WeakPolarHBondContact O-CD 3.17Å
390	V	72.1	Confident	73.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-38.6	173	166.1	0	0	0	0	111.4	L104 F105 F108 L354 R386 L387 H388 P393 F394	L104-V390 HydrophobicContact CB-CG2 4.18Å; F105-V390 HydrophobicContact CD1-CG1 4.38Å; F105-V390 HydrophobicContact CE1-CG1 3.51Å; F105-V390 HydrophobicContact CE2-CG1 4.22Å; F105-V390 HydrophobicContact CZ-CB 4.14Å; F105-V390 HydrophobicContact CZ-CG1 3.39Å; F105-V390 HydrophobicContact CZ-CG2 4.49Å; F105-V390 WeakPolarHBondContact CZ-O 3.26Å; F108-V390 HydrophobicContact CD2-CG2 4.35Å; F108-V390 HydrophobicContact CE2-CG2 3.95Å; L354-V390 HydrophobicContact CD2-CG1 3.96Å; R386-V390 VanDerWaalsContact O-CG2 3.3Å; R386-V390 WeakPolarHBondContact O-CG2 3.39Å; R386-V390 PolarHBondContact O-N 3.46Å; L387-V390 WeakPolarHBondContact O-CB 3.37Å; L387-V390 PolarHBondContact O-N 3.22Å; H388-V390 VanDerWaalsContact C-N 3.28Å; H388-V390 PolarHBondContact O-N 2.97Å; V390-P393 WeakPolarHBondContact O-CD 2.96Å; V390-F394 WeakPolarHBondContact O-CD2 3.41Å; V390-F394 WeakPolarHBondContact O-CE2 3.36Å
391	L	76.5	Confident	74.1	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-75.4	-28.7	178.6	-80.9	169.1	0	0	0	114	L350 L354 L357 L387 H388 P393 F394 L395	L350-L391 HydrophobicContact CD2-CD1 3.63Å; L354-L391 HydrophobicContact CD2-CD2 3.47Å; L354-L391 VanDerWaalsContact CD2-CD2 3.47Å; L354-L391 HydrophobicContact CD2-CG 3.82Å; L354-L391 HydrophobicContact CG-CD2 3.88Å; L354-L391 HydrophobicContact CG-CG 4.14Å; L357-L391 HydrophobicContact CD1-CD2 3.88Å; L387-L391 WeakPolarHBondContact O-CG 3.26Å; L387-L391 PolarHBondContact O-N 3.34Å; H388-L391 PolarHBondContact O-N 3.45Å; H388-L391 VanDerWaalsContact O-N 3.16Å; L391-P393 VanDerWaalsContact C-CD 3.43Å; L391-F394 HydrophobicContact CD2-CD2 4.49Å; L391-F394 PolarHBondContact O-N 2.91Å; L391-L395 PolarHBondContact O-N 2.94Å
392	K	77.7	Confident	74.9	Confident	161 Å²	161	53.4 Å²	53.4	70%	0.7	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-52	-41.8	-171.6	-167	176	-177.5	178.5	0	114	H388 F394 L395	H388-K392 WeakPolarHBondContact O-CB 3.37Å; H388-K392 PolarHBondContact O-N 2.77Å; K392-F394 VanDerWaalsContact C-N 3.27Å; K392-F394 PolarHBondContact O-N 3.31Å; K392-L395 PolarHBondContact O-N 2.8Å
393	P	78.6	Confident	75.8	Confident	24 Å²	24	47.5 Å²	47.5	16%	0.156	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-63.7	-28	176.5	-22.8	35.2	0	0	0	114.2	Q101 A389 V390 L391	Q101-P393 HydrophobicContact CB-CB 4.2Å; Q101-P393 HydrophobicContact CB-CG 3.9Å; Q101-P393 HydrophobicContact CG-CB 4.11Å; Q101-P393 HydrophobicContact CG-CG 4.34Å; A389-P393 WeakPolarHBondContact O-CD 3.17Å; V390-P393 WeakPolarHBondContact O-CD 2.96Å; L391-P393 VanDerWaalsContact C-CD 3.43Å
394	F	82.9	Confident	76.2	Confident	1 Å²	1	47 Å²	47	0%	0.004	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-93.4	-6	-179.6	-40.5	-59.3	0	0	0	113.4	L98 F105 W193 V202 I205 L357 L358 V390 L391 K392	L98-F394 HydrophobicContact CD2-CE1 3.36Å; L98-F394 HydrophobicContact CD2-CE2 4.47Å; L98-F394 HydrophobicContact CD2-CZ 3.18Å; F105-F394 HydrophobicContact CE1-CE2 4.32Å; F105-F394 HydrophobicContact CE1-CZ 4.13Å; F105-F394 HydrophobicContact CE2-CZ 4.3Å; F105-F394 AromaticContact CZ-CE2 3.63Å; F105-F394 HydrophobicContact CZ-CE2 3.63Å; F105-F394 AromaticContact CZ-CZ 3.49Å; F105-F394 HydrophobicContact CZ-CZ 3.49Å; F105-F394 VanDerWaalsContact CZ-CZ 3.49Å; W193-F394 VanDerWaalsContact CH2-O 3.28Å; W193-F394 WeakPolarHBondContact CH2-O 3.45Å; W193-F394 WeakPolarHBondContact CZ2-O 3.36Å; V202-F394 HydrophobicContact CG1-CD1 3.26Å; V202-F394 HydrophobicContact CG1-CE1 3.33Å; V202-F394 HydrophobicContact CG1-CG 4.5Å; I205-F394 PolarHBondContact N-O 2.8Å; L357-F394 HydrophobicContact CD1-CB 4.09Å; L357-F394 HydrophobicContact CD1-CD2 4.19Å; L357-F394 HydrophobicContact CD1-CG 4.39Å; L358-F394 HydrophobicContact CD1-CE2 4.06Å; L358-F394 HydrophobicContact CD1-CZ 3.95Å; V390-F394 WeakPolarHBondContact O-CD2 3.41Å; V390-F394 WeakPolarHBondContact O-CE2 3.36Å; L391-F394 HydrophobicContact CD2-CD2 4.49Å; L391-F394 PolarHBondContact O-N 2.91Å; K392-F394 VanDerWaalsContact C-N 3.27Å; K392-F394 PolarHBondContact O-N 3.31Å
395	L	86.1	Confident	76.6	Confident	47 Å²	47	55.6 Å²	55.6	25%	0.246	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	107.6	-173.3	-177.8	71	0	0	0	109.8	I205 A207 L343 L391 K392	I205-L395 HydrophobicContact CB-CD1 3.65Å; I205-L395 HydrophobicContact CD1-CD1 4.49Å; I205-L395 HydrophobicContact CG2-CD1 3.5Å; A207-L395 HydrophobicContact CB-CD1 3.56Å; L343-L395 HydrophobicContact CD1-CD1 4.29Å; L343-L395 HydrophobicContact CD1-CD2 4.13Å; L391-L395 PolarHBondContact O-N 2.94Å; K392-L395 PolarHBondContact O-N 2.8Å
396	L	87.3	Confident	77.1	Confident	34 Å²	34	56 Å²	56	18%	0.178	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.4	167.1	-176.7	62.3	0	0	0	109.4	W193 I205 L206 A207 R398	W193-L396 HydrophobicContact CB-CD2 4.14Å; W193-L396 HydrophobicContact CD2-CB 3.74Å; W193-L396 HydrophobicContact CD2-CD2 3.77Å; W193-L396 HydrophobicContact CD2-CG 4.3Å; W193-L396 HydrophobicContact CE3-CB 3.64Å; W193-L396 HydrophobicContact CE3-CD2 3.63Å; W193-L396 HydrophobicContact CE3-CG 4.29Å; W193-L396 HydrophobicContact CG-CD2 4Å; W193-L396 HydrophobicContact CH2-CB 3.5Å; W193-L396 HydrophobicContact CZ2-CB 3.61Å; W193-L396 HydrophobicContact CZ3-CB 3.53Å; W193-L396 HydrophobicContact CZ3-CD2 4.27Å; I205-L396 PolarHBondContact O-N 2.82Å; L206-L396 HydrophobicContact CD1-CB 4.21Å; L206-L396 HydrophobicContact CD1-CD2 3.96Å; L206-L396 HydrophobicContact CD1-CG 4.25Å; A207-L396 PolarHBondContact N-O 3.21Å; L396-R398 HydrophobicContact CD1-CG 4.48Å
397	R	86.2	Confident	77.7	Confident	81 Å²	81	51.8 Å²	51.8	31%	0.306	27%	0.267	S	S	.	.			trans	-140.3	124.7	177.7	179.5	159.8	-171.3	-153.4	2	111.5	A207 I647	A207-R397 HydrophobicContact CB-CB 4.13Å; A207-R397 HydrophobicContact CB-CG 4.37Å; A207-R397 VanDerWaalsContact O-CG 3.31Å; A207-R397 WeakPolarHBondContact O-CG 3.19Å; R397-I647 VanDerWaalsContact NH1-CG1 3.26Å; R397-I647 VanDerWaalsContact NH1-CG2 3.31Å
398	R	85.8	Confident	78.4	Confident	30 Å²	30	53 Å²	53	11%	0.113	28%	0.275	C	S	.	.			trans	-130.4	147.3	177.1	-62.7	164.7	-65.6	-171.1	3.2	110.6	Y186 D208 E209 L212 L396 V403	Y186-R398 PolarHBondContact O-NH1 3.02Å; D208-R398 WeakPolarHBondContact OD1-CB 3.32Å; D208-R398 IonicContact OD1-CZ 3.59Å; D208-R398 PolarHBondContact OD1-N 3Å; D208-R398 VanDerWaalsContact OD1-N 3.12Å; D208-R398 IonicContact OD1-NE 2.63Å; D208-R398 PolarHBondContact OD1-NE 2.71Å; D208-R398 IonicContact OD1-NH2 3.79Å; D208-R398 PolarHBondContact OD1-NH2 3.42Å; D208-R398 IonicContact OD2-CZ 3.32Å; D208-R398 IonicContact OD2-NE 3.12Å; D208-R398 PolarHBondContact OD2-NE 3.45Å; D208-R398 IonicContact OD2-NH2 2.72Å; D208-R398 PolarHBondContact OD2-NH2 3.33Å; E209-R398 PolarHBondContact N-O 3.46Å; L212-R398 HydrophobicContact CD1-CB 4.38Å; L212-R398 VanDerWaalsContact CD1-O 3.29Å; L212-R398 WeakPolarHBondContact CD1-O 3.46Å; L396-R398 HydrophobicContact CD1-CG 4.48Å; R398-V403 HydrophobicContact CB-CG1 3.84Å; R398-V403 HydrophobicContact CG-CG1 4.16Å
399	I	80.6	Confident	79.3	Confident	50 Å²	50	55.7 Å²	55.7	26%	0.256	30%	0.296	S	S	.	.			trans	-102.8	145	179.8	-53.6	175.3	0	0	0	108.3	E209 T401 D402 V403	E209-I399 WeakPolarHBondContact OE2-CA 3.44Å; E209-I399 WeakPolarHBondContact OE2-CG2 3.18Å; I399-T401 WeakPolarHBondContact CG2-OG1 3.39Å; I399-T401 PolarHBondContact O-N 2.98Å; I399-D402 WeakPolarHBondContact O-CB 3.44Å; I399-D402 PolarHBondContact O-N 3.16Å; I399-V403 PolarHBondContact O-N 3.45Å
400	K	77.4	Confident	80.2	Confident	11 Å²	11	57.5 Å²	57.5	5%	0.048	30%	0.297	C	S	.	.	H	α-helix	trans	-52.4	-43.3	-178.8	-73.7	176.6	-171.7	172.8	0	112.6	E209 M210 L212 D402 V403 E404 L407 D606 H609	E209-K400 HydrophobicContact CB-CG 4.41Å; E209-K400 HydrophobicContact CG-CG 4.36Å; E209-K400 WeakPolarHBondContact OE2-CG 3.49Å; E209-K400 PolarHBondContact OE2-N 3.33Å; M210-K400 WeakPolarHBondContact O-CE 3.43Å; M210-K400 PolarHBondContact O-NZ 3.46Å; L212-K400 HydrophobicContact CD1-CG 4.48Å; L212-K400 HydrophobicContact CD2-CG 3.92Å; L212-K400 HydrophobicContact CG-CG 4.05Å; K400-D402 PolarHBondContact O-N 3.23Å; K400-V403 PolarHBondContact O-N 3.38Å; K400-E404 PolarHBondContact O-N 3.23Å; K400-L407 HydrophobicContact CD-CD2 4.23Å; K400-D606 IonicContact NZ-OD1 2.67Å; K400-D606 PolarHBondContact NZ-OD1 2.99Å; K400-D606 IonicContact NZ-OD2 2.99Å; K400-D606 PolarHBondContact NZ-OD2 3.39Å; K400-D606 VanDerWaalsContact NZ-OD2 3.13Å; K400-H609 PolarHBondContact NZ-O 3.07Å
401	T	75.5	Confident	81.1	Confident	108 Å²	108	62.1 Å²	62.1	66%	0.663	32%	0.317	S	S	*	.	H	α-helix	trans	-57.3	-29.6	179.2	51.1	0	0	0	0	113	I399	I399-T401 WeakPolarHBondContact CG2-OG1 3.39Å; I399-T401 PolarHBondContact O-N 2.98Å
402	D	76.4	Confident	81.8	Confident	107 Å²	107	64.6 Å²	64.6	57%	0.572	33%	0.328	S	S	*	.	H	α-helix	trans	-89.1	-28.2	-172.1	-55.6	-12.5	0	0	0	111.8	I399 K400	I399-D402 WeakPolarHBondContact O-CB 3.44Å; I399-D402 PolarHBondContact O-N 3.16Å; K400-D402 PolarHBondContact O-N 3.23Å
403	V	78.2	Confident	82.6	Confident	39 Å²	39	57.6 Å²	57.6	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-120	-28.4	-168	-58.8	0	0	0	0	115.2	Y186 L212 R398 I399 K400	Y186-V403 HydrophobicContact CD1-CB 3.87Å; Y186-V403 HydrophobicContact CD1-CG2 4.05Å; Y186-V403 HydrophobicContact CD2-CB 4.37Å; Y186-V403 HydrophobicContact CD2-CG2 4.05Å; Y186-V403 HydrophobicContact CE1-CG2 4.26Å; Y186-V403 HydrophobicContact CE2-CG2 4.26Å; Y186-V403 HydrophobicContact CG-CB 3.79Å; Y186-V403 HydrophobicContact CG-CG1 4.49Å; Y186-V403 HydrophobicContact CG-CG2 3.94Å; L212-V403 HydrophobicContact CD1-CG2 3.93Å; L212-V403 HydrophobicContact CD2-CG2 3.59Å; L212-V403 HydrophobicContact CG-CG2 4.42Å; R398-V403 HydrophobicContact CB-CG1 3.84Å; R398-V403 HydrophobicContact CG-CG1 4.16Å; I399-V403 PolarHBondContact O-N 3.45Å; K400-V403 PolarHBondContact O-N 3.38Å
404	E	71.2	Confident	83.4	Confident	16 Å²	16	56.5 Å²	56.5	8%	0.075	29%	0.291	C	S	.	.			trans	-116	78.2	-173.5	-174.8	73	-132.1	0	0	109.8	Y186 L212 K400 S406 L407	Y186-E404 HydrophobicContact CE1-CB 4.36Å; Y186-E404 WeakPolarHBondContact CE1-OE2 3.19Å; Y186-E404 PolarHBondContact OH-OE2 3.41Å; L212-E404 HydrophobicContact CD2-CB 4.26Å; K400-E404 PolarHBondContact O-N 3.23Å; E404-S406 PolarHBondContact O-N 3.05Å; E404-S406 PolarHBondContact OE1-OG 3.14Å; E404-L407 HydrophobicContact CG-CB 3.56Å
405	K	72.1	Confident	83.9	Confident	192 Å²	192	56.5 Å²	56.5	84%	0.835	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.6	177.4	-61.5	-174.3	-179.8	-177	0	113.4
406	S	76.5	Confident	84.2	Confident	85 Å²	85	56 Å²	56	59%	0.594	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-14.1	179.9	30	0	0	0	0	114.9	E404 P408	E404-S406 PolarHBondContact O-N 3.05Å; E404-S406 PolarHBondContact OE1-OG 3.14Å; S406-P408 WeakPolarHBondContact O-CD 3.38Å
407	L	80.5	Confident	84.3	Confident	24 Å²	24	55 Å²	55	13%	0.126	28%	0.281	C	S	.	.	S	Bend	trans	-73.2	124.1	178.6	-175	67.9	0	0	0	109	K400 E404 H609 R610 Q613	K400-L407 HydrophobicContact CD-CD2 4.23Å; E404-L407 HydrophobicContact CG-CB 3.56Å; L407-H609 WeakPolarHBondContact CD2-CE1 3.37Å; L407-H609 WeakPolarHBondContact CD2-NE2 3.31Å; L407-R610 WeakPolarHBondContact CD1-O 3.18Å; L407-Q613 HydrophobicContact CD1-CB 4.09Å
408	P	85	Confident	84.5	Confident	26 Å²	26	51.7 Å²	51.7	17%	0.169	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-54.1	143.9	174.9	-26.8	35.9	0	0	0	111.1	S406 H609 K615 P616	S406-P408 WeakPolarHBondContact O-CD 3.38Å; P408-H609 PolarHBondContact O-NE2 3.25Å; P408-K615 WeakPolarHBondContact CB-O 3.43Å; P408-P616 HydrophobicContact CB-CB 4.48Å
409	P	87.2	Confident	84.7	Confident	96 Å²	96	50.4 Å²	50.4	62%	0.623	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-64.9	152.7	-175.2	27.3	-34.7	0	0	0	111.1	P616 V617	P409-P616 WeakPolarHBondContact O-CA 3.26Å; P409-V617 PolarHBondContact O-N 3.21Å; P409-V617 VanDerWaalsContact O-N 3.08Å
410	K	90.1	Very high	85.2	Confident	74 Å²	74	48.1 Å²	48.1	32%	0.322	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139	163.9	64.4	174	174.9	-176.5	0	110	D606 H609 V617	K410-D606 IonicContact NZ-OD1 2.7Å; K410-H609 HydrophobicContact CB-CB 4.49Å; K410-H609 HydrophobicContact CD-CB 4.32Å; K410-V617 CarbonylContact C-O 3.53Å; K410-V617 VanDerWaalsContact CA-O 3.23Å; K410-V617 WeakPolarHBondContact CA-O 3.49Å; K410-V617 HydrophobicContact CB-CB 4.26Å
411	K	90.9	Very high	85.8	Confident	97 Å²	97	54.5 Å²	54.5	42%	0.422	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.3	174.5	-170.4	-178.6	-172.6	-176.1	0	108.9	I413 V617 V619 E697	K411-I413 HydrophobicContact CD-CD1 4.42Å; K411-I413 HydrophobicContact CG-CG1 4.39Å; K411-V617 PolarHBondContact N-O 3.37Å; K411-V619 PolarHBondContact O-N 2.79Å; K411-E697 WeakPolarHBondContact CE-OE1 3.46Å; K411-E697 IonicContact NZ-OE1 2.7Å; K411-E697 PolarHBondContact NZ-OE1 2.92Å; K411-E697 IonicContact NZ-OE2 3.09Å; K411-E697 PolarHBondContact NZ-OE2 3.05Å
412	E	92.9	Very high	86.5	Confident	54 Å²	54	50.7 Å²	50.7	25%	0.252	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.1	173.7	-175.6	173.1	179.4	0	0	110.1	V619 R621	E412-V619 CarbonylContact C-O 3.58Å; E412-V619 WeakPolarHBondContact CA-O 3.29Å; E412-V619 HydrophobicContact CB-CB 4.23Å; E412-V619 HydrophobicContact CG-CB 4.29Å; E412-V619 HydrophobicContact CG-CG1 4.28Å; E412-R621 IonicContact OE1-CZ 2.68Å; E412-R621 IonicContact OE1-NE 3.67Å; E412-R621 PolarHBondContact OE1-NE 3.3Å; E412-R621 IonicContact OE1-NH2 3.47Å; E412-R621 PolarHBondContact OE1-NH2 3.45Å; E412-R621 VanDerWaalsContact OE1-NH2 3.15Å
413	I	94.4	Very high	87.4	Confident	13 Å²	13	45.6 Å²	45.6	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.1	178.2	-59.5	172.6	0	0	0	107.5	K411 I415 V619 F620 R621 E697	K411-I413 HydrophobicContact CD-CD1 4.42Å; K411-I413 HydrophobicContact CG-CG1 4.39Å; I413-I415 HydrophobicContact CG2-CG1 4.39Å; I413-V619 PolarHBondContact N-O 2.93Å; I413-F620 HydrophobicContact CB-CD1 4.08Å; I413-F620 HydrophobicContact CB-CE1 4.36Å; I413-F620 HydrophobicContact CD1-CD1 4.46Å; I413-F620 HydrophobicContact CD1-CE1 3.88Å; I413-F620 HydrophobicContact CG2-CD1 4.49Å; I413-F620 WeakPolarHBondContact O-CA 3.21Å; I413-R621 PolarHBondContact O-N 3.29Å; I413-E697 HydrophobicContact CG2-CB 4.43Å
414	K	94.5	Very high	87.9	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.7	177.5	-62.5	171.9	-176.8	170.1	0	108.9	Y416 R621 I623 V633 E637 G696 T700 M703	K414-Y416 HydrophobicContact CB-CD2 4.39Å; K414-Y416 HydrophobicContact CB-CE2 3.74Å; K414-R621 HydrophobicContact CG-CB 4.37Å; K414-I623 HydrophobicContact CB-CD1 3.93Å; K414-I623 HydrophobicContact CD-CD1 4.3Å; K414-I623 HydrophobicContact CG-CD1 4.17Å; K414-V633 HydrophobicContact CD-CG1 4.42Å; K414-E637 WeakPolarHBondContact CE-OE1 3.16Å; K414-E637 VanDerWaalsContact NZ-CG 3.28Å; K414-E637 IonicContact NZ-OE1 2.69Å; K414-E637 PolarHBondContact NZ-OE1 3.28Å; K414-E637 IonicContact NZ-OE2 3.92Å; K414-G696 CarbonylContact O-C 3.54Å; K414-G696 WeakPolarHBondContact O-CA 3.45Å; K414-T700 WeakPolarHBondContact CB-OG1 3.38Å; K414-T700 HydrophobicContact CD-CG2 4.23Å; K414-T700 HydrophobicContact CG-CG2 4.24Å; K414-T700 PolarHBondContact N-OG1 3.18Å; K414-M703 HydrophobicContact CD-CE 3.31Å
415	I	93.9	Very high	88.8	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.9	-177.6	-51	178.9	0	0	0	107.6	I413 L417 V490 L494 F620 R621 L622 I623 I692 L693	I413-I415 HydrophobicContact CG2-CG1 4.39Å; I415-L417 HydrophobicContact CG2-CD2 3.6Å; I415-L417 HydrophobicContact CG2-CG 4.15Å; I415-V490 HydrophobicContact CG2-CG1 4.23Å; I415-L494 HydrophobicContact CD1-CD2 4.49Å; I415-F620 HydrophobicContact CD1-CB 4.01Å; I415-F620 HydrophobicContact CD1-CD1 3.87Å; I415-F620 HydrophobicContact CD1-CG 4.26Å; I415-R621 PolarHBondContact N-O 3.08Å; I415-L622 HydrophobicContact CB-CD2 4.1Å; I415-L622 HydrophobicContact CD1-CD2 3.9Å; I415-L622 HydrophobicContact CG1-CD2 4.42Å; I415-I623 PolarHBondContact O-N 2.97Å; I415-I692 HydrophobicContact CG2-CG2 3.48Å; I415-I692 VanDerWaalsContact CG2-CG2 3.48Å; I415-L693 HydrophobicContact CD1-CD2 3.54Å; I415-L693 HydrophobicContact CG1-CD2 4.16Å
416	Y	90.9	Very high	89.7	Confident	37 Å²	37	41.6 Å²	41.6	15%	0.145	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.2	179.8	-68.1	-97.6	0	0	0	109.7	K414 I623 D625 E630 K699	K414-Y416 HydrophobicContact CB-CD2 4.39Å; K414-Y416 HydrophobicContact CB-CE2 3.74Å; Y416-I623 CarbonylContact C-O 3.5Å; Y416-I623 WeakPolarHBondContact CA-O 3.49Å; Y416-I623 HydrophobicContact CD1-CB 4.25Å; Y416-I623 HydrophobicContact CD1-CG2 4.14Å; Y416-I623 HydrophobicContact CE1-CB 4.44Å; Y416-I623 HydrophobicContact CE1-CD1 4.15Å; Y416-I623 HydrophobicContact CE1-CG2 4.13Å; Y416-I623 HydrophobicContact CE2-CD1 4.46Å; Y416-D625 HydrophobicContact CD1-CB 4.5Å; Y416-D625 VanDerWaalsContact CD1-OD1 3.25Å; Y416-D625 WeakPolarHBondContact CD1-OD1 3.19Å; Y416-E630 HydrophobicContact CE1-CG 4.19Å; Y416-K699 HydrophobicContact CD1-CD 4.25Å; Y416-K699 HydrophobicContact CD2-CB 4.38Å; Y416-K699 HydrophobicContact CD2-CD 3.49Å; Y416-K699 VanDerWaalsContact CD2-CD 3.49Å; Y416-K699 HydrophobicContact CD2-CG 4.05Å; Y416-K699 HydrophobicContact CE1-CD 4.3Å; Y416-K699 HydrophobicContact CE2-CB 4.22Å; Y416-K699 HydrophobicContact CE2-CD 3.55Å; Y416-K699 HydrophobicContact CE2-CG 3.7Å; Y416-K699 HydrophobicContact CG-CD 3.84Å
417	L	89.8	Confident	90.4	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.058	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.4	-166.6	-56.1	177.3	0	0	0	111.2	I415 K487 V490 L622 I623 T624 D625	I415-L417 HydrophobicContact CG2-CD2 3.6Å; I415-L417 HydrophobicContact CG2-CG 4.15Å; L417-K487 HydrophobicContact CD1-CB 4.43Å; L417-K487 HydrophobicContact CD1-CG 4.01Å; L417-V490 HydrophobicContact CD1-CB 4.11Å; L417-V490 HydrophobicContact CD1-CG2 4.3Å; L417-V490 HydrophobicContact CD2-CB 3.86Å; L417-V490 HydrophobicContact CD2-CG1 4.06Å; L417-V490 HydrophobicContact CD2-CG2 3.29Å; L417-V490 HydrophobicContact CG-CG2 4.41Å; L417-L622 HydrophobicContact CD1-CB 4.31Å; L417-L622 HydrophobicContact CD1-CD2 4.36Å; L417-I623 PolarHBondContact N-O 3.42Å; L417-T624 CarbonylContact O-C 3.54Å; L417-T624 WeakPolarHBondContact O-CA 3.42Å; L417-D625 PolarHBondContact O-N 3.37Å
418	G	89.9	Confident	90.8	Very high	13 Å²	13	37.6 Å²	37.6	13%	0.134	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-74.7	162.5	172.5	0	0	0	0	0	113.3	L684	G418-L684 WeakPolarHBondContact O-CD2 3.49Å
419	L	91	Very high	91	Very high	2 Å²	2	42 Å²	42	1%	0.01	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-78	137.8	171.2	-70.3	163.6	0	0	0	110.6	Q423 T624 T627 V676	L419-Q423 HydrophobicContact CB-CB 4.18Å; L419-Q423 HydrophobicContact CD2-CB 3.71Å; L419-T624 HydrophobicContact CD2-CG2 3.56Å; L419-T624 HydrophobicContact CG-CG2 3.79Å; L419-T627 HydrophobicContact CD1-CG2 4.04Å; L419-T627 HydrophobicContact CD2-CG2 4.32Å; L419-T627 HydrophobicContact CG-CG2 4.25Å; L419-V676 HydrophobicContact CD1-CG2 3.81Å
420	S	91.5	Very high	91.1	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-64	162.5	165.7	83.5	0	0	0	0	111.1	M422 Q423 R424 N484	S420-M422 VanDerWaalsContact C-N 3.28Å; S420-M422 PolarHBondContact O-N 2.81Å; S420-M422 PolarHBondContact OG-N 3.31Å; S420-Q423 PolarHBondContact O-N 3.15Å; S420-Q423 WeakPolarHBondContact OG-CB 3.48Å; S420-Q423 VanDerWaalsContact OG-CG 3.31Å; S420-Q423 WeakPolarHBondContact OG-CG 3.4Å; S420-Q423 PolarHBondContact OG-N 3.1Å; S420-Q423 PolarHBondContact OG-OE1 3.17Å; S420-R424 PolarHBondContact O-N 3.18Å; S420-N484 VanDerWaalsContact OG-C 3.31Å; S420-N484 PolarHBondContact OG-O 3.35Å
421	K	90.3	Very high	90.9	Very high	146 Å²	146	34.7 Å²	34.7	64%	0.635	16%	0.159	S	C	*	.	H	α-helix	trans	-52	-48.9	174.4	-176.4	-179.1	177.3	-177.4	0	111.7	R424 E425	K421-R424 PolarHBondContact O-N 3.16Å; K421-E425 WeakPolarHBondContact CE-OE1 3.41Å; K421-E425 WeakPolarHBondContact O-CG 3.45Å; K421-E425 PolarHBondContact O-N 3.3Å; K421-E425 VanDerWaalsContact O-N 3.07Å
422	M	90.3	Very high	90.5	Very high	27 Å²	27	34 Å²	34	13%	0.133	16%	0.158	C	C	.	.	H	α-helix	trans	-66.2	-42.8	180	-170.6	-177.6	-178.9	0	0	111.7	S420 R424 E425 W426 P463 Y464 A469 N484	S420-M422 VanDerWaalsContact C-N 3.28Å; S420-M422 PolarHBondContact O-N 2.81Å; S420-M422 PolarHBondContact OG-N 3.31Å; M422-R424 VanDerWaalsContact C-N 3.32Å; M422-R424 PolarHBondContact O-N 2.87Å; M422-E425 PolarHBondContact O-N 3.47Å; M422-W426 VanDerWaalsContact O-CD1 3.25Å; M422-W426 PolarHBondContact O-N 3.41Å; M422-P463 HydrophobicContact CB-CG 4.25Å; M422-P463 HydrophobicContact CE-CB 3.64Å; M422-P463 HydrophobicContact CG-CB 3.92Å; M422-P463 HydrophobicContact CG-CG 3.94Å; M422-P463 HydrophobicContact SD-CB 3.68Å; M422-P463 HydrophobicContact SD-CG 3.97Å; M422-Y464 HydrophobicContact CE-CD1 4.33Å; M422-Y464 HydrophobicContact CE-CE1 4.11Å; M422-Y464 HydrophobicContact SD-CE1 4.11Å; M422-A469 HydrophobicContact CE-CB 3.57Å; M422-A469 WeakPolarHBondContact CE-O 3.3Å; M422-N484 HydrophobicContact SD-CB 3.86Å
423	Q	93.3	Very high	90	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-45.2	174.9	-72.5	177.9	-63.3	0	0	110.9	L419 S420 E425 W426 Y427 C459 C460 P463	L419-Q423 HydrophobicContact CB-CB 4.18Å; L419-Q423 HydrophobicContact CD2-CB 3.71Å; S420-Q423 PolarHBondContact O-N 3.15Å; S420-Q423 WeakPolarHBondContact OG-CB 3.48Å; S420-Q423 VanDerWaalsContact OG-CG 3.31Å; S420-Q423 WeakPolarHBondContact OG-CG 3.4Å; S420-Q423 PolarHBondContact OG-N 3.1Å; S420-Q423 PolarHBondContact OG-OE1 3.17Å; Q423-E425 PolarHBondContact O-N 2.69Å; Q423-W426 PolarHBondContact O-N 3.41Å; Q423-Y427 VanDerWaalsContact O-CB 3.29Å; Q423-Y427 WeakPolarHBondContact O-CB 3.29Å; Q423-Y427 PolarHBondContact O-N 3.29Å; Q423-C459 WeakPolarHBondContact CG-O 3.4Å; Q423-C459 PolarHBondContact NE2-O 2.89Å; Q423-C459 PolarHBondContact O-SG 3.45Å; Q423-C460 PolarHBondContact NE2-O 3.33Å; Q423-P463 HydrophobicContact CB-CG 4.43Å; Q423-P463 HydrophobicContact CG-CG 3.54Å
424	R	89.4	Confident	89.1	Confident	21 Å²	21	41.3 Å²	41.3	8%	0.079	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-46.5	177.8	-174.7	178.6	-64.6	147.3	0.2	112.4	S420 K421 M422 W426 Y427 T428 V676 S679 K680 E681 E683	S420-R424 PolarHBondContact O-N 3.18Å; K421-R424 PolarHBondContact O-N 3.16Å; M422-R424 VanDerWaalsContact C-N 3.32Å; M422-R424 PolarHBondContact O-N 2.87Å; R424-W426 VanDerWaalsContact C-N 3.3Å; R424-W426 PolarHBondContact O-N 3.38Å; R424-Y427 PolarHBondContact O-N 3.46Å; R424-T428 VanDerWaalsContact O-CB 3.31Å; R424-T428 WeakPolarHBondContact O-CB 3.27Å; R424-T428 PolarHBondContact O-N 2.87Å; R424-T428 PolarHBondContact O-OG1 3.44Å; R424-V676 HydrophobicContact CG-CG1 4.05Å; R424-S679 PolarHBondContact NE-OG 2.88Å; R424-S679 PolarHBondContact NH2-OG 2.87Å; R424-K680 VanDerWaalsContact NH1-C 3.29Å; R424-K680 PolarHBondContact NH1-O 3.46Å; R424-E681 VanDerWaalsContact NH1-CA 3.33Å; R424-E681 PolarHBondContact NH1-O 2.99Å; R424-E681 PolarHBondContact NH2-O 3.24Å; R424-E683 IonicContact CZ-OE1 3.57Å; R424-E683 IonicContact NH2-OE1 2.82Å; R424-E683 PolarHBondContact NH2-OE1 3.11Å
425	E	90	Very high	88.2	Confident	86 Å²	86	42.3 Å²	42.3	40%	0.402	20%	0.196	S	C	.	.	H	α-helix	trans	-58	-44.6	178.8	-72.8	175	-163.6	0	0	111.4	K421 M422 Q423 K429	K421-E425 WeakPolarHBondContact CE-OE1 3.41Å; K421-E425 WeakPolarHBondContact O-CG 3.45Å; K421-E425 PolarHBondContact O-N 3.3Å; K421-E425 VanDerWaalsContact O-N 3.07Å; M422-E425 PolarHBondContact O-N 3.47Å; Q423-E425 PolarHBondContact O-N 2.69Å; E425-K429 WeakPolarHBondContact O-CB 3.42Å; E425-K429 WeakPolarHBondContact O-CG 3.48Å; E425-K429 PolarHBondContact O-N 2.89Å
426	W	90.9	Very high	87.3	Confident	56 Å²	56	45.9 Å²	45.9	21%	0.212	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-42.6	176.6	-82.4	91	0	0	0	112.6	M422 Q423 R424 T428 K429 I430 F466 A469	M422-W426 VanDerWaalsContact O-CD1 3.25Å; M422-W426 PolarHBondContact O-N 3.41Å; Q423-W426 PolarHBondContact O-N 3.41Å; R424-W426 VanDerWaalsContact C-N 3.3Å; R424-W426 PolarHBondContact O-N 3.38Å; W426-T428 VanDerWaalsContact C-N 3.33Å; W426-T428 PolarHBondContact O-N 2.82Å; W426-K429 PolarHBondContact O-N 2.72Å; W426-I430 WeakPolarHBondContact O-CD1 3.25Å; W426-I430 WeakPolarHBondContact O-CG1 3.5Å; W426-I430 PolarHBondContact O-N 2.94Å; W426-F466 HydrophobicContact CD2-CB 4.44Å; W426-F466 AromaticContact CD2-CD2 3.98Å; W426-F466 HydrophobicContact CD2-CD2 3.98Å; W426-F466 HydrophobicContact CD2-CG 4.29Å; W426-F466 HydrophobicContact CE3-CB 3.93Å; W426-F466 HydrophobicContact CE3-CD1 4.11Å; W426-F466 AromaticContact CE3-CD2 3.68Å; W426-F466 HydrophobicContact CE3-CD2 3.68Å; W426-F466 HydrophobicContact CE3-CE2 4.22Å; W426-F466 AromaticContact CE3-CG 3.64Å; W426-F466 HydrophobicContact CE3-CG 3.64Å; W426-F466 HydrophobicContact CG-CD2 4.42Å; W426-F466 HydrophobicContact CH2-CB 3.62Å; W426-F466 HydrophobicContact CH2-CG 4.25Å; W426-F466 HydrophobicContact CZ2-CB 4.17Å; W426-F466 HydrophobicContact CZ3-CB 3.49Å; W426-F466 VanDerWaalsContact CZ3-CB 3.49Å; W426-F466 AromaticContact CZ3-CD1 3.98Å; W426-F466 HydrophobicContact CZ3-CD1 3.98Å; W426-F466 HydrophobicContact CZ3-CD2 4.14Å; W426-F466 AromaticContact CZ3-CG 3.61Å; W426-F466 HydrophobicContact CZ3-CG 3.61Å; W426-A469 HydrophobicContact CH2-CB 4.37Å; W426-A469 HydrophobicContact CZ2-CB 3.56Å
427	Y	91.7	Very high	86.3	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-46.4	177.8	-158.4	-80	0	0	0	110.7	Q423 R424 I430 L431 L456 C459 T627 V628 V676	Q423-Y427 VanDerWaalsContact O-CB 3.29Å; Q423-Y427 WeakPolarHBondContact O-CB 3.29Å; Q423-Y427 PolarHBondContact O-N 3.29Å; R424-Y427 PolarHBondContact O-N 3.46Å; Y427-I430 PolarHBondContact O-N 3.25Å; Y427-L431 HydrophobicContact CD1-CD1 3.66Å; Y427-L431 HydrophobicContact CD1-CG 4.1Å; Y427-L431 HydrophobicContact CE1-CD1 3.68Å; Y427-L431 HydrophobicContact CE1-CD2 4.46Å; Y427-L431 HydrophobicContact CE1-CG 4.15Å; Y427-L431 WeakPolarHBondContact O-CG 3.4Å; Y427-L431 PolarHBondContact O-N 3.1Å; Y427-L456 HydrophobicContact CD1-CD2 3.89Å; Y427-L456 HydrophobicContact CD2-CD2 3.88Å; Y427-L456 HydrophobicContact CE1-CD2 3.77Å; Y427-L456 HydrophobicContact CE2-CB 3.87Å; Y427-L456 HydrophobicContact CE2-CD2 3.73Å; Y427-L456 HydrophobicContact CE2-CG 4.27Å; Y427-L456 HydrophobicContact CG-CD2 3.96Å; Y427-C459 HydrophobicContact CD2-CB 4.24Å; Y427-C459 PolarHBondContact N-SG 3.11Å; Y427-C459 VanDerWaalsContact N-SG 3.39Å; Y427-T627 HydrophobicContact CE2-CG2 4.17Å; Y427-V628 PolarHBondContact OH-N 2.9Å; Y427-V676 HydrophobicContact CD1-CB 4.21Å; Y427-V676 HydrophobicContact CD1-CG1 4.04Å; Y427-V676 HydrophobicContact CD1-CG2 3.76Å; Y427-V676 HydrophobicContact CE1-CG2 3.89Å; Y427-V676 HydrophobicContact CG-CG2 4.44Å
428	T	89.2	Confident	85.3	Confident	26 Å²	26	44.7 Å²	44.7	16%	0.16	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-46.5	176.2	-52.8	0	0	0	0	111.1	R424 W426 I430 L431 M432 V676 F677	R424-T428 VanDerWaalsContact O-CB 3.31Å; R424-T428 WeakPolarHBondContact O-CB 3.27Å; R424-T428 PolarHBondContact O-N 2.87Å; R424-T428 PolarHBondContact O-OG1 3.44Å; W426-T428 VanDerWaalsContact C-N 3.33Å; W426-T428 PolarHBondContact O-N 2.82Å; T428-I430 VanDerWaalsContact C-N 3.32Å; T428-I430 PolarHBondContact O-N 3.32Å; T428-L431 PolarHBondContact O-N 3.45Å; T428-M432 HydrophobicContact CG2-CE 3.79Å; T428-M432 HydrophobicContact CG2-CG 4.34Å; T428-M432 HydrophobicContact CG2-SD 4.05Å; T428-M432 WeakPolarHBondContact O-CB 3.35Å; T428-M432 WeakPolarHBondContact O-CG 3.45Å; T428-M432 PolarHBondContact O-N 3.13Å; T428-V676 WeakPolarHBondContact OG1-CG1 3.43Å; T428-F677 HydrophobicContact CG2-CD1 4.25Å; T428-F677 HydrophobicContact CG2-CE1 3.79Å
429	K	88.1	Confident	84.2	Confident	119 Å²	119	45.4 Å²	45.4	52%	0.517	21%	0.212	S	C	.	.	H	α-helix	trans	-58.7	-41.4	176.6	-77.3	169.9	-175.3	173	0	112.3	E425 W426 K433	E425-K429 WeakPolarHBondContact O-CB 3.42Å; E425-K429 WeakPolarHBondContact O-CG 3.48Å; E425-K429 PolarHBondContact O-N 2.89Å; W426-K429 PolarHBondContact O-N 2.72Å; K429-K433 WeakPolarHBondContact O-CB 3.34Å; K429-K433 PolarHBondContact O-N 2.94Å
430	I	89	Confident	82.9	Confident	16 Å²	16	48 Å²	48	8%	0.082	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-46.7	177.8	-66.7	157.2	0	0	0	110.3	W426 Y427 T428 K433 I452 Q455 L456 C459 F466	W426-I430 WeakPolarHBondContact O-CD1 3.25Å; W426-I430 WeakPolarHBondContact O-CG1 3.5Å; W426-I430 PolarHBondContact O-N 2.94Å; Y427-I430 PolarHBondContact O-N 3.25Å; T428-I430 VanDerWaalsContact C-N 3.32Å; T428-I430 PolarHBondContact O-N 3.32Å; I430-K433 PolarHBondContact O-N 3.31Å; I430-I452 HydrophobicContact CG2-CG2 4.5Å; I430-Q455 HydrophobicContact CD1-CB 3.98Å; I430-Q455 HydrophobicContact CG1-CB 4.26Å; I430-Q455 HydrophobicContact CG2-CB 3.92Å; I430-L456 HydrophobicContact CB-CD2 3.96Å; I430-L456 HydrophobicContact CD1-CD2 4.41Å; I430-L456 HydrophobicContact CG2-CD2 3.58Å; I430-L456 HydrophobicContact CG2-CG 4.08Å; I430-C459 HydrophobicContact CD1-CB 4.01Å; I430-F466 HydrophobicContact CD1-CE1 4.05Å; I430-F466 HydrophobicContact CD1-CE2 4.21Å; I430-F466 HydrophobicContact CD1-CZ 3.5Å
431	L	86.6	Confident	81.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-43.2	178.7	-68.1	175.1	0	0	0	112.6	Y427 T428 D434 I435 L438 L456 I669 A673 F677	Y427-L431 HydrophobicContact CD1-CD1 3.66Å; Y427-L431 HydrophobicContact CD1-CG 4.1Å; Y427-L431 HydrophobicContact CE1-CD1 3.68Å; Y427-L431 HydrophobicContact CE1-CD2 4.46Å; Y427-L431 HydrophobicContact CE1-CG 4.15Å; Y427-L431 WeakPolarHBondContact O-CG 3.4Å; Y427-L431 PolarHBondContact O-N 3.1Å; T428-L431 PolarHBondContact O-N 3.45Å; L431-D434 CarbonylContact O-C 3.59Å; L431-D434 PolarHBondContact O-N 3.26Å; L431-I435 PolarHBondContact O-N 3.28Å; L431-I435 VanDerWaalsContact O-N 3.1Å; L431-L438 HydrophobicContact CB-CD1 4.43Å; L431-L438 HydrophobicContact CD2-CD1 3.83Å; L431-L456 HydrophobicContact CD2-CD1 4.03Å; L431-L456 HydrophobicContact CD2-CD2 4.09Å; L431-L456 HydrophobicContact CG-CD2 4.19Å; L431-I669 HydrophobicContact CD2-CG2 3.69Å; L431-A673 HydrophobicContact CD1-CB 3.65Å; L431-A673 HydrophobicContact CD2-CB 4.13Å; L431-A673 HydrophobicContact CG-CB 4.49Å; L431-F677 HydrophobicContact CB-CE2 4.44Å; L431-F677 HydrophobicContact CB-CZ 3.86Å; L431-F677 HydrophobicContact CD1-CE2 4.1Å; L431-F677 HydrophobicContact CD1-CZ 4.03Å
432	M	83.4	Confident	79.6	Confident	82 Å²	82	48.9 Å²	48.9	40%	0.404	26%	0.262	S	S	.	.	H	α-helix	trans	-65.7	-37.8	179.9	-75.5	-175.7	170.7	0	0	112.3	T428 D434 I435 F677 Y734	T428-M432 HydrophobicContact CG2-CE 3.79Å; T428-M432 HydrophobicContact CG2-CG 4.34Å; T428-M432 HydrophobicContact CG2-SD 4.05Å; T428-M432 WeakPolarHBondContact O-CB 3.35Å; T428-M432 WeakPolarHBondContact O-CG 3.45Å; T428-M432 PolarHBondContact O-N 3.13Å; M432-D434 PolarHBondContact O-N 3.32Å; M432-I435 PolarHBondContact O-N 3.33Å; M432-F677 HydrophobicContact CE-CE1 4.04Å; M432-F677 HydrophobicContact CG-CE1 4.23Å; M432-F677 HydrophobicContact CG-CZ 4.44Å; M432-Y734 HydrophobicContact CE-CD1 4.37Å; M432-Y734 HydrophobicContact CE-CE1 4.23Å
433	K	81.9	Confident	77.9	Confident	177 Å²	177	58.5 Å²	58.5	77%	0.77	30%	0.303	S	S	*	.	H	α-helix	trans	-60.1	-35.5	178.5	-174.6	-177.9	176.9	-179.4	0	112.5	K429 I430	K429-K433 WeakPolarHBondContact O-CB 3.34Å; K429-K433 PolarHBondContact O-N 2.94Å; I430-K433 PolarHBondContact O-N 3.31Å
434	D	76.1	Confident	76.5	Confident	44 Å²	44	60 Å²	60	24%	0.235	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	23.7	-176.1	-70	-64.3	0	0	0	112.7	L431 M432 D436 V437 L438 I452	L431-D434 CarbonylContact O-C 3.59Å; L431-D434 PolarHBondContact O-N 3.26Å; M432-D434 PolarHBondContact O-N 3.32Å; D434-D436 VanDerWaalsContact C-N 3.26Å; D434-D436 PolarHBondContact O-N 2.65Å; D434-V437 HydrophobicContact CB-CG2 4.5Å; D434-V437 WeakPolarHBondContact O-CB 3.37Å; D434-V437 PolarHBondContact O-N 3.39Å; D434-L438 PolarHBondContact O-N 3.25Å; D434-I452 HydrophobicContact CB-CD1 3.57Å; D434-I452 HydrophobicContact CB-CG1 3.96Å
435	I	75.7	Confident	75.6	Confident	22 Å²	22	64.2 Å²	64.2	11%	0.113	34%	0.335	C	S	.	.	H	α-helix	trans	-58.5	-34.4	-173.6	-163.3	165.7	0	0	0	113.5	L431 M432 V437 L438 N439 Y727	L431-I435 PolarHBondContact O-N 3.28Å; L431-I435 VanDerWaalsContact O-N 3.1Å; M432-I435 PolarHBondContact O-N 3.33Å; I435-V437 VanDerWaalsContact C-N 3.26Å; I435-V437 PolarHBondContact O-N 3.06Å; I435-L438 PolarHBondContact O-N 3.46Å; I435-L438 VanDerWaalsContact O-N 3.17Å; I435-N439 PolarHBondContact O-N 3.11Å; I435-N439 PolarHBondContact O-ND2 3.47Å; I435-Y727 HydrophobicContact CD1-CE1 4.46Å; I435-Y727 HydrophobicContact CG1-CE1 4.41Å
436	D	73.2	Confident	74.9	Confident	77 Å²	77	62.8 Å²	62.8	41%	0.412	33%	0.327	S	S	.	.	H	α-helix	trans	-66	-32.3	178.7	-59.9	-30.7	0	0	0	111.5	D434 S440 Y727 Q738	D434-D436 VanDerWaalsContact C-N 3.26Å; D434-D436 PolarHBondContact O-N 2.65Å; D436-S440 VanDerWaalsContact O-CB 3.28Å; D436-S440 WeakPolarHBondContact O-CB 3.32Å; D436-S440 PolarHBondContact O-N 2.94Å; D436-S440 VanDerWaalsContact O-N 3.08Å; D436-Y727 PolarHBondContact OD1-OH 3.49Å; D436-Q738 PolarHBondContact OD2-NE2 3.01Å; D436-Q738 VanDerWaalsContact OD2-NE2 3.09Å
437	V	71.8	Confident	74.1	Confident	22 Å²	22	64.6 Å²	64.6	13%	0.133	34%	0.339	C	S	.	.	H	α-helix	trans	-71.1	-38.2	175.2	-176.4	0	0	0	0	110.6	D434 I435 N439 L449 I452	D434-V437 HydrophobicContact CB-CG2 4.5Å; D434-V437 WeakPolarHBondContact O-CB 3.37Å; D434-V437 PolarHBondContact O-N 3.39Å; I435-V437 VanDerWaalsContact C-N 3.26Å; I435-V437 PolarHBondContact O-N 3.06Å; V437-N439 VanDerWaalsContact C-N 3.27Å; V437-N439 PolarHBondContact O-N 3.45Å; V437-L449 HydrophobicContact CG1-CD2 3.99Å; V437-I452 HydrophobicContact CB-CD1 4.36Å; V437-I452 HydrophobicContact CG1-CD1 4.16Å
438	L	67.5	Low	73.5	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-69	-26.9	-177.3	-59.3	-179.5	0	0	0	113.3	L431 D434 I435 L666 I669 R670 L726	L431-L438 HydrophobicContact CB-CD1 4.43Å; L431-L438 HydrophobicContact CD2-CD1 3.83Å; D434-L438 PolarHBondContact O-N 3.25Å; I435-L438 PolarHBondContact O-N 3.46Å; I435-L438 VanDerWaalsContact O-N 3.17Å; L438-L666 HydrophobicContact CD2-CD1 4.31Å; L438-I669 HydrophobicContact CD1-CG2 4.18Å; L438-I669 HydrophobicContact CD2-CB 4.13Å; L438-I669 HydrophobicContact CD2-CD1 4.38Å; L438-I669 HydrophobicContact CD2-CG2 3.39Å; L438-I669 HydrophobicContact CG-CG2 4.44Å; L438-R670 PolarHBondContact O-NE 3.19Å; L438-R670 VanDerWaalsContact O-NE 3.11Å; L438-R670 PolarHBondContact O-NH2 3.42Å; L438-L726 HydrophobicContact CB-CD1 3.73Å; L438-L726 HydrophobicContact CD1-CD1 4.2Å
439	N	68.1	Low	73	Confident	27 Å²	27	70.7 Å²	70.7	14%	0.144	36%	0.359	C	S	.	.	H	α-helix	trans	-101.9	-15.9	-179.2	-69.2	-56.1	0	0	0	114.2	I435 V437 S441 L726 Y727	I435-N439 PolarHBondContact O-N 3.11Å; I435-N439 PolarHBondContact O-ND2 3.47Å; V437-N439 VanDerWaalsContact C-N 3.27Å; V437-N439 PolarHBondContact O-N 3.45Å; N439-S441 PolarHBondContact O-N 3.32Å; N439-L726 WeakPolarHBondContact OD1-CB 3.37Å; N439-L726 PolarHBondContact OD1-N 2.69Å; N439-L726 VanDerWaalsContact OD1-N 3.15Å; N439-Y727 HydrophobicContact CB-CD2 3.95Å; N439-Y727 HydrophobicContact CB-CE2 3.28Å; N439-Y727 WeakPolarHBondContact ND2-CD2 3.11Å; N439-Y727 WeakPolarHBondContact ND2-CE2 3.34Å
440	S	63.6	Low	72.6	Confident	57 Å²	57	66.2 Å²	66.2	40%	0.399	34%	0.341	S	S	.	.			trans	-68.9	122	178.5	-172.6	0	0	0	0	111.5	D436 G442 M444	D436-S440 VanDerWaalsContact O-CB 3.28Å; D436-S440 WeakPolarHBondContact O-CB 3.32Å; D436-S440 PolarHBondContact O-N 2.94Å; D436-S440 VanDerWaalsContact O-N 3.08Å; S440-G442 VanDerWaalsContact C-N 3.28Å; S440-G442 PolarHBondContact OG-N 3.46Å; S440-M444 WeakPolarHBondContact O-CE 3.42Å; S440-M444 VanDerWaalsContact O-SD 3.36Å
441	S	55.6	Low	72.3	Confident	125 Å²	125	69.8 Å²	69.8	87%	0.874	36%	0.36	S	S	*	.			trans	-83.9	1.6	172.5	35.3	0	0	0	0	113.4	N439	N439-S441 PolarHBondContact O-N 3.32Å
442	G	55.2	Low	72.2	Confident	42 Å²	42	69.9 Å²	69.9	43%	0.433	36%	0.361	S	S	.	.	S	Bend	trans	-87.1	-166.1	-174.1	0	0	0	0	0	116.1	S440 M444	S440-G442 VanDerWaalsContact C-N 3.28Å; S440-G442 PolarHBondContact OG-N 3.46Å; G442-M444 VanDerWaalsContact C-N 3.29Å; G442-M444 PolarHBondContact O-N 2.81Å
443	K	55.7	Low	72.4	Confident	229 Å²	229	66.1 Å²	66.1	100%	0.996	34%	0.342	S	S	*	.			trans	-61.2	82.2	177.2	-74	-176.5	177.9	179.6	0	111.3
444	M	63.2	Low	72.7	Confident	32 Å²	32	59.1 Å²	59.1	16%	0.158	31%	0.313	C	S	.	.			trans	-79.3	138.3	178.8	-74.1	179.1	-78.7	0	0	112.4	S440 G442 K446 L449 K662 L666	S440-M444 WeakPolarHBondContact O-CE 3.42Å; S440-M444 VanDerWaalsContact O-SD 3.36Å; G442-M444 VanDerWaalsContact C-N 3.29Å; G442-M444 PolarHBondContact O-N 2.81Å; M444-K446 PolarHBondContact O-N 2.72Å; M444-L449 HydrophobicContact SD-CD1 4.5Å; M444-K662 PolarHBondContact O-NZ 3.06Å; M444-L666 HydrophobicContact CE-CD2 3.86Å; M444-L666 HydrophobicContact SD-CD1 4.36Å; M444-L666 HydrophobicContact SD-CD2 4.32Å
445	D	71	Confident	73.4	Confident	109 Å²	109	59.1 Å²	59.1	58%	0.583	31%	0.311	S	S	*	.			trans	-74.7	116.7	173.3	-101.2	-28.6	0	0	0	111.1	M447 R448 L449	D445-M447 PolarHBondContact O-N 2.99Å; D445-M447 VanDerWaalsContact O-N 3.12Å; D445-R448 HydrophobicContact CB-CB 4.34Å; D445-R448 HydrophobicContact CB-CG 4.2Å; D445-R448 PolarHBondContact O-N 3.08Å; D445-R448 VanDerWaalsContact O-N 3.07Å; D445-L449 PolarHBondContact O-N 3.35Å
446	K	75	Confident	74.1	Confident	55 Å²	55	58 Å²	58	24%	0.239	31%	0.306	C	S	.	.	H	α-helix	trans	-51.3	-39	176.2	-159.1	178.1	179.4	171.2	0	111.4	M444 L449 L450 L660 K662 M665	M444-K446 PolarHBondContact O-N 2.72Å; K446-L449 PolarHBondContact O-N 2.63Å; K446-L450 HydrophobicContact CG-CD1 4.3Å; K446-L450 VanDerWaalsContact O-CG 3.32Å; K446-L450 WeakPolarHBondContact O-CG 3.25Å; K446-L450 PolarHBondContact O-N 3.12Å; K446-L450 VanDerWaalsContact O-N 3.08Å; K446-L660 WeakPolarHBondContact CE-O 3.25Å; K446-L660 PolarHBondContact NZ-O 3.2Å; K446-K662 HydrophobicContact CB-CG 4.35Å; K446-K662 HydrophobicContact CG-CG 4.11Å; K446-M665 HydrophobicContact CD-CE 4.46Å; K446-M665 HydrophobicContact CG-CE 3.65Å
447	M	74.5	Confident	75.1	Confident	95 Å²	95	54.8 Å²	54.8	47%	0.468	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-38.9	-177.2	-163.9	66.8	170	0	0	112.4	D445 N451 L767	D445-M447 PolarHBondContact O-N 2.99Å; D445-M447 VanDerWaalsContact O-N 3.12Å; M447-N451 PolarHBondContact O-N 3.05Å; M447-N451 VanDerWaalsContact O-N 3.09Å; M447-L767 HydrophobicContact CE-CD1 4.3Å; M447-L767 HydrophobicContact SD-CD1 3.7Å
448	R	78.2	Confident	76.1	Confident	153 Å²	153	56 Å²	56	58%	0.577	29%	0.291	S	S	*	.	H	α-helix	trans	-67.9	-45.8	177.6	-75.8	-167.4	-178.9	-164.9	2.2	111.6	D445 L450 N451 I452	D445-R448 HydrophobicContact CB-CB 4.34Å; D445-R448 HydrophobicContact CB-CG 4.2Å; D445-R448 PolarHBondContact O-N 3.08Å; D445-R448 VanDerWaalsContact O-N 3.07Å; R448-L450 VanDerWaalsContact C-N 3.3Å; R448-L450 PolarHBondContact O-N 3.22Å; R448-N451 WeakPolarHBondContact O-CB 3.43Å; R448-N451 PolarHBondContact O-N 3.37Å; R448-N451 VanDerWaalsContact O-N 3.1Å; R448-I452 WeakPolarHBondContact O-CG1 3.32Å; R448-I452 PolarHBondContact O-N 3.47Å
449	L	80.8	Confident	77.4	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.1	-42.4	176.8	-68.9	174.6	0	0	0	111.8	V437 M444 D445 K446 N451 I452 L453 K662 M665 L666 I669	V437-L449 HydrophobicContact CG1-CD2 3.99Å; M444-L449 HydrophobicContact SD-CD1 4.5Å; D445-L449 PolarHBondContact O-N 3.35Å; K446-L449 PolarHBondContact O-N 2.63Å; L449-N451 VanDerWaalsContact C-N 3.32Å; L449-N451 PolarHBondContact O-N 3.08Å; L449-I452 PolarHBondContact O-N 2.82Å; L449-L453 VanDerWaalsContact O-CB 3.26Å; L449-L453 WeakPolarHBondContact O-CB 3.29Å; L449-L453 PolarHBondContact O-N 3.44Å; L449-K662 HydrophobicContact CD1-CB 4.49Å; L449-M665 HydrophobicContact CB-CB 4.37Å; L449-M665 HydrophobicContact CB-CE 4.38Å; L449-M665 HydrophobicContact CB-SD 4.34Å; L449-M665 HydrophobicContact CD1-CB 4.38Å; L449-M665 HydrophobicContact CD1-CE 4.43Å; L449-L666 HydrophobicContact CD2-CD1 4.18Å; L449-I669 HydrophobicContact CD2-CD1 4.09Å
450	L	78.9	Confident	78.6	Confident	26 Å²	26	54.7 Å²	54.7	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-61.4	-39.5	175.3	-73.6	170.2	0	0	0	112.3	K446 R448 M454 M665 F763	K446-L450 HydrophobicContact CG-CD1 4.3Å; K446-L450 VanDerWaalsContact O-CG 3.32Å; K446-L450 WeakPolarHBondContact O-CG 3.25Å; K446-L450 PolarHBondContact O-N 3.12Å; K446-L450 VanDerWaalsContact O-N 3.08Å; R448-L450 VanDerWaalsContact C-N 3.3Å; R448-L450 PolarHBondContact O-N 3.22Å; L450-M454 WeakPolarHBondContact O-CB 3.44Å; L450-M454 PolarHBondContact O-N 3.34Å; L450-M665 HydrophobicContact CD2-SD 3.46Å; L450-M665 WeakPolarHBondContact CD2-SD 2.97Å; L450-M665 HydrophobicContact CG-SD 3.78Å; L450-F763 HydrophobicContact CD1-CD1 4.15Å; L450-F763 HydrophobicContact CD1-CE1 4.47Å; L450-F763 HydrophobicContact CD2-CE1 4.11Å
451	N	81.8	Confident	80.1	Confident	91 Å²	91	52 Å²	52	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-66.8	-47.5	176.1	-174.4	23	0	0	0	111.7	M447 R448 L449 L453 M454 Q455	M447-N451 PolarHBondContact O-N 3.05Å; M447-N451 VanDerWaalsContact O-N 3.09Å; R448-N451 WeakPolarHBondContact O-CB 3.43Å; R448-N451 PolarHBondContact O-N 3.37Å; R448-N451 VanDerWaalsContact O-N 3.1Å; L449-N451 VanDerWaalsContact C-N 3.32Å; L449-N451 PolarHBondContact O-N 3.08Å; N451-L453 VanDerWaalsContact C-N 3.28Å; N451-L453 PolarHBondContact O-N 2.69Å; N451-M454 WeakPolarHBondContact O-CB 3.38Å; N451-M454 PolarHBondContact O-N 2.83Å; N451-M454 VanDerWaalsContact O-N 3.13Å; N451-Q455 WeakPolarHBondContact O-CG 3.42Å; N451-Q455 PolarHBondContact O-N 2.89Å; N451-Q455 PolarHBondContact OD1-NE2 2.84Å
452	I	85.8	Confident	82	Confident	2 Å²	2	46 Å²	46	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-53.9	-51.4	176.4	-66.6	165.9	0	0	0	109.5	I430 D434 V437 R448 L449 M454 Q455 L456 I669	I430-I452 HydrophobicContact CG2-CG2 4.5Å; D434-I452 HydrophobicContact CB-CD1 3.57Å; D434-I452 HydrophobicContact CB-CG1 3.96Å; V437-I452 HydrophobicContact CB-CD1 4.36Å; V437-I452 HydrophobicContact CG1-CD1 4.16Å; R448-I452 WeakPolarHBondContact O-CG1 3.32Å; R448-I452 PolarHBondContact O-N 3.47Å; L449-I452 PolarHBondContact O-N 2.82Å; I452-M454 VanDerWaalsContact C-N 3.27Å; I452-M454 PolarHBondContact O-N 2.81Å; I452-Q455 PolarHBondContact O-N 2.96Å; I452-L456 HydrophobicContact CG2-CD1 4.01Å; I452-L456 HydrophobicContact CG2-CG 4.31Å; I452-L456 WeakPolarHBondContact O-CG 3.49Å; I452-L456 PolarHBondContact O-N 3.2Å; I452-I669 HydrophobicContact CB-CD1 4.33Å; I452-I669 HydrophobicContact CG2-CD1 3.99Å; I452-I669 HydrophobicContact CG2-CG2 4.34Å
453	L	86.5	Confident	83.9	Confident	3 Å²	3	44 Å²	44	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-35.9	-177.1	-160.6	153.2	0	0	0	111.5	L449 N451 L456 R457 W596 V628 I632 M665 M668 I669	L449-L453 VanDerWaalsContact O-CB 3.26Å; L449-L453 WeakPolarHBondContact O-CB 3.29Å; L449-L453 PolarHBondContact O-N 3.44Å; N451-L453 VanDerWaalsContact C-N 3.28Å; N451-L453 PolarHBondContact O-N 2.69Å; L453-L456 PolarHBondContact O-N 3.16Å; L453-R457 HydrophobicContact CD2-CG 4.3Å; L453-R457 WeakPolarHBondContact O-CG 3.3Å; L453-R457 PolarHBondContact O-N 3.09Å; L453-W596 HydrophobicContact CD1-CH2 3.9Å; L453-W596 HydrophobicContact CD1-CZ2 4.44Å; L453-W596 HydrophobicContact CD2-CH2 3.35Å; L453-W596 HydrophobicContact CD2-CZ2 3.12Å; L453-W596 HydrophobicContact CG-CH2 4.28Å; L453-W596 HydrophobicContact CG-CZ2 4.4Å; L453-V628 HydrophobicContact CG-CG1 4.39Å; L453-I632 HydrophobicContact CD2-CD1 4.34Å; L453-M665 HydrophobicContact CD1-CG 4.46Å; L453-M668 HydrophobicContact CD1-CB 4.45Å; L453-M668 HydrophobicContact CD1-CE 4.2Å; L453-I669 HydrophobicContact CB-CD1 4.36Å; L453-I669 HydrophobicContact CB-CG1 4.46Å; L453-I669 HydrophobicContact CD1-CD1 4.49Å; L453-I669 HydrophobicContact CD1-CG1 4.16Å; L453-I669 HydrophobicContact CG-CG1 4.46Å
454	M	88.4	Confident	85.6	Confident	30 Å²	30	33.9 Å²	33.9	15%	0.148	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-42.9	170.7	179	57	68.2	0	0	112.6	L450 N451 I452 R457 K458 M511 F763	L450-M454 WeakPolarHBondContact O-CB 3.44Å; L450-M454 PolarHBondContact O-N 3.34Å; N451-M454 WeakPolarHBondContact O-CB 3.38Å; N451-M454 PolarHBondContact O-N 2.83Å; N451-M454 VanDerWaalsContact O-N 3.13Å; I452-M454 VanDerWaalsContact C-N 3.27Å; I452-M454 PolarHBondContact O-N 2.81Å; M454-R457 PolarHBondContact O-N 3.19Å; M454-K458 WeakPolarHBondContact O-CG 3.46Å; M454-K458 PolarHBondContact O-N 3.45Å; M454-M511 HydrophobicContact SD-CE 3.82Å; M454-F763 HydrophobicContact CE-CE2 3.76Å; M454-F763 HydrophobicContact CE-CZ 3.72Å
455	Q	90.2	Very high	87	Confident	43 Å²	43	32.6 Å²	32.6	20%	0.201	15%	0.152	C	C	.	.	H	α-helix	trans	-65.8	-42.1	176.3	-55.6	-54.1	-26.3	0	0	111.3	I430 N451 I452 R457 K458 C459 F466	I430-Q455 HydrophobicContact CD1-CB 3.98Å; I430-Q455 HydrophobicContact CG1-CB 4.26Å; I430-Q455 HydrophobicContact CG2-CB 3.92Å; N451-Q455 WeakPolarHBondContact O-CG 3.42Å; N451-Q455 PolarHBondContact O-N 2.89Å; N451-Q455 PolarHBondContact OD1-NE2 2.84Å; I452-Q455 PolarHBondContact O-N 2.96Å; Q455-R457 VanDerWaalsContact C-N 3.29Å; Q455-R457 PolarHBondContact O-N 3.4Å; Q455-K458 WeakPolarHBondContact O-CB 3.03Å; Q455-K458 PolarHBondContact O-N 2.93Å; Q455-K458 VanDerWaalsContact O-N 3.13Å; Q455-C459 PolarHBondContact O-N 2.89Å; Q455-F466 HydrophobicContact CB-CE1 4.2Å; Q455-F466 HydrophobicContact CB-CZ 4.38Å; Q455-F466 WeakPolarHBondContact O-CZ 3.48Å; Q455-F466 VanDerWaalsContact OE1-CE1 3.25Å
456	L	91.9	Very high	88	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.3	-40.5	176.4	-63.8	177.1	0	0	0	111.6	Y427 I430 L431 I452 L453 C459 C460 V628 I669	Y427-L456 HydrophobicContact CD1-CD2 3.89Å; Y427-L456 HydrophobicContact CD2-CD2 3.88Å; Y427-L456 HydrophobicContact CE1-CD2 3.77Å; Y427-L456 HydrophobicContact CE2-CB 3.87Å; Y427-L456 HydrophobicContact CE2-CD2 3.73Å; Y427-L456 HydrophobicContact CE2-CG 4.27Å; Y427-L456 HydrophobicContact CG-CD2 3.96Å; I430-L456 HydrophobicContact CB-CD2 3.96Å; I430-L456 HydrophobicContact CD1-CD2 4.41Å; I430-L456 HydrophobicContact CG2-CD2 3.58Å; I430-L456 HydrophobicContact CG2-CG 4.08Å; L431-L456 HydrophobicContact CD2-CD1 4.03Å; L431-L456 HydrophobicContact CD2-CD2 4.09Å; L431-L456 HydrophobicContact CG-CD2 4.19Å; I452-L456 HydrophobicContact CG2-CD1 4.01Å; I452-L456 HydrophobicContact CG2-CG 4.31Å; I452-L456 WeakPolarHBondContact O-CG 3.49Å; I452-L456 PolarHBondContact O-N 3.2Å; L453-L456 PolarHBondContact O-N 3.16Å; L456-C459 WeakPolarHBondContact O-CB 3.48Å; L456-C459 PolarHBondContact O-N 2.65Å; L456-C460 PolarHBondContact O-N 3.12Å; L456-C460 PolarHBondContact O-SG 3.15Å; L456-V628 HydrophobicContact CB-CG1 4.36Å; L456-V628 HydrophobicContact CB-CG2 3.8Å; L456-V628 HydrophobicContact CD1-CG1 3.72Å; L456-I669 HydrophobicContact CD1-CB 4.49Å; L456-I669 HydrophobicContact CD1-CG1 4.18Å; L456-I669 HydrophobicContact CD1-CG2 3.83Å
457	R	92.9	Very high	88.3	Confident	9 Å²	9	31.5 Å²	31.5	3%	0.034	15%	0.148	C	C	.	.	H	α-helix	trans	-62.5	-43.7	172.6	-74.6	-175	64.1	161.6	1	113	L453 M454 Q455 C459 C460 N461 M511 S594 V628 I632	L453-R457 HydrophobicContact CD2-CG 4.3Å; L453-R457 WeakPolarHBondContact O-CG 3.3Å; L453-R457 PolarHBondContact O-N 3.09Å; M454-R457 PolarHBondContact O-N 3.19Å; Q455-R457 VanDerWaalsContact C-N 3.29Å; Q455-R457 PolarHBondContact O-N 3.4Å; R457-C459 VanDerWaalsContact C-N 3.26Å; R457-C459 PolarHBondContact O-N 2.65Å; R457-C460 PolarHBondContact O-N 3.07Å; R457-N461 PolarHBondContact O-N 3.37Å; R457-M511 HydrophobicContact CB-CE 3.99Å; R457-S594 PolarHBondContact NH1-O 3.49Å; R457-S594 PolarHBondContact NH2-O 3.46Å; R457-V628 HydrophobicContact CG-CG2 4.24Å; R457-I632 HydrophobicContact CG-CD1 4.17Å
458	K	93.7	Very high	88.7	Confident	47 Å²	47	30.1 Å²	30.1	20%	0.204	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-43	174.4	-72	175.7	-173.2	173.5	0	111	M454 Q455 N461 H462 L465 F466 M511	M454-K458 WeakPolarHBondContact O-CG 3.46Å; M454-K458 PolarHBondContact O-N 3.45Å; Q455-K458 WeakPolarHBondContact O-CB 3.03Å; Q455-K458 PolarHBondContact O-N 2.93Å; Q455-K458 VanDerWaalsContact O-N 3.13Å; K458-N461 PolarHBondContact O-N 2.88Å; K458-H462 CarbonylContact O-C 3.56Å; K458-H462 PolarHBondContact O-N 3.43Å; K458-H462 VanDerWaalsContact O-O 3.07Å; K458-L465 HydrophobicContact CB-CB 4.06Å; K458-L465 HydrophobicContact CB-CD1 4.05Å; K458-L465 HydrophobicContact CG-CB 4.35Å; K458-L465 HydrophobicContact CG-CD1 4.26Å; K458-F466 HydrophobicContact CB-CE1 4.43Å; K458-F466 HydrophobicContact CB-CE2 4.24Å; K458-F466 HydrophobicContact CB-CZ 3.85Å; K458-F466 HydrophobicContact CD-CE1 4.46Å; K458-M511 HydrophobicContact CG-CE 3.81Å; K458-M511 HydrophobicContact CG-SD 3.79Å
459	C	93.8	Very high	89.1	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-45.5	177.3	-171.9	0	0	0	0	112.6	Q423 Y427 I430 Q455 L456 R457 N461 F466	Q423-C459 WeakPolarHBondContact CG-O 3.4Å; Q423-C459 PolarHBondContact NE2-O 2.89Å; Q423-C459 PolarHBondContact O-SG 3.45Å; Y427-C459 HydrophobicContact CD2-CB 4.24Å; Y427-C459 PolarHBondContact N-SG 3.11Å; Y427-C459 VanDerWaalsContact N-SG 3.39Å; I430-C459 HydrophobicContact CD1-CB 4.01Å; Q455-C459 PolarHBondContact O-N 2.89Å; L456-C459 WeakPolarHBondContact O-CB 3.48Å; L456-C459 PolarHBondContact O-N 2.65Å; R457-C459 VanDerWaalsContact C-N 3.26Å; R457-C459 PolarHBondContact O-N 2.65Å; C459-N461 VanDerWaalsContact C-N 3.26Å; C459-N461 PolarHBondContact O-N 2.96Å; C459-F466 HydrophobicContact CB-CE2 3.81Å; C459-F466 HydrophobicContact CB-CZ 4.07Å
460	C	94.6	Very high	89.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.6	-33.7	175.5	-63.6	0	0	0	0	112.7	Q423 L456 R457 K487 T624 E629	Q423-C460 PolarHBondContact NE2-O 3.33Å; L456-C460 PolarHBondContact O-N 3.12Å; L456-C460 PolarHBondContact O-SG 3.15Å; R457-C460 PolarHBondContact O-N 3.07Å; C460-K487 WeakPolarHBondContact O-CD 3.35Å; C460-K487 WeakPolarHBondContact O-CE 3.48Å; C460-T624 WeakPolarHBondContact CB-OG1 3.16Å; C460-E629 HydrophobicContact CB-CG 3.94Å
461	N	94.9	Very high	89.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72.1	-65.1	175.4	-80.1	-12.4	0	0	0	112.3	R457 K458 C459 L465 S485 K487 M511 L514 Y592 D593	R457-N461 PolarHBondContact O-N 3.37Å; K458-N461 PolarHBondContact O-N 2.88Å; C459-N461 VanDerWaalsContact C-N 3.26Å; C459-N461 PolarHBondContact O-N 2.96Å; N461-L465 HydrophobicContact CB-CD1 3.77Å; N461-S485 PolarHBondContact O-OG 2.93Å; N461-K487 PolarHBondContact OD1-NZ 3.46Å; N461-M511 PolarHBondContact ND2-SD 2.84Å; N461-M511 VanDerWaalsContact ND2-SD 3.45Å; N461-L514 HydrophobicContact CB-CD1 4.26Å; N461-L514 HydrophobicContact CB-CD2 3.92Å; N461-Y592 HydrophobicContact CB-CE1 4.23Å; N461-Y592 PolarHBondContact O-OH 3.47Å; N461-D593 PolarHBondContact ND2-OD2 3.3Å; N461-D593 WeakPolarHBondContact OD1-CB 3.46Å
462	H	95.5	Very high	89.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.158	C	C	.	.			trans	-163.8	134	179.1	-158.6	-83.8	0	0	0	111.5	K458 Y464 L465 I481 S485 L514 I517	K458-H462 CarbonylContact O-C 3.56Å; K458-H462 PolarHBondContact O-N 3.43Å; K458-H462 VanDerWaalsContact O-O 3.07Å; H462-Y464 AromaticContact CE1-CD1 3.61Å; H462-Y464 AromaticContact CE1-CD2 3.36Å; H462-Y464 WeakPolarHBondContact CE1-CD2 3.43Å; H462-Y464 AromaticContact CE1-CE1 3.94Å; H462-Y464 AromaticContact CE1-CE2 3.75Å; H462-Y464 AromaticContact CE1-CG 3.29Å; H462-Y464 VanDerWaalsContact ND1-CB 3.32Å; H462-Y464 WeakPolarHBondContact ND1-CB 3.33Å; H462-Y464 AromaticContact ND1-CD1 3.82Å; H462-Y464 AromaticContact ND1-CD2 3.79Å; H462-Y464 AromaticContact ND1-CG 3.35Å; H462-Y464 VanDerWaalsContact ND1-CG 3.35Å; H462-Y464 PolarHBondContact ND1-N 3.11Å; H462-Y464 PolarHBondContact O-N 3.38Å; H462-L465 HydrophobicContact CB-CG 4.39Å; H462-L465 WeakPolarHBondContact O-CB 3.21Å; H462-L465 WeakPolarHBondContact O-CG 3.42Å; H462-L465 PolarHBondContact O-N 3.16Å; H462-L465 VanDerWaalsContact O-N 3.13Å; H462-I481 PolarHBondContact NE2-O 2.73Å; H462-S485 WeakPolarHBondContact CD2-CB 3.36Å; H462-L514 HydrophobicContact CB-CD1 4.07Å; H462-I517 HydrophobicContact CB-CD1 3.85Å
463	P	93.9	Very high	88.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57.6	-30.7	176.2	-26.6	35.8	0	0	0	114.3	M422 Q423 L465 F466 A469 N484	M422-P463 HydrophobicContact CB-CG 4.25Å; M422-P463 HydrophobicContact CE-CB 3.64Å; M422-P463 HydrophobicContact CG-CB 3.92Å; M422-P463 HydrophobicContact CG-CG 3.94Å; M422-P463 HydrophobicContact SD-CB 3.68Å; M422-P463 HydrophobicContact SD-CG 3.97Å; Q423-P463 HydrophobicContact CB-CG 4.43Å; Q423-P463 HydrophobicContact CG-CG 3.54Å; P463-L465 PolarHBondContact O-N 3.01Å; P463-F466 WeakPolarHBondContact O-CB 3.28Å; P463-F466 VanDerWaalsContact O-CD2 3.25Å; P463-F466 WeakPolarHBondContact O-CD2 3.23Å; P463-F466 PolarHBondContact O-N 3.38Å; P463-A469 HydrophobicContact CB-CB 4.44Å; P463-A469 WeakPolarHBondContact O-CB 3.49Å; P463-N484 WeakPolarHBondContact CD-O 3.35Å; P463-N484 WeakPolarHBondContact CG-O 3.36Å
464	Y	92.8	Very high	88	Confident	16 Å²	16	35.2 Å²	35.2	6%	0.063	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-69.6	-3.5	-179.7	-56.9	-4.5	0	0	0	114	M422 H462 F466 A469 E470 P471 H480 I481 N484	M422-Y464 HydrophobicContact CE-CD1 4.33Å; M422-Y464 HydrophobicContact CE-CE1 4.11Å; M422-Y464 HydrophobicContact SD-CE1 4.11Å; H462-Y464 AromaticContact CE1-CD1 3.61Å; H462-Y464 AromaticContact CE1-CD2 3.36Å; H462-Y464 WeakPolarHBondContact CE1-CD2 3.43Å; H462-Y464 AromaticContact CE1-CE1 3.94Å; H462-Y464 AromaticContact CE1-CE2 3.75Å; H462-Y464 AromaticContact CE1-CG 3.29Å; H462-Y464 VanDerWaalsContact ND1-CB 3.32Å; H462-Y464 WeakPolarHBondContact ND1-CB 3.33Å; H462-Y464 AromaticContact ND1-CD1 3.82Å; H462-Y464 AromaticContact ND1-CD2 3.79Å; H462-Y464 AromaticContact ND1-CG 3.35Å; H462-Y464 VanDerWaalsContact ND1-CG 3.35Å; H462-Y464 PolarHBondContact ND1-N 3.11Å; H462-Y464 PolarHBondContact O-N 3.38Å; Y464-F466 PolarHBondContact O-N 3.31Å; Y464-A469 HydrophobicContact CD1-CB 4.38Å; Y464-E470 HydrophobicContact CD1-CB 3.98Å; Y464-E470 HydrophobicContact CD1-CG 4.44Å; Y464-E470 HydrophobicContact CD2-CB 4.11Å; Y464-E470 HydrophobicContact CD2-CG 3.81Å; Y464-E470 HydrophobicContact CE1-CB 4.25Å; Y464-E470 HydrophobicContact CE1-CG 4.44Å; Y464-E470 HydrophobicContact CE2-CB 4.34Å; Y464-E470 HydrophobicContact CE2-CG 3.76Å; Y464-E470 HydrophobicContact CG-CB 3.93Å; Y464-E470 HydrophobicContact CG-CG 4.17Å; Y464-P471 VanDerWaalsContact CZ-CD 3.49Å; Y464-P471 WeakPolarHBondContact OH-CD 3.37Å; Y464-H480 AromaticContact CE2-CE1 3.8Å; Y464-H480 AromaticContact CE2-ND1 3.5Å; Y464-H480 WeakPolarHBondContact CE2-ND1 3.47Å; Y464-H480 AromaticContact CZ-ND1 3.58Å; Y464-H480 VanDerWaalsContact OH-CG 3.29Å; Y464-H480 PolarHBondContact OH-ND1 3.48Å; Y464-H480 PolarHBondContact OH-O 3Å; Y464-I481 HydrophobicContact CE2-CG1 4.21Å; Y464-N484 HydrophobicContact CE1-CB 4.35Å; Y464-N484 PolarHBondContact OH-ND2 3.25Å
465	L	92.4	Very high	87.5	Confident	6 Å²	6	38.1 Å²	38.1	3%	0.031	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-70	-12.9	164.9	-65.2	174.8	0	0	0	112.5	K458 N461 H462 P463 M511 R513 L514 I517	K458-L465 HydrophobicContact CB-CB 4.06Å; K458-L465 HydrophobicContact CB-CD1 4.05Å; K458-L465 HydrophobicContact CG-CB 4.35Å; K458-L465 HydrophobicContact CG-CD1 4.26Å; N461-L465 HydrophobicContact CB-CD1 3.77Å; H462-L465 HydrophobicContact CB-CG 4.39Å; H462-L465 WeakPolarHBondContact O-CB 3.21Å; H462-L465 WeakPolarHBondContact O-CG 3.42Å; H462-L465 PolarHBondContact O-N 3.16Å; H462-L465 VanDerWaalsContact O-N 3.13Å; P463-L465 PolarHBondContact O-N 3.01Å; L465-M511 HydrophobicContact CD1-SD 3.75Å; L465-R513 HydrophobicContact CD2-CB 3.53Å; L465-L514 HydrophobicContact CD2-CB 4.44Å; L465-I517 HydrophobicContact CD2-CD1 3.82Å; L465-I517 HydrophobicContact CG-CD1 3.99Å
466	F	90.6	Very high	87.1	Confident	19 Å²	19	38.9 Å²	38.9	8%	0.083	24%	0.241	C	C	.	.	S	Bend	trans	-97.4	136.1	169.8	-57.2	-76.8	0	0	0	110.9	W426 I430 Q455 K458 C459 P463 Y464 G468 A469	W426-F466 HydrophobicContact CD2-CB 4.44Å; W426-F466 AromaticContact CD2-CD2 3.98Å; W426-F466 HydrophobicContact CD2-CD2 3.98Å; W426-F466 HydrophobicContact CD2-CG 4.29Å; W426-F466 HydrophobicContact CE3-CB 3.93Å; W426-F466 HydrophobicContact CE3-CD1 4.11Å; W426-F466 AromaticContact CE3-CD2 3.68Å; W426-F466 HydrophobicContact CE3-CD2 3.68Å; W426-F466 HydrophobicContact CE3-CE2 4.22Å; W426-F466 AromaticContact CE3-CG 3.64Å; W426-F466 HydrophobicContact CE3-CG 3.64Å; W426-F466 HydrophobicContact CG-CD2 4.42Å; W426-F466 HydrophobicContact CH2-CB 3.62Å; W426-F466 HydrophobicContact CH2-CG 4.25Å; W426-F466 HydrophobicContact CZ2-CB 4.17Å; W426-F466 HydrophobicContact CZ3-CB 3.49Å; W426-F466 VanDerWaalsContact CZ3-CB 3.49Å; W426-F466 AromaticContact CZ3-CD1 3.98Å; W426-F466 HydrophobicContact CZ3-CD1 3.98Å; W426-F466 HydrophobicContact CZ3-CD2 4.14Å; W426-F466 AromaticContact CZ3-CG 3.61Å; W426-F466 HydrophobicContact CZ3-CG 3.61Å; I430-F466 HydrophobicContact CD1-CE1 4.05Å; I430-F466 HydrophobicContact CD1-CE2 4.21Å; I430-F466 HydrophobicContact CD1-CZ 3.5Å; Q455-F466 HydrophobicContact CB-CE1 4.2Å; Q455-F466 HydrophobicContact CB-CZ 4.38Å; Q455-F466 WeakPolarHBondContact O-CZ 3.48Å; Q455-F466 VanDerWaalsContact OE1-CE1 3.25Å; K458-F466 HydrophobicContact CB-CE1 4.43Å; K458-F466 HydrophobicContact CB-CE2 4.24Å; K458-F466 HydrophobicContact CB-CZ 3.85Å; K458-F466 HydrophobicContact CD-CE1 4.46Å; C459-F466 HydrophobicContact CB-CE2 3.81Å; C459-F466 HydrophobicContact CB-CZ 4.07Å; P463-F466 WeakPolarHBondContact O-CB 3.28Å; P463-F466 VanDerWaalsContact O-CD2 3.25Å; P463-F466 WeakPolarHBondContact O-CD2 3.23Å; P463-F466 PolarHBondContact O-N 3.38Å; Y464-F466 PolarHBondContact O-N 3.31Å; F466-G468 PolarHBondContact O-N 3.33Å; F466-A469 HydrophobicContact CB-CB 4.16Å; F466-A469 VanDerWaalsContact O-CB 3.27Å; F466-A469 WeakPolarHBondContact O-CB 3.42Å; F466-A469 PolarHBondContact O-N 2.82Å
467	D	82.4	Confident	86.7	Confident	122 Å²	122	42.1 Å²	42.1	65%	0.652	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	134.2	-179.7	-53.8	-26.9	0	0	0	109.8	A469 R513	D467-A469 VanDerWaalsContact C-N 3.29Å; D467-A469 PolarHBondContact O-N 3.08Å; D467-R513 IonicContact OD1-CZ 2.75Å; D467-R513 IonicContact OD1-NH1 3.03Å; D467-R513 IonicContact OD1-NH2 3.63Å; D467-R513 PolarHBondContact OD1-NH2 2.98Å; D467-R513 VanDerWaalsContact OD1-NH2 3.08Å
468	G	82.6	Confident	86.4	Confident	66 Å²	66	44.4 Å²	44.4	68%	0.68	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	1.8	-176.5	0	0	0	0	0	115.3	F466	F466-G468 PolarHBondContact O-N 3.33Å
469	A	86.4	Confident	86.3	Confident	11 Å²	11	46.6 Å²	46.6	9%	0.091	28%	0.284	C	S	.	.			trans	-75.2	-39.3	173.2	0	0	0	0	0	111.9	M422 W426 P463 Y464 F466 D467	M422-A469 HydrophobicContact CE-CB 3.57Å; M422-A469 WeakPolarHBondContact CE-O 3.3Å; W426-A469 HydrophobicContact CH2-CB 4.37Å; W426-A469 HydrophobicContact CZ2-CB 3.56Å; P463-A469 HydrophobicContact CB-CB 4.44Å; P463-A469 WeakPolarHBondContact O-CB 3.49Å; Y464-A469 HydrophobicContact CD1-CB 4.38Å; F466-A469 HydrophobicContact CB-CB 4.16Å; F466-A469 VanDerWaalsContact O-CB 3.27Å; F466-A469 WeakPolarHBondContact O-CB 3.42Å; F466-A469 PolarHBondContact O-N 2.82Å; D467-A469 VanDerWaalsContact C-N 3.29Å; D467-A469 PolarHBondContact O-N 3.08Å
470	E	86.4	Confident	86.2	Confident	48 Å²	48	47.6 Å²	47.6	22%	0.224	29%	0.289	C	S	.	.	S	Bend	trans	-63.6	128.5	-179	-170.9	-180	175.7	0	0	111.5	Y464 G472 Y475	Y464-E470 HydrophobicContact CD1-CB 3.98Å; Y464-E470 HydrophobicContact CD1-CG 4.44Å; Y464-E470 HydrophobicContact CD2-CB 4.11Å; Y464-E470 HydrophobicContact CD2-CG 3.81Å; Y464-E470 HydrophobicContact CE1-CB 4.25Å; Y464-E470 HydrophobicContact CE1-CG 4.44Å; Y464-E470 HydrophobicContact CE2-CB 4.34Å; Y464-E470 HydrophobicContact CE2-CG 3.76Å; Y464-E470 HydrophobicContact CG-CB 3.93Å; Y464-E470 HydrophobicContact CG-CG 4.17Å; E470-G472 PolarHBondContact O-N 3.19Å; E470-Y475 HydrophobicContact CB-CD1 4.33Å; E470-Y475 HydrophobicContact CB-CE1 4.35Å; E470-Y475 VanDerWaalsContact CD-CD1 3.47Å; E470-Y475 HydrophobicContact CG-CD1 3.86Å; E470-Y475 HydrophobicContact CG-CE1 4.37Å
471	P	81.5	Confident	86.1	Confident	61 Å²	61	47.9 Å²	47.9	40%	0.396	29%	0.29	S	S	.	.			trans	-56.6	128.7	173.5	-22.6	32.8	0	0	0	110.9	Y464	Y464-P471 VanDerWaalsContact CZ-CD 3.49Å; Y464-P471 WeakPolarHBondContact OH-CD 3.37Å
472	G	77.5	Confident	86	Confident	47 Å²	47	48 Å²	48	49%	0.485	29%	0.291	S	S	.	.			trans	141.3	-171	177.7	0	0	0	0	0	112.4	E470	E470-G472 PolarHBondContact O-N 3.19Å
473	P	68.7	Low	85.8	Confident	108 Å²	108	50.8 Å²	50.8	70%	0.701	31%	0.311	S	S	*	.	S	Bend	cis	-63	157	-6.3	-18.3	31.1	0	0	0	113.6	Y475	P473-Y475 HydrophobicContact CG-CE2 4.3Å
474	P	76.1	Confident	85.8	Confident	106 Å²	106	52.3 Å²	52.3	69%	0.688	32%	0.319	S	S	*	.	S	Bend	cis	-73.4	141.4	-3.7	31.4	-33.9	0	0	0	111.6	T476	P474-T476 PolarHBondContact O-N 3.04Å
475	Y	79.1	Confident	85.8	Confident	92 Å²	92	51.6 Å²	51.6	36%	0.361	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-76.1	119.3	172.6	-58	-69.9	0	0	0	108.3	E470 P473	E470-Y475 HydrophobicContact CB-CD1 4.33Å; E470-Y475 HydrophobicContact CB-CE1 4.35Å; E470-Y475 VanDerWaalsContact CD-CD1 3.47Å; E470-Y475 HydrophobicContact CG-CD1 3.86Å; E470-Y475 HydrophobicContact CG-CE1 4.37Å; P473-Y475 HydrophobicContact CG-CE2 4.3Å
476	T	81.5	Confident	85.9	Confident	59 Å²	59	51.3 Å²	51.3	36%	0.362	32%	0.315	S	S	.	.			trans	-111.5	155.3	-179.6	50.5	0	0	0	0	111	P474 D478 H480	P474-T476 PolarHBondContact O-N 3.04Å; T476-D478 WeakPolarHBondContact CB-OD2 3.33Å; T476-D478 PolarHBondContact OG1-OD2 3.08Å; T476-H480 PolarHBondContact O-CE1 2.86Å; T476-H480 PolarHBondContact O-NE2 2.92Å; T476-H480 PolarHBondContact OG1-NE2 3.39Å
477	T	83.8	Confident	86.1	Confident	67 Å²	67	50.5 Å²	50.5	41%	0.411	31%	0.311	S	S	.	.			trans	-107.8	87.4	175	-37.2	0	0	0	0	107.6	I481 D520 W524	T477-I481 HydrophobicContact CG2-CD1 3.44Å; T477-I481 VanDerWaalsContact CG2-CD1 3.44Å; T477-D520 HydrophobicContact CG2-CB 3.97Å; T477-D520 WeakPolarHBondContact CG2-O 3.48Å; T477-W524 HydrophobicContact CG2-CB 3.66Å; T477-W524 HydrophobicContact CG2-CG 4.42Å
478	D	86.3	Confident	86.7	Confident	57 Å²	57	44.7 Å²	44.7	31%	0.305	28%	0.28	S	S	.	.	S	Bend	trans	-141.7	-169	-176.5	68	49.2	0	0	0	112.4	T476 H480 I481	T476-D478 WeakPolarHBondContact CB-OD2 3.33Å; T476-D478 PolarHBondContact OG1-OD2 3.08Å; D478-H480 PolarHBondContact O-N 3.13Å; D478-H480 WeakPolarHBondContact OD1-CB 3.35Å; D478-H480 IonicContact OD1-CD2 3.87Å; D478-H480 PolarHBondContact OD1-CD2 3.28Å; D478-H480 IonicContact OD1-CG 3.58Å; D478-H480 PolarHBondContact OD1-N 2.84Å; D478-H480 IonicContact OD1-ND1 2.82Å; D478-H480 IonicContact OD1-NE2 3.16Å; D478-H480 IonicContact OD2-CD2 2.67Å; D478-H480 PolarHBondContact OD2-CD2 3.37Å; D478-H480 IonicContact OD2-NE2 2.89Å; D478-I481 PolarHBondContact O-N 3.14Å
479	E	90.7	Very high	87.3	Confident	93 Å²	93	43 Å²	43	44%	0.435	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-22.3	-175.9	-163.4	67.2	-143.3	0	0	114.1	I481 V482 S483 W524 R525	E479-I481 PolarHBondContact O-N 3.49Å; E479-V482 PolarHBondContact O-N 2.85Å; E479-S483 PolarHBondContact O-N 2.96Å; E479-S483 PolarHBondContact O-OG 3.48Å; E479-S483 VanDerWaalsContact O-OG 3.05Å; E479-W524 HydrophobicContact CB-CH2 4.33Å; E479-W524 HydrophobicContact CB-CZ2 4.38Å; E479-W524 VanDerWaalsContact OE2-CH2 3.22Å; E479-W524 WeakPolarHBondContact OE2-CH2 3.17Å; E479-R525 IonicContact OE1-NH2 2.79Å; E479-R525 IonicContact OE2-NH1 3.21Å; E479-R525 IonicContact OE2-NH2 3.71Å
480	H	92	Very high	87.6	Confident	22 Å²	22	42.8 Å²	42.8	10%	0.102	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-24.3	176.9	70.8	50.3	0	0	0	113.5	Y464 T476 D478 V482 S483 N484	Y464-H480 AromaticContact CE2-CE1 3.8Å; Y464-H480 AromaticContact CE2-ND1 3.5Å; Y464-H480 WeakPolarHBondContact CE2-ND1 3.47Å; Y464-H480 AromaticContact CZ-ND1 3.58Å; Y464-H480 VanDerWaalsContact OH-CG 3.29Å; Y464-H480 PolarHBondContact OH-ND1 3.48Å; Y464-H480 PolarHBondContact OH-O 3Å; T476-H480 PolarHBondContact O-CE1 2.86Å; T476-H480 PolarHBondContact O-NE2 2.92Å; T476-H480 PolarHBondContact OG1-NE2 3.39Å; D478-H480 PolarHBondContact O-N 3.13Å; D478-H480 WeakPolarHBondContact OD1-CB 3.35Å; D478-H480 IonicContact OD1-CD2 3.87Å; D478-H480 PolarHBondContact OD1-CD2 3.28Å; D478-H480 IonicContact OD1-CG 3.58Å; D478-H480 PolarHBondContact OD1-N 2.84Å; D478-H480 IonicContact OD1-ND1 2.82Å; D478-H480 IonicContact OD1-NE2 3.16Å; D478-H480 IonicContact OD2-CD2 2.67Å; D478-H480 PolarHBondContact OD2-CD2 3.37Å; D478-H480 IonicContact OD2-NE2 2.89Å; H480-V482 PolarHBondContact O-N 3.05Å; H480-S483 WeakPolarHBondContact CA-OG 3.48Å; H480-N484 VanDerWaalsContact O-CB 3.3Å; H480-N484 WeakPolarHBondContact O-CB 3.48Å; H480-N484 PolarHBondContact O-N 3.42Å; H480-N484 PolarHBondContact O-ND2 2.91Å
481	I	92.4	Very high	88.1	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-32.3	175.6	-62.9	174.1	0	0	0	110.2	H462 Y464 T477 D478 E479 M488 I517 D520	H462-I481 PolarHBondContact NE2-O 2.73Å; Y464-I481 HydrophobicContact CE2-CG1 4.21Å; T477-I481 HydrophobicContact CG2-CD1 3.44Å; T477-I481 VanDerWaalsContact CG2-CD1 3.44Å; D478-I481 PolarHBondContact O-N 3.14Å; E479-I481 PolarHBondContact O-N 3.49Å; I481-M488 HydrophobicContact CG2-CE 4.19Å; I481-I517 HydrophobicContact CG2-CG2 3.99Å; I481-D520 HydrophobicContact CD1-CB 4.34Å
482	V	93	Very high	88.8	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.024	23%	0.231	C	C	.	.	H	α-helix	trans	-86	-54.3	180	177.9	0	0	0	0	110.5	E479 H480 N484 S485 V489 D492 Y521 W524	E479-V482 PolarHBondContact O-N 2.85Å; H480-V482 PolarHBondContact O-N 3.05Å; V482-N484 PolarHBondContact O-N 2.93Å; V482-N484 VanDerWaalsContact O-N 3.17Å; V482-S485 PolarHBondContact O-N 3.14Å; V482-S485 VanDerWaalsContact O-O 3.08Å; V482-V489 HydrophobicContact CG1-CB 4.47Å; V482-V489 HydrophobicContact CG1-CG2 4.15Å; V482-V489 WeakPolarHBondContact O-CG2 3.4Å; V482-D492 HydrophobicContact CG1-CB 3.78Å; V482-D492 HydrophobicContact CG2-CB 4.23Å; V482-Y521 HydrophobicContact CG2-CD2 3.84Å; V482-Y521 HydrophobicContact CG2-CE2 3.77Å; V482-W524 HydrophobicContact CG2-CH2 4.34Å; V482-W524 HydrophobicContact CG2-CZ3 3.72Å
483	S	92	Very high	89.6	Confident	58 Å²	58	38.9 Å²	38.9	41%	0.406	22%	0.218	S	C	.	.	H	α-helix	trans	-64.6	-23.7	-172.3	54.9	0	0	0	0	114.6	E479 H480	E479-S483 PolarHBondContact O-N 2.96Å; E479-S483 PolarHBondContact O-OG 3.48Å; E479-S483 VanDerWaalsContact O-OG 3.05Å; H480-S483 WeakPolarHBondContact CA-OG 3.48Å
484	N	92.7	Very high	90.8	Very high	32 Å²	32	33.8 Å²	33.8	17%	0.171	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.7	178.9	-73.2	-41.4	0	0	0	114.7	S420 M422 P463 Y464 H480 V482	S420-N484 VanDerWaalsContact OG-C 3.31Å; S420-N484 PolarHBondContact OG-O 3.35Å; M422-N484 HydrophobicContact SD-CB 3.86Å; P463-N484 WeakPolarHBondContact CD-O 3.35Å; P463-N484 WeakPolarHBondContact CG-O 3.36Å; Y464-N484 HydrophobicContact CE1-CB 4.35Å; Y464-N484 PolarHBondContact OH-ND2 3.25Å; H480-N484 VanDerWaalsContact O-CB 3.3Å; H480-N484 WeakPolarHBondContact O-CB 3.48Å; H480-N484 PolarHBondContact O-N 3.42Å; H480-N484 PolarHBondContact O-ND2 2.91Å; V482-N484 PolarHBondContact O-N 2.93Å; V482-N484 VanDerWaalsContact O-N 3.17Å
485	S	94.5	Very high	91.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.			trans	-137.3	125.5	174.4	170	0	0	0	0	112.1	N461 H462 V482 K487 M488 V489	N461-S485 PolarHBondContact O-OG 2.93Å; H462-S485 WeakPolarHBondContact CD2-CB 3.36Å; V482-S485 PolarHBondContact O-N 3.14Å; V482-S485 VanDerWaalsContact O-O 3.08Å; S485-K487 PolarHBondContact O-N 3.29Å; S485-K487 PolarHBondContact OG-N 2.9Å; S485-M488 PolarHBondContact O-N 3.39Å; S485-M488 PolarHBondContact OG-N 3Å; S485-V489 WeakPolarHBondContact O-CG2 3.38Å; S485-V489 PolarHBondContact O-N 2.98Å
486	G	93	Very high	92.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-58.4	-35.1	176.5	0	0	0	0	0	113.2	V490 L684	G486-V490 PolarHBondContact O-N 3.16Å; G486-L684 VanDerWaalsContact CA-CD2 3.42Å
487	K	95.7	Very high	93.2	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-39.6	173.1	-67.6	-171.6	-175.6	-174.3	0	112.2	L417 C460 N461 S485 L491 Y592 L622 T624 E629	L417-K487 HydrophobicContact CD1-CB 4.43Å; L417-K487 HydrophobicContact CD1-CG 4.01Å; C460-K487 WeakPolarHBondContact O-CD 3.35Å; C460-K487 WeakPolarHBondContact O-CE 3.48Å; N461-K487 PolarHBondContact OD1-NZ 3.46Å; S485-K487 PolarHBondContact O-N 3.29Å; S485-K487 PolarHBondContact OG-N 2.9Å; K487-L491 WeakPolarHBondContact O-CB 3.03Å; K487-L491 PolarHBondContact O-N 3.15Å; K487-Y592 HydrophobicContact CB-CE1 3.94Å; K487-Y592 HydrophobicContact CB-CE2 4.1Å; K487-Y592 WeakPolarHBondContact CB-OH 3.5Å; K487-Y592 HydrophobicContact CD-CD1 3.88Å; K487-Y592 HydrophobicContact CD-CE1 3.5Å; K487-Y592 VanDerWaalsContact CD-CE1 3.5Å; K487-Y592 HydrophobicContact CG-CE1 4.39Å; K487-Y592 PolarHBondContact NZ-O 3.22Å; K487-L622 HydrophobicContact CB-CD1 4.24Å; K487-L622 HydrophobicContact CD-CB 4.29Å; K487-L622 HydrophobicContact CG-CB 4.37Å; K487-T624 VanDerWaalsContact CE-OG1 3.3Å; K487-T624 WeakPolarHBondContact CE-OG1 3.48Å; K487-E629 WeakPolarHBondContact CE-OE2 3.16Å; K487-E629 IonicContact NZ-OE1 3.69Å; K487-E629 PolarHBondContact NZ-OE1 3.14Å; K487-E629 IonicContact NZ-OE2 3.72Å; K487-E629 PolarHBondContact NZ-OE2 3.39Å
488	M	95.7	Very high	93.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69.1	-40.2	177.5	-68.9	-57.9	-65.2	0	0	112.2	I481 S485 V490 L491 D492 L518 Y521 Y592	I481-M488 HydrophobicContact CG2-CE 4.19Å; S485-M488 PolarHBondContact O-N 3.39Å; S485-M488 PolarHBondContact OG-N 3Å; M488-V490 VanDerWaalsContact C-N 3.3Å; M488-V490 PolarHBondContact O-N 3.37Å; M488-L491 HydrophobicContact CE-CD2 4.45Å; M488-L491 PolarHBondContact O-N 3.21Å; M488-L491 HydrophobicContact SD-CD2 4.09Å; M488-D492 VanDerWaalsContact O-CB 3.27Å; M488-D492 WeakPolarHBondContact O-CB 3.44Å; M488-D492 PolarHBondContact O-N 2.73Å; M488-L518 HydrophobicContact CE-CD2 4Å; M488-L518 HydrophobicContact SD-CD2 3.67Å; M488-Y521 HydrophobicContact CE-CD1 3.95Å; M488-Y521 HydrophobicContact CE-CD2 3.61Å; M488-Y521 HydrophobicContact CE-CE2 4.22Å; M488-Y521 HydrophobicContact CE-CG 3.46Å; M488-Y521 VanDerWaalsContact CE-CG 3.46Å; M488-Y592 WeakPolarHBondContact CG-OH 3.32Å; M488-Y592 HydrophobicContact SD-CE2 3.83Å; M488-Y592 PolarHBondContact SD-OH 2.9Å
489	V	94.2	Very high	94.1	Very high	30 Å²	30	25.3 Å²	25.3	18%	0.182	14%	0.135	C	C	.	.	H	α-helix	trans	-54.5	-47.7	174.5	174	0	0	0	0	111.3	V482 S485 K493 L684	V482-V489 HydrophobicContact CG1-CB 4.47Å; V482-V489 HydrophobicContact CG1-CG2 4.15Å; V482-V489 WeakPolarHBondContact O-CG2 3.4Å; S485-V489 WeakPolarHBondContact O-CG2 3.38Å; S485-V489 PolarHBondContact O-N 2.98Å; V489-K493 PolarHBondContact O-N 3.09Å; V489-L684 HydrophobicContact CG2-CD1 4.28Å
490	V	93.8	Very high	94.3	Very high	8 Å²	8	29.1 Å²	29.1	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-75.4	-36.6	179.7	172.1	0	0	0	0	112.5	I415 L417 G486 M488 D492 K493 L494 I689 I692	I415-V490 HydrophobicContact CG2-CG1 4.23Å; L417-V490 HydrophobicContact CD1-CB 4.11Å; L417-V490 HydrophobicContact CD1-CG2 4.3Å; L417-V490 HydrophobicContact CD2-CB 3.86Å; L417-V490 HydrophobicContact CD2-CG1 4.06Å; L417-V490 HydrophobicContact CD2-CG2 3.29Å; L417-V490 HydrophobicContact CG-CG2 4.41Å; G486-V490 PolarHBondContact O-N 3.16Å; M488-V490 VanDerWaalsContact C-N 3.3Å; M488-V490 PolarHBondContact O-N 3.37Å; V490-D492 VanDerWaalsContact C-N 3.26Å; V490-D492 PolarHBondContact O-N 3.26Å; V490-K493 PolarHBondContact O-N 2.98Å; V490-L494 WeakPolarHBondContact O-CB 3.49Å; V490-L494 PolarHBondContact O-N 3.5Å; V490-I689 HydrophobicContact CG1-CD1 3.82Å; V490-I692 HydrophobicContact CG1-CG2 4.49Å; V490-I692 HydrophobicContact CG2-CD1 4.13Å
491	L	95.8	Very high	94.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-40	174.9	-175.1	68.6	0	0	0	111.2	K487 M488 L494 L495 I507 L518 I590 Y592	K487-L491 WeakPolarHBondContact O-CB 3.03Å; K487-L491 PolarHBondContact O-N 3.15Å; M488-L491 HydrophobicContact CE-CD2 4.45Å; M488-L491 PolarHBondContact O-N 3.21Å; M488-L491 HydrophobicContact SD-CD2 4.09Å; L491-L494 PolarHBondContact O-N 2.84Å; L491-L495 HydrophobicContact CD1-CD1 3.95Å; L491-L495 HydrophobicContact CD1-CD2 4.47Å; L491-L495 HydrophobicContact CD1-CG 3.95Å; L491-L495 HydrophobicContact CD2-CD1 4.15Å; L491-L495 HydrophobicContact CG-CD1 3.69Å; L491-L495 HydrophobicContact CG-CG 4.09Å; L491-L495 WeakPolarHBondContact O-CB 3.33Å; L491-L495 VanDerWaalsContact O-CG 3.26Å; L491-L495 WeakPolarHBondContact O-CG 3.48Å; L491-L495 PolarHBondContact O-N 3.28Å; L491-I507 HydrophobicContact CD1-CD1 4.38Å; L491-I507 HydrophobicContact CD2-CD1 4.49Å; L491-L518 HydrophobicContact CD2-CD2 3.45Å; L491-L518 VanDerWaalsContact CD2-CD2 3.45Å; L491-I590 HydrophobicContact CD1-CD1 3.64Å; L491-I590 HydrophobicContact CD1-CG2 4.18Å; L491-Y592 HydrophobicContact CD2-CD2 4.05Å; L491-Y592 HydrophobicContact CD2-CE2 3.8Å
492	D	95.6	Very high	94.3	Very high	23 Å²	23	34.6 Å²	34.6	12%	0.123	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-52.2	178.9	-174.6	65.8	0	0	0	112.1	V482 M488 V490 L494 L495 A496 Y521 R525	V482-D492 HydrophobicContact CG1-CB 3.78Å; V482-D492 HydrophobicContact CG2-CB 4.23Å; M488-D492 VanDerWaalsContact O-CB 3.27Å; M488-D492 WeakPolarHBondContact O-CB 3.44Å; M488-D492 PolarHBondContact O-N 2.73Å; V490-D492 VanDerWaalsContact C-N 3.26Å; V490-D492 PolarHBondContact O-N 3.26Å; D492-L494 VanDerWaalsContact C-N 3.32Å; D492-L494 PolarHBondContact O-N 3.31Å; D492-L495 PolarHBondContact O-N 3.48Å; D492-A496 PolarHBondContact O-N 3.33Å; D492-Y521 WeakPolarHBondContact CA-OH 3.32Å; D492-Y521 HydrophobicContact CB-CE2 4.25Å; D492-Y521 VanDerWaalsContact OD1-CE2 3.31Å; D492-Y521 WeakPolarHBondContact OD1-CE2 3.39Å; D492-Y521 PolarHBondContact OD1-OH 3.24Å; D492-R525 IonicContact OD1-CZ 2.97Å; D492-R525 VanDerWaalsContact OD1-CZ 3.26Å; D492-R525 IonicContact OD1-NE 2.61Å; D492-R525 PolarHBondContact OD1-NE 2.8Å; D492-R525 IonicContact OD1-NH2 3.53Å; D492-R525 PolarHBondContact OD1-NH2 3.05Å; D492-R525 IonicContact OD2-CZ 2.63Å; D492-R525 IonicContact OD2-NE 2.66Å; D492-R525 IonicContact OD2-NH2 3.09Å; D492-R525 PolarHBondContact OD2-NH2 3.25Å
493	K	94.6	Very high	94.3	Very high	50 Å²	50	34.7 Å²	34.7	22%	0.217	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-41.3	174.4	-65.5	-179.4	173.5	-177.4	0	112.1	V489 V490 K497 D686 E687 I689	V489-K493 PolarHBondContact O-N 3.09Å; V490-K493 PolarHBondContact O-N 2.98Å; K493-K497 PolarHBondContact O-N 3.41Å; K493-D686 IonicContact NZ-OD1 2.76Å; K493-D686 PolarHBondContact NZ-OD1 3.34Å; K493-E687 PolarHBondContact NZ-O 2.7Å; K493-I689 HydrophobicContact CB-CB 4.03Å; K493-I689 HydrophobicContact CB-CD1 4.37Å; K493-I689 HydrophobicContact CB-CG1 4.38Å
494	L	95.1	Very high	94.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-67.3	-48.7	-179	-178.1	59.7	0	0	0	111.8	I415 V490 L491 D492 A496 K497 L498 I590 F620 I689 L693	I415-L494 HydrophobicContact CD1-CD2 4.49Å; V490-L494 WeakPolarHBondContact O-CB 3.49Å; V490-L494 PolarHBondContact O-N 3.5Å; L491-L494 PolarHBondContact O-N 2.84Å; D492-L494 VanDerWaalsContact C-N 3.32Å; D492-L494 PolarHBondContact O-N 3.31Å; L494-A496 VanDerWaalsContact C-N 3.34Å; L494-A496 PolarHBondContact O-N 3.46Å; L494-K497 PolarHBondContact O-N 2.72Å; L494-L498 HydrophobicContact CD1-CD1 4.04Å; L494-L498 HydrophobicContact CD1-CD2 4.48Å; L494-L498 HydrophobicContact CD1-CG 4.05Å; L494-L498 HydrophobicContact CD2-CD1 4.44Å; L494-L498 HydrophobicContact CG-CD1 3.79Å; L494-L498 HydrophobicContact CG-CG 4.22Å; L494-L498 WeakPolarHBondContact O-CB 3.38Å; L494-L498 WeakPolarHBondContact O-CG 3.45Å; L494-L498 PolarHBondContact O-N 2.95Å; L494-I590 HydrophobicContact CD2-CD1 3.84Å; L494-I590 HydrophobicContact CD2-CG1 4.42Å; L494-F620 HydrophobicContact CD1-CE2 4.29Å; L494-F620 HydrophobicContact CD1-CZ 4.38Å; L494-F620 HydrophobicContact CD2-CB 4.28Å; L494-F620 HydrophobicContact CD2-CD2 4.02Å; L494-F620 HydrophobicContact CD2-CG 4.08Å; L494-I689 HydrophobicContact CB-CD1 4.1Å; L494-I689 HydrophobicContact CB-CG1 4.33Å; L494-I689 HydrophobicContact CD1-CG1 4.32Å; L494-L693 HydrophobicContact CD1-CD1 4.36Å
495	L	96.7	Very high	94.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.1	-38.1	-177.8	-74	175.3	0	0	0	112.3	L491 D492 K497 L498 K499 V505 I507 Y521 Y527 F568 I569 I590	L491-L495 HydrophobicContact CD1-CD1 3.95Å; L491-L495 HydrophobicContact CD1-CD2 4.47Å; L491-L495 HydrophobicContact CD1-CG 3.95Å; L491-L495 HydrophobicContact CD2-CD1 4.15Å; L491-L495 HydrophobicContact CG-CD1 3.69Å; L491-L495 HydrophobicContact CG-CG 4.09Å; L491-L495 WeakPolarHBondContact O-CB 3.33Å; L491-L495 VanDerWaalsContact O-CG 3.26Å; L491-L495 WeakPolarHBondContact O-CG 3.48Å; L491-L495 PolarHBondContact O-N 3.28Å; D492-L495 PolarHBondContact O-N 3.48Å; L495-K497 PolarHBondContact O-N 3.32Å; L495-L498 PolarHBondContact O-N 3.39Å; L495-K499 WeakPolarHBondContact O-CB 3.18Å; L495-K499 PolarHBondContact O-N 2.64Å; L495-V505 HydrophobicContact CD2-CB 4.42Å; L495-V505 HydrophobicContact CD2-CG1 4.06Å; L495-V505 HydrophobicContact CD2-CG2 4.25Å; L495-I507 HydrophobicContact CD1-CD1 4.33Å; L495-I507 HydrophobicContact CD2-CD1 4.38Å; L495-Y521 HydrophobicContact CD1-CE1 3.66Å; L495-Y527 HydrophobicContact CB-CE2 3.94Å; L495-Y527 HydrophobicContact CD1-CD2 4.47Å; L495-Y527 HydrophobicContact CD1-CE2 4.24Å; L495-F568 HydrophobicContact CB-CE1 4.37Å; L495-F568 HydrophobicContact CD2-CE1 4.11Å; L495-F568 HydrophobicContact CD2-CZ 4.18Å; L495-F568 WeakPolarHBondContact O-CZ 3.33Å; L495-I569 HydrophobicContact CD1-CD1 3.94Å; L495-I569 HydrophobicContact CD2-CD1 4.08Å; L495-I569 HydrophobicContact CD2-CG1 4.38Å; L495-I590 HydrophobicContact CD2-CD1 4.18Å
496	A	94.8	Very high	94.8	Very high	49 Å²	49	32.4 Å²	32.4	41%	0.405	17%	0.173	S	C	.	.	H	α-helix	trans	-56.9	-50.4	174.6	0	0	0	0	0	111.4	D492 L494 L498 K499 E500	D492-A496 PolarHBondContact O-N 3.33Å; L494-A496 VanDerWaalsContact C-N 3.34Å; L494-A496 PolarHBondContact O-N 3.46Å; A496-L498 PolarHBondContact O-N 3.04Å; A496-K499 PolarHBondContact O-N 3.45Å; A496-E500 PolarHBondContact O-N 2.75Å; A496-E500 VanDerWaalsContact O-N 3.16Å
497	K	94.7	Very high	94.9	Very high	53 Å²	53	32.3 Å²	32.3	23%	0.23	17%	0.172	C	C	.	.	H	α-helix	trans	-63.9	-39.3	177.3	-175.8	173.2	-176.9	176.3	0	112.9	K493 L494 L495 E500 Q501 I689	K493-K497 PolarHBondContact O-N 3.41Å; L494-K497 PolarHBondContact O-N 2.72Å; L495-K497 PolarHBondContact O-N 3.32Å; K497-E500 PolarHBondContact O-N 3.45Å; K497-Q501 VanDerWaalsContact O-CG 3.31Å; K497-Q501 WeakPolarHBondContact O-CG 3.44Å; K497-Q501 PolarHBondContact O-N 2.82Å; K497-I689 HydrophobicContact CD-CG2 3.68Å
498	L	95.4	Very high	94.9	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-68.1	-35.2	178.6	-70.3	179.1	0	0	0	112.6	L494 L495 A496 Q501 G502 S503 V505 F568 V588 I590 F620	L494-L498 HydrophobicContact CD1-CD1 4.04Å; L494-L498 HydrophobicContact CD1-CD2 4.48Å; L494-L498 HydrophobicContact CD1-CG 4.05Å; L494-L498 HydrophobicContact CD2-CD1 4.44Å; L494-L498 HydrophobicContact CG-CD1 3.79Å; L494-L498 HydrophobicContact CG-CG 4.22Å; L494-L498 WeakPolarHBondContact O-CB 3.38Å; L494-L498 WeakPolarHBondContact O-CG 3.45Å; L494-L498 PolarHBondContact O-N 2.95Å; L495-L498 PolarHBondContact O-N 3.39Å; A496-L498 PolarHBondContact O-N 3.04Å; L498-Q501 PolarHBondContact O-N 3.21Å; L498-G502 PolarHBondContact O-N 3.36Å; L498-S503 PolarHBondContact O-N 2.78Å; L498-S503 VanDerWaalsContact O-N 3.11Å; L498-V505 HydrophobicContact CB-CG2 4.21Å; L498-V505 HydrophobicContact CD1-CG2 3.84Å; L498-F568 HydrophobicContact CB-CE2 4.45Å; L498-F568 HydrophobicContact CB-CZ 4.11Å; L498-V588 HydrophobicContact CD1-CB 4.44Å; L498-V588 HydrophobicContact CD1-CG1 3.77Å; L498-V588 HydrophobicContact CD1-CG2 4.46Å; L498-V588 HydrophobicContact CD2-CG1 4.49Å; L498-V588 HydrophobicContact CD2-CG2 3.92Å; L498-I590 HydrophobicContact CD1-CD1 4.31Å; L498-F620 HydrophobicContact CD2-CE2 4.49Å
499	K	94.3	Very high	94.8	Very high	99 Å²	99	32.3 Å²	32.3	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-67.1	-42.2	175.6	-170.1	173.4	179.1	-176.9	0	111.2	L495 A496 Q501 G502 Y527 F568	L495-K499 WeakPolarHBondContact O-CB 3.18Å; L495-K499 PolarHBondContact O-N 2.64Å; A496-K499 PolarHBondContact O-N 3.45Å; K499-Q501 PolarHBondContact O-N 3.48Å; K499-G502 PolarHBondContact O-N 3.36Å; K499-Y527 HydrophobicContact CD-CD1 3.75Å; K499-Y527 HydrophobicContact CD-CE1 3.41Å; K499-Y527 VanDerWaalsContact CD-CE1 3.41Å; K499-F568 HydrophobicContact CB-CD1 4.41Å; K499-F568 HydrophobicContact CB-CE1 3.85Å; K499-F568 HydrophobicContact CB-CE2 3.99Å; K499-F568 HydrophobicContact CB-CZ 3.62Å; K499-F568 HydrophobicContact CD-CD1 4.27Å; K499-F568 HydrophobicContact CD-CE1 4.37Å; K499-F568 HydrophobicContact CG-CD1 4.39Å; K499-F568 HydrophobicContact CG-CE1 4.31Å; K499-F568 HydrophobicContact CG-CE2 4.46Å; K499-F568 HydrophobicContact CG-CZ 4.36Å
500	E	93.5	Very high	94.6	Very high	173 Å²	173	32.3 Å²	32.3	81%	0.808	17%	0.17	S	C	*	.	H	α-helix	trans	-59.4	-36.7	174.3	-171.2	-177.1	-174.8	0	0	112	A496 K497 G502	A496-E500 PolarHBondContact O-N 2.75Å; A496-E500 VanDerWaalsContact O-N 3.16Å; K497-E500 PolarHBondContact O-N 3.45Å; E500-G502 PolarHBondContact O-N 3.09Å
501	Q	92.9	Very high	94.2	Very high	90 Å²	90	32.6 Å²	32.6	42%	0.421	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-7.5	175.4	-69.4	172.9	5.1	0	0	114.2	K497 L498 K499 S503	K497-Q501 VanDerWaalsContact O-CG 3.31Å; K497-Q501 WeakPolarHBondContact O-CG 3.44Å; K497-Q501 PolarHBondContact O-N 2.82Å; L498-Q501 PolarHBondContact O-N 3.21Å; K499-Q501 PolarHBondContact O-N 3.48Å; Q501-S503 PolarHBondContact O-N 3.08Å
502	G	91.6	Very high	93.7	Very high	51 Å²	51	33.2 Å²	33.2	53%	0.526	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	27.2	-173.6	0	0	0	0	0	113.5	L498 K499 E500	L498-G502 PolarHBondContact O-N 3.36Å; K499-G502 PolarHBondContact O-N 3.36Å; E500-G502 PolarHBondContact O-N 3.09Å
503	S	94.4	Very high	93.3	Very high	7 Å²	7	36.8 Å²	36.8	5%	0.049	19%	0.187	C	C	.	.			trans	-74.8	156.2	173.7	-75.4	0	0	0	0	111.1	L498 Q501 F568 D587 R618	L498-S503 PolarHBondContact O-N 2.78Å; L498-S503 VanDerWaalsContact O-N 3.11Å; Q501-S503 PolarHBondContact O-N 3.08Å; S503-F568 WeakPolarHBondContact O-CD2 3.4Å; S503-F568 WeakPolarHBondContact O-CE2 3.39Å; S503-D587 VanDerWaalsContact CA-OD1 3.29Å; S503-D587 WeakPolarHBondContact CA-OD1 3.15Å; S503-D587 WeakPolarHBondContact CB-OD1 3.25Å; S503-D587 WeakPolarHBondContact CB-OD2 3.47Å; S503-D587 PolarHBondContact OG-OD2 2.95Å; S503-R618 PolarHBondContact OG-NH2 3.26Å; S503-R618 VanDerWaalsContact OG-NH2 3.15Å
504	R	95.3	Very high	93.3	Very high	41 Å²	41	34.4 Å²	34.4	16%	0.155	18%	0.176	C	C	.	.			trans	-110	133.6	166.8	-74.7	-177.6	-168.7	172.9	3.8	109.2	F560 A562 S565 S585 A586 D587 V588	R504-F560 HydrophobicContact CB-CE2 4.33Å; R504-F560 HydrophobicContact CB-CZ 3.9Å; R504-F560 PolarHBondContact NH1-O 2.88Å; R504-A562 PolarHBondContact NH1-O 3.44Å; R504-A562 PolarHBondContact NH2-O 3.29Å; R504-S565 VanDerWaalsContact NH2-N 3.17Å; R504-S585 PolarHBondContact NH1-OG 2.91Å; R504-A586 HydrophobicContact CB-CB 4.37Å; R504-A586 WeakPolarHBondContact O-CA 3.34Å; R504-D587 PolarHBondContact N-OD1 3.49Å; R504-D587 PolarHBondContact O-N 3.19Å; R504-V588 PolarHBondContact O-N 3.34Å
505	V	97.2	Very high	93.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.1	-165.6	-173.8	0	0	0	0	110.9	L495 L498 I507 F568 I569 F570 V588 I590	L495-V505 HydrophobicContact CD2-CB 4.42Å; L495-V505 HydrophobicContact CD2-CG1 4.06Å; L495-V505 HydrophobicContact CD2-CG2 4.25Å; L498-V505 HydrophobicContact CB-CG2 4.21Å; L498-V505 HydrophobicContact CD1-CG2 3.84Å; V505-I507 HydrophobicContact CG1-CG1 3.98Å; V505-F568 HydrophobicContact CG2-CD2 4.41Å; V505-F568 HydrophobicContact CG2-CE2 3.63Å; V505-F568 HydrophobicContact CG2-CZ 3.79Å; V505-F568 PolarHBondContact N-O 3.07Å; V505-I569 CarbonylContact O-C 3.58Å; V505-I569 WeakPolarHBondContact O-CA 3.3Å; V505-F570 PolarHBondContact O-N 2.81Å; V505-V588 WeakPolarHBondContact CA-O 3.47Å; V505-V588 HydrophobicContact CG1-CG1 4.3Å; V505-V588 HydrophobicContact CG2-CB 4.22Å; V505-I590 HydrophobicContact CG1-CD1 3.67Å; V505-I590 HydrophobicContact CG1-CG1 3.92Å
506	L	96	Very high	92.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.7	164.1	-52.3	-174.4	0	0	0	109	F508 F560 F570 L572 L583 A586 V588 V589 I590 R607 A608	L506-F508 HydrophobicContact CB-CD2 4.38Å; L506-F508 HydrophobicContact CB-CE2 3.76Å; L506-F508 HydrophobicContact CB-CZ 4.33Å; L506-F508 HydrophobicContact CD1-CE2 4.07Å; L506-F508 HydrophobicContact CD1-CZ 4.13Å; L506-F560 HydrophobicContact CD2-CE1 3.81Å; L506-F560 HydrophobicContact CD2-CZ 3.72Å; L506-F570 CarbonylContact C-O 3.58Å; L506-F570 WeakPolarHBondContact CA-O 3.48Å; L506-F570 HydrophobicContact CD2-CB 3.59Å; L506-F570 HydrophobicContact CD2-CG 4.41Å; L506-L572 HydrophobicContact CB-CD1 4.39Å; L506-L572 HydrophobicContact CD2-CD1 4.28Å; L506-L583 HydrophobicContact CD1-CB 3.93Å; L506-L583 HydrophobicContact CD1-CD1 4.02Å; L506-L583 HydrophobicContact CD2-CB 4.15Å; L506-L583 HydrophobicContact CD2-CD1 3.86Å; L506-A586 HydrophobicContact CD1-CB 4.05Å; L506-A586 HydrophobicContact CD2-CB 3.73Å; L506-A586 HydrophobicContact CG-CB 3.52Å; L506-V588 PolarHBondContact N-O 2.96Å; L506-V589 HydrophobicContact CB-CG2 4.41Å; L506-V589 HydrophobicContact CD1-CG2 4.3Å; L506-V589 CarbonylContact O-C 3.57Å; L506-V589 WeakPolarHBondContact O-CA 3.39Å; L506-I590 PolarHBondContact O-N 3.41Å; L506-R607 HydrophobicContact CD1-CB 4.3Å; L506-A608 HydrophobicContact CD1-CB 3.89Å
507	I	96.8	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.6	172.8	-54.8	178.4	0	0	0	108.1	L491 L495 V505 L518 I569 F570 M571 L572 I590	L491-I507 HydrophobicContact CD1-CD1 4.38Å; L491-I507 HydrophobicContact CD2-CD1 4.49Å; L495-I507 HydrophobicContact CD1-CD1 4.33Å; L495-I507 HydrophobicContact CD2-CD1 4.38Å; V505-I507 HydrophobicContact CG1-CG1 3.98Å; I507-L518 HydrophobicContact CG2-CD1 3.97Å; I507-I569 HydrophobicContact CD1-CD1 4.48Å; I507-I569 HydrophobicContact CD1-CG2 3.66Å; I507-I569 HydrophobicContact CG1-CG2 3.99Å; I507-F570 PolarHBondContact N-O 3.16Å; I507-M571 HydrophobicContact CB-CG 4.35Å; I507-M571 CarbonylContact O-C 3.54Å; I507-M571 WeakPolarHBondContact O-CA 3.5Å; I507-L572 PolarHBondContact O-N 3.08Å; I507-I590 WeakPolarHBondContact CA-O 3.27Å; I507-I590 HydrophobicContact CG1-CB 4.35Å; I507-I590 HydrophobicContact CG1-CD1 4.47Å
508	F	94.6	Very high	92.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.2	175.1	-66	-82.5	0	0	0	111.1	L506 L572 T574 V589 I590 L591 Y592 A604 R607	L506-F508 HydrophobicContact CB-CD2 4.38Å; L506-F508 HydrophobicContact CB-CE2 3.76Å; L506-F508 HydrophobicContact CB-CZ 4.33Å; L506-F508 HydrophobicContact CD1-CE2 4.07Å; L506-F508 HydrophobicContact CD1-CZ 4.13Å; F508-L572 WeakPolarHBondContact CA-O 3.48Å; F508-L572 HydrophobicContact CD1-CB 3.6Å; F508-L572 HydrophobicContact CD1-CD1 4.49Å; F508-L572 HydrophobicContact CE1-CB 3.52Å; F508-L572 HydrophobicContact CE1-CD1 3.91Å; F508-L572 HydrophobicContact CE1-CD2 4.13Å; F508-L572 HydrophobicContact CE1-CG 4.06Å; F508-L572 HydrophobicContact CZ-CB 4.48Å; F508-L572 HydrophobicContact CZ-CD1 4.05Å; F508-T574 HydrophobicContact CB-CG2 4.49Å; F508-V589 HydrophobicContact CD2-CG1 3.68Å; F508-V589 HydrophobicContact CE2-CG1 3.7Å; F508-I590 PolarHBondContact N-O 2.92Å; F508-L591 HydrophobicContact CB-CD2 3.76Å; F508-L591 HydrophobicContact CD2-CD2 3.91Å; F508-L591 HydrophobicContact CG-CD2 4.15Å; F508-Y592 WeakPolarHBondContact O-CB 2.99Å; F508-Y592 PolarHBondContact O-N 3.27Å; F508-A604 HydrophobicContact CD1-CB 3.76Å; F508-A604 HydrophobicContact CD2-CB 4.04Å; F508-A604 HydrophobicContact CE1-CB 3.7Å; F508-A604 HydrophobicContact CE2-CB 3.97Å; F508-A604 HydrophobicContact CG-CB 3.93Å; F508-A604 HydrophobicContact CZ-CB 3.8Å; F508-A604 WeakPolarHBondContact CZ-O 3.38Å; F508-R607 HydrophobicContact CZ-CB 4.45Å; F508-R607 HydrophobicContact CZ-CG 4.23Å
509	S	93.9	Very high	92.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.2	171.4	174.7	0	0	0	0	111	M511 L514 L572 S573 T574 D593	S509-M511 VanDerWaalsContact C-N 3.31Å; S509-M511 PolarHBondContact OG-N 3.11Å; S509-M511 VanDerWaalsContact OG-N 3.16Å; S509-M511 PolarHBondContact OG-O 2.91Å; S509-L514 WeakPolarHBondContact OG-CD2 3.42Å; S509-L572 PolarHBondContact N-O 2.89Å; S509-L572 VanDerWaalsContact N-O 3.1Å; S509-S573 CarbonylContact O-C 3.35Å; S509-S573 WeakPolarHBondContact O-CA 3.47Å; S509-T574 VanDerWaalsContact C-OG1 3.24Å; S509-T574 PolarHBondContact O-N 3.01Å; S509-T574 PolarHBondContact O-OG1 3.25Å; S509-D593 WeakPolarHBondContact CA-OD1 3.17Å; S509-D593 PolarHBondContact OG-OD2 3.23Å
510	Q	88.8	Confident	92.4	Very high	31 Å²	31	32.2 Å²	32.2	15%	0.145	16%	0.164	C	C	.	.	S	Bend	trans	-77.1	-19.6	174.1	-65.8	-66.2	-18	0	0	112.5	T574 D593 D595	Q510-T574 PolarHBondContact N-OG1 3.15Å; Q510-T574 PolarHBondContact NE2-OG1 2.66Å; Q510-D593 WeakPolarHBondContact CB-OD1 3.48Å; Q510-D593 VanDerWaalsContact CG-OD1 3.28Å; Q510-D593 WeakPolarHBondContact CG-OD1 3.4Å; Q510-D593 PolarHBondContact N-OD1 3.35Å; Q510-D595 VanDerWaalsContact CD-OD2 3.28Å; Q510-D595 PolarHBondContact NE2-OD2 3.08Å; Q510-D595 PolarHBondContact OE1-OD2 2.88Å
511	M	86.7	Confident	92.5	Very high	13 Å²	13	24 Å²	24	6%	0.064	13%	0.125	C	C	.	.			trans	-110.9	114.5	-173	-59	-172.2	-172.7	0	0	111.2	M454 R457 K458 N461 L465 S509 R513 L514 L515	M454-M511 HydrophobicContact SD-CE 3.82Å; R457-M511 HydrophobicContact CB-CE 3.99Å; K458-M511 HydrophobicContact CG-CE 3.81Å; K458-M511 HydrophobicContact CG-SD 3.79Å; N461-M511 PolarHBondContact ND2-SD 2.84Å; N461-M511 VanDerWaalsContact ND2-SD 3.45Å; L465-M511 HydrophobicContact CD1-SD 3.75Å; S509-M511 VanDerWaalsContact C-N 3.31Å; S509-M511 PolarHBondContact OG-N 3.11Å; S509-M511 VanDerWaalsContact OG-N 3.16Å; S509-M511 PolarHBondContact OG-O 2.91Å; M511-R513 VanDerWaalsContact C-N 3.29Å; M511-R513 PolarHBondContact O-N 2.86Å; M511-L514 HydrophobicContact CB-CB 3.94Å; M511-L514 VanDerWaalsContact O-CB 3.29Å; M511-L514 WeakPolarHBondContact O-CB 3.36Å; M511-L514 PolarHBondContact O-N 2.88Å; M511-L515 PolarHBondContact O-N 3.21Å
512	T	85.2	Confident	92.6	Very high	14 Å²	14	19.7 Å²	19.7	9%	0.086	11%	0.105	C	C	.	.	H	α-helix	trans	-62.6	-35.1	177.6	57.7	0	0	0	0	112.7	L514 L515 D516 R531 D533	T512-L514 PolarHBondContact O-N 2.99Å; T512-L515 WeakPolarHBondContact O-CA 3.39Å; T512-L515 VanDerWaalsContact O-CB 3.25Å; T512-L515 WeakPolarHBondContact O-CB 3.44Å; T512-L515 PolarHBondContact O-N 2.95Å; T512-D516 PolarHBondContact O-N 3.1Å; T512-D516 VanDerWaalsContact O-N 3.1Å; T512-R531 PolarHBondContact O-NH2 3.28Å; T512-D533 HydrophobicContact CG2-CB 3.85Å
513	R	87.9	Confident	92.5	Very high	97 Å²	97	23 Å²	23	37%	0.366	11%	0.108	S	C	.	.	H	α-helix	trans	-60.1	-27.6	171.9	-74.3	-174	66.9	172.6	1.1	113.7	L465 D467 M511 D516 I517	L465-R513 HydrophobicContact CD2-CB 3.53Å; D467-R513 IonicContact OD1-CZ 2.75Å; D467-R513 IonicContact OD1-NH1 3.03Å; D467-R513 IonicContact OD1-NH2 3.63Å; D467-R513 PolarHBondContact OD1-NH2 2.98Å; D467-R513 VanDerWaalsContact OD1-NH2 3.08Å; M511-R513 VanDerWaalsContact C-N 3.29Å; M511-R513 PolarHBondContact O-N 2.86Å; R513-D516 WeakPolarHBondContact O-CB 3.34Å; R513-D516 PolarHBondContact O-N 3.33Å; R513-I517 PolarHBondContact O-N 3.28Å
514	L	92.9	Very high	92.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-75.1	-33.3	174.2	-178.7	62.7	0	0	0	110.6	N461 H462 L465 S509 M511 T512 D516 I517 L518 Y592	N461-L514 HydrophobicContact CB-CD1 4.26Å; N461-L514 HydrophobicContact CB-CD2 3.92Å; H462-L514 HydrophobicContact CB-CD1 4.07Å; L465-L514 HydrophobicContact CD2-CB 4.44Å; S509-L514 WeakPolarHBondContact OG-CD2 3.42Å; M511-L514 HydrophobicContact CB-CB 3.94Å; M511-L514 VanDerWaalsContact O-CB 3.29Å; M511-L514 WeakPolarHBondContact O-CB 3.36Å; M511-L514 PolarHBondContact O-N 2.88Å; T512-L514 PolarHBondContact O-N 2.99Å; L514-D516 VanDerWaalsContact C-N 3.26Å; L514-D516 PolarHBondContact O-N 3.4Å; L514-I517 HydrophobicContact CD1-CD1 4.35Å; L514-I517 PolarHBondContact O-N 3.38Å; L514-L518 HydrophobicContact CG-CD1 4.48Å; L514-L518 WeakPolarHBondContact O-CG 3.42Å; L514-L518 PolarHBondContact O-N 2.83Å; L514-Y592 HydrophobicContact CD1-CE1 3.87Å; L514-Y592 HydrophobicContact CD2-CD1 3.2Å; L514-Y592 HydrophobicContact CD2-CE1 3.36Å; L514-Y592 HydrophobicContact CD2-CG 4Å; L514-Y592 HydrophobicContact CG-CD1 4.24Å; L514-Y592 HydrophobicContact CG-CE1 4.08Å
515	L	91.6	Very high	92.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.5	-35.8	170.7	-54.4	-178.7	0	0	0	111.2	M511 T512 I517 L518 E519 D533 M571	M511-L515 PolarHBondContact O-N 3.21Å; T512-L515 WeakPolarHBondContact O-CA 3.39Å; T512-L515 VanDerWaalsContact O-CB 3.25Å; T512-L515 WeakPolarHBondContact O-CB 3.44Å; T512-L515 PolarHBondContact O-N 2.95Å; L515-I517 VanDerWaalsContact C-N 3.34Å; L515-I517 PolarHBondContact O-N 2.74Å; L515-L518 HydrophobicContact CD2-CD1 4.11Å; L515-L518 CarbonylContact O-C 3.56Å; L515-L518 PolarHBondContact O-N 3.42Å; L515-E519 WeakPolarHBondContact O-CG 3.36Å; L515-E519 PolarHBondContact O-N 2.85Å; L515-D533 HydrophobicContact CD1-CB 3.78Å; L515-M571 HydrophobicContact CD2-CB 4.2Å
516	D	90.5	Very high	92.1	Very high	49 Å²	49	30.8 Å²	30.8	26%	0.262	15%	0.153	S	C	.	.	H	α-helix	trans	-59	-45.1	172.9	-54.3	-21.3	0	0	0	111.3	T512 R513 L514 L518 E519 D520 R531	T512-D516 PolarHBondContact O-N 3.1Å; T512-D516 VanDerWaalsContact O-N 3.1Å; R513-D516 WeakPolarHBondContact O-CB 3.34Å; R513-D516 PolarHBondContact O-N 3.33Å; L514-D516 VanDerWaalsContact C-N 3.26Å; L514-D516 PolarHBondContact O-N 3.4Å; D516-L518 VanDerWaalsContact C-N 3.32Å; D516-L518 PolarHBondContact O-N 3.08Å; D516-E519 WeakPolarHBondContact O-CB 3.22Å; D516-E519 PolarHBondContact O-N 2.85Å; D516-D520 PolarHBondContact O-N 2.92Å; D516-R531 IonicContact OD1-CZ 3.47Å; D516-R531 IonicContact OD1-NH1 3.98Å; D516-R531 PolarHBondContact OD1-NH1 3.29Å; D516-R531 IonicContact OD1-NH2 3.74Å; D516-R531 PolarHBondContact OD1-NH2 3.11Å
517	I	93	Very high	92.1	Very high	16 Å²	16	31.9 Å²	31.9	8%	0.082	16%	0.157	C	C	.	.	H	α-helix	trans	-64.1	-40	176.9	-61.8	167.7	0	0	0	110.7	H462 L465 I481 R513 L514 L515 E519 D520 Y521	H462-I517 HydrophobicContact CB-CD1 3.85Å; L465-I517 HydrophobicContact CD2-CD1 3.82Å; L465-I517 HydrophobicContact CG-CD1 3.99Å; I481-I517 HydrophobicContact CG2-CG2 3.99Å; R513-I517 PolarHBondContact O-N 3.28Å; L514-I517 HydrophobicContact CD1-CD1 4.35Å; L514-I517 PolarHBondContact O-N 3.38Å; L515-I517 VanDerWaalsContact C-N 3.34Å; L515-I517 PolarHBondContact O-N 2.74Å; I517-E519 VanDerWaalsContact C-N 3.34Å; I517-D520 PolarHBondContact O-N 3.48Å; I517-Y521 WeakPolarHBondContact O-CB 2.88Å; I517-Y521 PolarHBondContact O-N 3.3Å
518	L	94.8	Very high	91.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-68.8	-32.2	176.9	-69	172	0	0	0	112.3	M488 L491 I507 L514 L515 D516 C522 M571 Y592	M488-L518 HydrophobicContact CE-CD2 4Å; M488-L518 HydrophobicContact SD-CD2 3.67Å; L491-L518 HydrophobicContact CD2-CD2 3.45Å; L491-L518 VanDerWaalsContact CD2-CD2 3.45Å; I507-L518 HydrophobicContact CG2-CD1 3.97Å; L514-L518 HydrophobicContact CG-CD1 4.48Å; L514-L518 WeakPolarHBondContact O-CG 3.42Å; L514-L518 PolarHBondContact O-N 2.83Å; L515-L518 HydrophobicContact CD2-CD1 4.11Å; L515-L518 CarbonylContact O-C 3.56Å; L515-L518 PolarHBondContact O-N 3.42Å; D516-L518 VanDerWaalsContact C-N 3.32Å; D516-L518 PolarHBondContact O-N 3.08Å; L518-C522 WeakPolarHBondContact O-CB 3.15Å; L518-C522 PolarHBondContact O-N 3.24Å; L518-C522 PolarHBondContact O-SG 3.18Å; L518-M571 HydrophobicContact CB-SD 3.39Å; L518-M571 WeakPolarHBondContact CB-SD 3.14Å; L518-M571 HydrophobicContact CD1-SD 4.33Å; L518-Y592 HydrophobicContact CD1-CD2 4.44Å; L518-Y592 HydrophobicContact CD2-CD2 4.4Å; L518-Y592 HydrophobicContact CD2-CE2 4.05Å
519	E	92.6	Very high	91.9	Very high	43 Å²	43	38.2 Å²	38.2	20%	0.201	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-51	171.4	-76.6	-165.6	121.8	0	0	111	L515 D516 I517 Y521 C522 M523 Y529 R531 M571	L515-E519 WeakPolarHBondContact O-CG 3.36Å; L515-E519 PolarHBondContact O-N 2.85Å; D516-E519 WeakPolarHBondContact O-CB 3.22Å; D516-E519 PolarHBondContact O-N 2.85Å; I517-E519 VanDerWaalsContact C-N 3.34Å; E519-Y521 VanDerWaalsContact C-N 3.26Å; E519-Y521 PolarHBondContact O-N 3.02Å; E519-C522 PolarHBondContact O-N 3.48Å; E519-C522 VanDerWaalsContact O-N 3.08Å; E519-M523 WeakPolarHBondContact O-CG 3.23Å; E519-M523 PolarHBondContact O-N 3.12Å; E519-Y529 HydrophobicContact CB-CE2 4.5Å; E519-Y529 WeakPolarHBondContact CB-OH 3.41Å; E519-Y529 VanDerWaalsContact CD-OH 3.29Å; E519-Y529 HydrophobicContact CG-CE2 3.65Å; E519-Y529 WeakPolarHBondContact CG-OH 3.43Å; E519-Y529 WeakPolarHBondContact OE1-CE2 3.18Å; E519-Y529 PolarHBondContact OE1-OH 3.17Å; E519-R531 WeakPolarHBondContact OE1-CD 3.23Å; E519-R531 IonicContact OE2-CZ 3.54Å; E519-R531 IonicContact OE2-NH1 3.45Å; E519-R531 PolarHBondContact OE2-NH1 3.3Å; E519-M571 HydrophobicContact CB-CE 4.45Å; E519-M571 HydrophobicContact CG-CE 3.59Å; E519-M571 HydrophobicContact CG-SD 4.49Å
520	D	90.8	Very high	91.7	Very high	50 Å²	50	38.7 Å²	38.7	27%	0.267	19%	0.188	S	C	.	.	H	α-helix	trans	-55.7	-45.2	176.9	-72.3	-19.1	0	0	0	110.3	T477 I481 D516 I517 M523 W524	T477-D520 HydrophobicContact CG2-CB 3.97Å; T477-D520 WeakPolarHBondContact CG2-O 3.48Å; I481-D520 HydrophobicContact CD1-CB 4.34Å; D516-D520 PolarHBondContact O-N 2.92Å; I517-D520 PolarHBondContact O-N 3.48Å; D520-M523 PolarHBondContact O-N 3.1Å; D520-W524 WeakPolarHBondContact O-CB 3.09Å; D520-W524 PolarHBondContact O-N 3.47Å
521	Y	95.3	Very high	91.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-47.3	173.4	164.4	-98.2	0	0	0	113.3	V482 M488 D492 L495 I517 E519 M523 W524 R525 Y527	V482-Y521 HydrophobicContact CG2-CD2 3.84Å; V482-Y521 HydrophobicContact CG2-CE2 3.77Å; M488-Y521 HydrophobicContact CE-CD1 3.95Å; M488-Y521 HydrophobicContact CE-CD2 3.61Å; M488-Y521 HydrophobicContact CE-CE2 4.22Å; M488-Y521 HydrophobicContact CE-CG 3.46Å; M488-Y521 VanDerWaalsContact CE-CG 3.46Å; D492-Y521 WeakPolarHBondContact CA-OH 3.32Å; D492-Y521 HydrophobicContact CB-CE2 4.25Å; D492-Y521 VanDerWaalsContact OD1-CE2 3.31Å; D492-Y521 WeakPolarHBondContact OD1-CE2 3.39Å; D492-Y521 PolarHBondContact OD1-OH 3.24Å; L495-Y521 HydrophobicContact CD1-CE1 3.66Å; I517-Y521 WeakPolarHBondContact O-CB 2.88Å; I517-Y521 PolarHBondContact O-N 3.3Å; E519-Y521 VanDerWaalsContact C-N 3.26Å; E519-Y521 PolarHBondContact O-N 3.02Å; Y521-M523 VanDerWaalsContact C-N 3.34Å; Y521-M523 PolarHBondContact O-N 2.83Å; Y521-W524 HydrophobicContact CD2-CE3 4.11Å; Y521-W524 HydrophobicContact CD2-CZ3 4.2Å; Y521-W524 HydrophobicContact CE2-CZ3 4.31Å; Y521-W524 PolarHBondContact O-N 2.93Å; Y521-R525 HydrophobicContact CD2-CG 4.09Å; Y521-R525 HydrophobicContact CE2-CG 3.5Å; Y521-R525 VanDerWaalsContact CE2-CG 3.5Å; Y521-R525 PolarHBondContact O-N 3.42Å; Y521-Y527 HydrophobicContact CE1-CD2 4.23Å; Y521-Y527 HydrophobicContact CE1-CE2 4.24Å
522	C	94.2	Very high	91.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-38.4	179.8	-70.6	0	0	0	0	111.7	L518 E519 G526 Y527 Y529	L518-C522 WeakPolarHBondContact O-CB 3.15Å; L518-C522 PolarHBondContact O-N 3.24Å; L518-C522 PolarHBondContact O-SG 3.18Å; E519-C522 PolarHBondContact O-N 3.48Å; E519-C522 VanDerWaalsContact O-N 3.08Å; C522-G526 PolarHBondContact O-N 2.92Å; C522-Y527 PolarHBondContact O-N 3.44Å; C522-Y529 HydrophobicContact CB-CD1 3.46Å; C522-Y529 VanDerWaalsContact CB-CD1 3.46Å; C522-Y529 HydrophobicContact CB-CE1 3.81Å; C522-Y529 HydrophobicContact CB-CG 4.33Å
523	M	90.7	Very high	91	Very high	121 Å²	121	39.6 Å²	39.6	60%	0.596	19%	0.19	S	C	*	.	H	α-helix	trans	-61.7	-45.8	174.6	-70.7	-171.9	-168.2	0	0	111	E519 D520 Y521 G526 Y529	E519-M523 WeakPolarHBondContact O-CG 3.23Å; E519-M523 PolarHBondContact O-N 3.12Å; D520-M523 PolarHBondContact O-N 3.1Å; Y521-M523 VanDerWaalsContact C-N 3.34Å; Y521-M523 PolarHBondContact O-N 2.83Å; M523-G526 PolarHBondContact O-N 3.16Å; M523-Y529 WeakPolarHBondContact CE-OH 3.28Å; M523-Y529 HydrophobicContact CG-CE1 4.25Å
524	W	92.8	Very high	90.1	Very high	78 Å²	78	37.5 Å²	37.5	30%	0.295	20%	0.198	S	C	.	.	H	α-helix	trans	-66.8	-44.6	179.3	168.1	65.6	0	0	0	113.5	T477 E479 V482 D520 Y521 G526	T477-W524 HydrophobicContact CG2-CB 3.66Å; T477-W524 HydrophobicContact CG2-CG 4.42Å; E479-W524 HydrophobicContact CB-CH2 4.33Å; E479-W524 HydrophobicContact CB-CZ2 4.38Å; E479-W524 VanDerWaalsContact OE2-CH2 3.22Å; E479-W524 WeakPolarHBondContact OE2-CH2 3.17Å; V482-W524 HydrophobicContact CG2-CH2 4.34Å; V482-W524 HydrophobicContact CG2-CZ3 3.72Å; D520-W524 WeakPolarHBondContact O-CB 3.09Å; D520-W524 PolarHBondContact O-N 3.47Å; Y521-W524 HydrophobicContact CD2-CE3 4.11Å; Y521-W524 HydrophobicContact CD2-CZ3 4.2Å; Y521-W524 HydrophobicContact CE2-CZ3 4.31Å; Y521-W524 PolarHBondContact O-N 2.93Å; W524-G526 PolarHBondContact O-N 3.39Å
525	R	93.9	Very high	88.4	Confident	82 Å²	82	41.8 Å²	41.8	31%	0.309	22%	0.218	S	C	.	.	H	α-helix	trans	-74	-7.6	174.6	-72.5	-59.4	-160.7	-152	-3	113.8	E479 D492 Y521 Y527	E479-R525 IonicContact OE1-NH2 2.79Å; E479-R525 IonicContact OE2-NH1 3.21Å; E479-R525 IonicContact OE2-NH2 3.71Å; D492-R525 IonicContact OD1-CZ 2.97Å; D492-R525 VanDerWaalsContact OD1-CZ 3.26Å; D492-R525 IonicContact OD1-NE 2.61Å; D492-R525 PolarHBondContact OD1-NE 2.8Å; D492-R525 IonicContact OD1-NH2 3.53Å; D492-R525 PolarHBondContact OD1-NH2 3.05Å; D492-R525 IonicContact OD2-CZ 2.63Å; D492-R525 IonicContact OD2-NE 2.66Å; D492-R525 IonicContact OD2-NH2 3.09Å; D492-R525 PolarHBondContact OD2-NH2 3.25Å; Y521-R525 HydrophobicContact CD2-CG 4.09Å; Y521-R525 HydrophobicContact CE2-CG 3.5Å; Y521-R525 VanDerWaalsContact CE2-CG 3.5Å; Y521-R525 PolarHBondContact O-N 3.42Å; R525-Y527 HydrophobicContact CB-CD2 3.95Å; R525-Y527 HydrophobicContact CB-CE2 3.87Å; R525-Y527 HydrophobicContact CB-CG 4.39Å; R525-Y527 HydrophobicContact CG-CE2 4.37Å
526	G	92.1	Very high	86.5	Confident	51 Å²	51	44.5 Å²	44.5	53%	0.526	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	34.2	-178.2	0	0	0	0	0	113.7	C522 M523 W524	C522-G526 PolarHBondContact O-N 2.92Å; M523-G526 PolarHBondContact O-N 3.16Å; W524-G526 PolarHBondContact O-N 3.39Å
527	Y	95.4	Very high	84	Confident	23 Å²	23	47.3 Å²	47.3	9%	0.09	26%	0.256	C	S	.	.			trans	-88.3	123.3	171.9	-63.9	-32.2	0	0	0	110.5	L495 K499 Y521 C522 R525 Y529 F568 I569	L495-Y527 HydrophobicContact CB-CE2 3.94Å; L495-Y527 HydrophobicContact CD1-CD2 4.47Å; L495-Y527 HydrophobicContact CD1-CE2 4.24Å; K499-Y527 HydrophobicContact CD-CD1 3.75Å; K499-Y527 HydrophobicContact CD-CE1 3.41Å; K499-Y527 VanDerWaalsContact CD-CE1 3.41Å; Y521-Y527 HydrophobicContact CE1-CD2 4.23Å; Y521-Y527 HydrophobicContact CE1-CE2 4.24Å; C522-Y527 PolarHBondContact O-N 3.44Å; R525-Y527 HydrophobicContact CB-CD2 3.95Å; R525-Y527 HydrophobicContact CB-CE2 3.87Å; R525-Y527 HydrophobicContact CB-CG 4.39Å; R525-Y527 HydrophobicContact CG-CE2 4.37Å; Y527-Y529 WeakPolarHBondContact O-CD1 2.87Å; Y527-F568 HydrophobicContact CD1-CD1 4.03Å; Y527-F568 HydrophobicContact CD1-CE1 4.33Å; Y527-F568 HydrophobicContact CE1-CE1 4.43Å; Y527-F568 HydrophobicContact CG-CD1 4.06Å; Y527-F568 HydrophobicContact CG-CE1 4.39Å; Y527-I569 HydrophobicContact CD2-CD1 3.83Å; Y527-I569 HydrophobicContact CG-CD1 4.13Å
528	E	92.8	Very high	81.3	Confident	96 Å²	96	52.7 Å²	52.7	45%	0.449	28%	0.281	S	S	.	.			trans	-73.6	131.8	170.1	-72.9	-172.3	-127.2	0	0	110.7	S566 K567 F568 I569	E528-S566 WeakPolarHBondContact OE1-CB 3.33Å; E528-S566 WeakPolarHBondContact OE2-CB 3.36Å; E528-S566 PolarHBondContact OE2-OG 3.13Å; E528-K567 HydrophobicContact CB-CD 4.2Å; E528-F568 PolarHBondContact O-N 3.31Å; E528-I569 PolarHBondContact O-N 2.68Å
529	Y	93.6	Very high	78.3	Confident	37 Å²	37	59.3 Å²	59.3	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	167.5	-175.7	68.4	-93.8	0	0	0	113.5	E519 C522 M523 Y527 R531 K567 I569 M571	E519-Y529 HydrophobicContact CB-CE2 4.5Å; E519-Y529 WeakPolarHBondContact CB-OH 3.41Å; E519-Y529 VanDerWaalsContact CD-OH 3.29Å; E519-Y529 HydrophobicContact CG-CE2 3.65Å; E519-Y529 WeakPolarHBondContact CG-OH 3.43Å; E519-Y529 WeakPolarHBondContact OE1-CE2 3.18Å; E519-Y529 PolarHBondContact OE1-OH 3.17Å; C522-Y529 HydrophobicContact CB-CD1 3.46Å; C522-Y529 VanDerWaalsContact CB-CD1 3.46Å; C522-Y529 HydrophobicContact CB-CE1 3.81Å; C522-Y529 HydrophobicContact CB-CG 4.33Å; M523-Y529 WeakPolarHBondContact CE-OH 3.28Å; M523-Y529 HydrophobicContact CG-CE1 4.25Å; Y527-Y529 WeakPolarHBondContact O-CD1 2.87Å; Y529-R531 HydrophobicContact CE2-CB 4.42Å; Y529-K567 PolarHBondContact O-NZ 2.9Å; Y529-I569 CarbonylContact C-O 3.55Å; Y529-I569 WeakPolarHBondContact CA-O 3.41Å; Y529-I569 WeakPolarHBondContact CB-O 3.49Å; Y529-M571 HydrophobicContact CD1-CE 4.14Å; Y529-M571 HydrophobicContact CD2-CE 3.13Å; Y529-M571 HydrophobicContact CE1-CE 4.41Å; Y529-M571 HydrophobicContact CE2-CE 3.49Å; Y529-M571 VanDerWaalsContact CE2-CE 3.49Å; Y529-M571 HydrophobicContact CG-CE 3.5Å
530	C	90.7	Very high	75.4	Confident	10 Å²	10	66.2 Å²	66.2	7%	0.068	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148	164.2	-69.2	0	0	0	0	108.8	A556 I569 F570 M571	C530-A556 HydrophobicContact CB-CB 4.32Å; C530-I569 PolarHBondContact N-O 2.84Å; C530-F570 HydrophobicContact CB-CD1 3.95Å; C530-F570 HydrophobicContact CB-CD2 3.84Å; C530-F570 HydrophobicContact CB-CE1 3.96Å; C530-F570 HydrophobicContact CB-CE2 3.86Å; C530-F570 HydrophobicContact CB-CG 3.88Å; C530-F570 HydrophobicContact CB-CZ 3.92Å; C530-F570 CarbonylContact O-C 3.58Å; C530-F570 WeakPolarHBondContact O-CA 3.29Å; C530-M571 PolarHBondContact O-N 3.4Å
531	R	87.3	Confident	72.7	Confident	52 Å²	52	72.6 Å²	72.6	20%	0.196	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.4	177.3	176.7	178.4	169.3	158	0.7	110.2	T512 D516 E519 Y529 D533 M571	T512-R531 PolarHBondContact O-NH2 3.28Å; D516-R531 IonicContact OD1-CZ 3.47Å; D516-R531 IonicContact OD1-NH1 3.98Å; D516-R531 PolarHBondContact OD1-NH1 3.29Å; D516-R531 IonicContact OD1-NH2 3.74Å; D516-R531 PolarHBondContact OD1-NH2 3.11Å; E519-R531 WeakPolarHBondContact OE1-CD 3.23Å; E519-R531 IonicContact OE2-CZ 3.54Å; E519-R531 IonicContact OE2-NH1 3.45Å; E519-R531 PolarHBondContact OE2-NH1 3.3Å; Y529-R531 HydrophobicContact CE2-CB 4.42Å; R531-D533 IonicContact CZ-OD2 2.99Å; R531-D533 VanDerWaalsContact CZ-OD2 3.25Å; R531-D533 IonicContact NE-OD2 3.27Å; R531-D533 PolarHBondContact NE-OD2 3.07Å; R531-D533 IonicContact NH2-OD2 3.55Å; R531-D533 PolarHBondContact NH2-OD2 3.21Å; R531-M571 CarbonylContact C-O 3.55Å; R531-M571 VanDerWaalsContact CA-O 3.31Å; R531-M571 WeakPolarHBondContact CA-O 3.32Å
532	L	82.3	Confident	69.9	Low	8 Å²	8	81.5 Å²	81.5	4%	0.042	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	105.3	172.8	-177.2	71.5	0	0	0	110.6	Q553 F570 M571 L572 S573 A576 L579 I581	L532-Q553 HydrophobicContact CD1-CB 4.38Å; L532-Q553 HydrophobicContact CD1-CG 3.81Å; L532-Q553 HydrophobicContact CD2-CG 4.25Å; L532-Q553 VanDerWaalsContact CD2-NE2 3.27Å; L532-F570 HydrophobicContact CB-CE1 3.6Å; L532-F570 HydrophobicContact CB-CZ 4.17Å; L532-M571 PolarHBondContact N-O 3.03Å; L532-L572 HydrophobicContact CB-CD2 4.38Å; L532-L572 HydrophobicContact CD2-CD2 4.15Å; L532-L572 VanDerWaalsContact O-CA 3.24Å; L532-L572 WeakPolarHBondContact O-CA 3.44Å; L532-S573 PolarHBondContact O-N 3.31Å; L532-S573 VanDerWaalsContact O-N 3.07Å; L532-A576 HydrophobicContact CD2-CB 4.46Å; L532-A576 HydrophobicContact CG-CB 4.15Å; L532-A576 WeakPolarHBondContact O-CB 3.46Å; L532-L579 HydrophobicContact CD2-CD1 4.18Å; L532-I581 HydrophobicContact CD2-CD1 3.79Å
533	D	76.9	Confident	67.3	Low	18 Å²	18	88.3 Å²	88.3	10%	0.096	44%	0.442	C	S	.	.	S	Bend	trans	-121	-5.7	-178.4	61.9	3.9	0	0	0	114.3	T512 L515 R531 Q535 S573	T512-D533 HydrophobicContact CG2-CB 3.85Å; L515-D533 HydrophobicContact CD1-CB 3.78Å; R531-D533 IonicContact CZ-OD2 2.99Å; R531-D533 VanDerWaalsContact CZ-OD2 3.25Å; R531-D533 IonicContact NE-OD2 3.27Å; R531-D533 PolarHBondContact NE-OD2 3.07Å; R531-D533 IonicContact NH2-OD2 3.55Å; R531-D533 PolarHBondContact NH2-OD2 3.21Å; D533-Q535 PolarHBondContact OD1-N 2.96Å; D533-S573 PolarHBondContact O-OG 3.39Å; D533-S573 VanDerWaalsContact O-OG 3.07Å
534	G	67.1	Low	65	Low	52 Å²	52	89.7 Å²	89.7	54%	0.536	45%	0.445	S	S	.	.	S	Bend	trans	86.9	6.6	-176.8	0	0	0	0	0	114.3
535	Q	58.7	Low	62.8	Low	90 Å²	90	88.6 Å²	88.6	42%	0.421	44%	0.442	S	S	.	.			trans	-110	12.3	178.7	-61.8	-163.4	-46.8	0	0	113.9	D533 P537	D533-Q535 PolarHBondContact OD1-N 2.96Å; Q535-P537 WeakPolarHBondContact O-CD 3.47Å; Q535-P537 VanDerWaalsContact O-N 3.1Å
536	T	51.5	Low	60.5	Low	58 Å²	58	87.6 Å²	87.6	36%	0.356	44%	0.443	S	S	.	.			trans	-48.7	119.6	179.3	-44.7	0	0	0	0	110.1	H538	T536-H538 PolarHBondContact O-N 2.81Å
537	P	37.9	Very low	58.4	Low	108 Å²	108	91.6 Å²	91.6	70%	0.701	45%	0.448	S	S	*	.			trans	-58.9	132	-166.9	-26	32.9	0	0	0	114.5	Q535 E539	Q535-P537 WeakPolarHBondContact O-CD 3.47Å; Q535-P537 VanDerWaalsContact O-N 3.1Å; P537-E539 PolarHBondContact O-N 3.43Å
538	H	35.2	Very low	56.1	Low	129 Å²	129	94.6 Å²	94.6	60%	0.597	47%	0.468	S	S	*	.			trans	-79.9	83.2	167.6	-54.3	-69.8	0	0	0	110	T536 E540 F545 E549	T536-H538 PolarHBondContact O-N 2.81Å; H538-E540 VanDerWaalsContact C-N 3.32Å; H538-E540 PolarHBondContact O-N 2.7Å; H538-F545 HydrophobicContact CB-CD1 4.32Å; H538-F545 HydrophobicContact CB-CE1 4.39Å; H538-E549 IonicContact CE1-OE1 2.75Å; H538-E549 IonicContact CE1-OE2 2.66Å; H538-E549 PolarHBondContact CE1-OE2 2.69Å; H538-E549 VanDerWaalsContact CE1-OE2 3.27Å; H538-E549 IonicContact ND1-OE2 3.96Å
539	E	33.5	Very low	54.1	Low	139 Å²	139	92.5 Å²	92.5	65%	0.65	46%	0.458	S	S	*	.			trans	-74.2	74.5	174.2	-73.2	-160.9	161.9	0	0	114.1	P537 R541 F545	P537-E539 PolarHBondContact O-N 3.43Å; E539-R541 PolarHBondContact O-N 2.66Å; E539-F545 VanDerWaalsContact C-CE1 3.49Å; E539-F545 HydrophobicContact CB-CZ 4.44Å; E539-F545 VanDerWaalsContact N-CE1 3.33Å; E539-F545 WeakPolarHBondContact O-CE2 3.36Å; E539-F545 WeakPolarHBondContact O-CZ 3.48Å
540	E	31.1	Very low	52.4	Low	188 Å²	188	92.4 Å²	92.4	88%	0.879	46%	0.459	S	S	*	.			trans	1.9	84.8	163.4	-67.5	177.1	176	0	0	117	H538	H538-E540 VanDerWaalsContact C-N 3.32Å; H538-E540 PolarHBondContact O-N 2.7Å
541	R	33.6	Very low	50.8	Low	185 Å²	185	96 Å²	96	70%	0.698	48%	0.477	S	S	*	.			trans	-147.2	91.4	159.9	-72.6	-164.7	178.2	90.2	-0.5	110.7	E539 F545	E539-R541 PolarHBondContact O-N 2.66Å; R541-F545 VanDerWaalsContact C-CE2 3.42Å; R541-F545 HydrophobicContact CB-CE2 3.8Å; R541-F545 WeakPolarHBondContact O-CD2 3.42Å; R541-F545 WeakPolarHBondContact O-CE2 3.4Å
542	E	35.8	Very low	49.8	Very low	187 Å²	187	95.1 Å²	95.1	87%	0.874	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	7.7	123.3	161.7	-64.8	170.4	172.9	0	0	117.6	K544	E542-K544 PolarHBondContact O-N 2.63Å
543	D	41.4	Very low	49.1	Very low	142 Å²	142	96.2 Å²	96.2	76%	0.759	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	-24.5	168.4	-64.4	-10.1	0	0	0	120.8
544	K	41.7	Very low	48.7	Very low	150 Å²	150	99.2 Å²	99.2	65%	0.652	50%	0.499	S	S	*	.			trans	-93.4	3.8	177.7	-80	179.2	176.9	177.7	0	115.5	E542 L546 E547 V548	E542-K544 PolarHBondContact O-N 2.63Å; K544-L546 PolarHBondContact O-N 3.1Å; K544-E547 PolarHBondContact O-N 2.96Å; K544-V548 HydrophobicContact CB-CG2 4.46Å; K544-V548 VanDerWaalsContact O-CG2 3.29Å; K544-V548 WeakPolarHBondContact O-CG2 3.36Å; K544-V548 PolarHBondContact O-N 3.24Å; K544-V548 VanDerWaalsContact O-N 3.11Å
545	F	46.4	Very low	49	Very low	55 Å²	55	102.2 Å²	102.2	24%	0.241	50%	0.499	C	S	.	.	H	α-helix	trans	-66.2	-42.4	-163.7	-102.8	-89.9	0	0	0	116.1	H538 E539 R541 E547 V548 E549	H538-F545 HydrophobicContact CB-CD1 4.32Å; H538-F545 HydrophobicContact CB-CE1 4.39Å; E539-F545 VanDerWaalsContact C-CE1 3.49Å; E539-F545 HydrophobicContact CB-CZ 4.44Å; E539-F545 VanDerWaalsContact N-CE1 3.33Å; E539-F545 WeakPolarHBondContact O-CE2 3.36Å; E539-F545 WeakPolarHBondContact O-CZ 3.48Å; R541-F545 VanDerWaalsContact C-CE2 3.42Å; R541-F545 HydrophobicContact CB-CE2 3.8Å; R541-F545 WeakPolarHBondContact O-CD2 3.42Å; R541-F545 WeakPolarHBondContact O-CE2 3.4Å; F545-E547 VanDerWaalsContact C-N 3.34Å; F545-V548 PolarHBondContact O-N 2.91Å; F545-E549 PolarHBondContact O-N 3.04Å; F545-E549 VanDerWaalsContact O-N 3.16Å
546	L	45.5	Very low	50	Low	61 Å²	61	99 Å²	99	32%	0.319	49%	0.488	S	S	.	.	H	α-helix	trans	-65.6	-44.3	179.2	-117.9	97	0	0	0	110.1	V264 K544 V548 E549 F550	V264-L546 HydrophobicContact CB-CD2 4.1Å; V264-L546 HydrophobicContact CG1-CD2 3.39Å; K544-L546 PolarHBondContact O-N 3.1Å; L546-V548 VanDerWaalsContact C-N 3.27Å; L546-V548 PolarHBondContact O-N 3.42Å; L546-E549 PolarHBondContact O-N 3.15Å; L546-F550 HydrophobicContact CB-CD2 4.46Å; L546-F550 HydrophobicContact CD2-CD2 4.12Å; L546-F550 HydrophobicContact CD2-CE2 3.59Å; L546-F550 HydrophobicContact CG-CD2 4.23Å; L546-F550 HydrophobicContact CG-CE2 3.94Å; L546-F550 WeakPolarHBondContact O-CB 3.26Å; L546-F550 WeakPolarHBondContact O-CD2 3.46Å; L546-F550 PolarHBondContact O-N 3.27Å; L546-F550 VanDerWaalsContact O-N 3.13Å
547	E	48.4	Very low	51.5	Low	136 Å²	136	97.6 Å²	97.6	64%	0.636	48%	0.478	S	S	*	.	H	α-helix	trans	-59.4	-39	177.8	-71	-167.8	151.1	0	0	111.6	K544 F545 L551	K544-E547 PolarHBondContact O-N 2.96Å; F545-E547 VanDerWaalsContact C-N 3.34Å; E547-L551 WeakPolarHBondContact O-CA 3.49Å; E547-L551 WeakPolarHBondContact O-CB 3.44Å; E547-L551 WeakPolarHBondContact O-CD1 3.38Å; E547-L551 PolarHBondContact O-N 2.83Å
548	V	47.7	Very low	53.6	Low	85 Å²	85	97.8 Å²	97.8	52%	0.515	47%	0.47	S	S	.	.	H	α-helix	trans	-70	-44.8	-178.6	177.9	0	0	0	0	113.1	K544 F545 L546 L551 G552	K544-V548 HydrophobicContact CB-CG2 4.46Å; K544-V548 VanDerWaalsContact O-CG2 3.29Å; K544-V548 WeakPolarHBondContact O-CG2 3.36Å; K544-V548 PolarHBondContact O-N 3.24Å; K544-V548 VanDerWaalsContact O-N 3.11Å; F545-V548 PolarHBondContact O-N 2.91Å; L546-V548 VanDerWaalsContact C-N 3.27Å; L546-V548 PolarHBondContact O-N 3.42Å; V548-L551 WeakPolarHBondContact O-CB 3.44Å; V548-L551 PolarHBondContact O-N 3.38Å; V548-G552 PolarHBondContact O-N 3.16Å
549	E	49.2	Very low	56	Low	53 Å²	53	93.5 Å²	93.5	25%	0.248	46%	0.457	C	S	.	.	H	α-helix	trans	-64.5	-43.7	178.1	-164.2	-171.8	-179.1	0	0	110.8	H538 F545 L546 L551 G552 Q553	H538-E549 IonicContact CE1-OE1 2.75Å; H538-E549 IonicContact CE1-OE2 2.66Å; H538-E549 PolarHBondContact CE1-OE2 2.69Å; H538-E549 VanDerWaalsContact CE1-OE2 3.27Å; H538-E549 IonicContact ND1-OE2 3.96Å; F545-E549 PolarHBondContact O-N 3.04Å; F545-E549 VanDerWaalsContact O-N 3.16Å; L546-E549 PolarHBondContact O-N 3.15Å; E549-L551 VanDerWaalsContact C-N 3.34Å; E549-G552 PolarHBondContact O-N 2.95Å; E549-Q553 PolarHBondContact O-N 2.88Å; E549-Q553 VanDerWaalsContact O-N 3.12Å
550	F	58.1	Low	58.7	Low	34 Å²	34	86.9 Å²	86.9	15%	0.149	43%	0.426	C	S	.	.	H	α-helix	trans	-68.4	-31.7	174.4	-75.2	-66.7	0	0	0	112.3	L546 R554	L546-F550 HydrophobicContact CB-CD2 4.46Å; L546-F550 HydrophobicContact CD2-CD2 4.12Å; L546-F550 HydrophobicContact CD2-CE2 3.59Å; L546-F550 HydrophobicContact CG-CD2 4.23Å; L546-F550 HydrophobicContact CG-CE2 3.94Å; L546-F550 WeakPolarHBondContact O-CB 3.26Å; L546-F550 WeakPolarHBondContact O-CD2 3.46Å; L546-F550 PolarHBondContact O-N 3.27Å; L546-F550 VanDerWaalsContact O-N 3.13Å; F550-R554 VanDerWaalsContact O-CB 3.3Å; F550-R554 WeakPolarHBondContact O-CB 3.35Å; F550-R554 VanDerWaalsContact O-CG 3.26Å; F550-R554 WeakPolarHBondContact O-CG 3.13Å; F550-R554 PolarHBondContact O-N 3.31Å
551	L	58.2	Low	61.5	Low	85 Å²	85	80.4 Å²	80.4	45%	0.445	40%	0.397	S	S	.	.	H	α-helix	trans	-64.9	-52.2	172.7	-119	88.9	0	0	0	110.5	E547 V548 E549 Q553 R554 E555	E547-L551 WeakPolarHBondContact O-CA 3.49Å; E547-L551 WeakPolarHBondContact O-CB 3.44Å; E547-L551 WeakPolarHBondContact O-CD1 3.38Å; E547-L551 PolarHBondContact O-N 2.83Å; V548-L551 WeakPolarHBondContact O-CB 3.44Å; V548-L551 PolarHBondContact O-N 3.38Å; E549-L551 VanDerWaalsContact C-N 3.34Å; L551-Q553 VanDerWaalsContact C-N 3.28Å; L551-Q553 PolarHBondContact O-N 2.85Å; L551-R554 CarbonylContact O-C 3.58Å; L551-R554 WeakPolarHBondContact O-CA 3.3Å; L551-R554 WeakPolarHBondContact O-CB 3.46Å; L551-R554 PolarHBondContact O-N 3.36Å; L551-E555 WeakPolarHBondContact O-CB 3.41Å; L551-E555 WeakPolarHBondContact O-CG 3.34Å; L551-E555 PolarHBondContact O-N 2.89Å
552	G	65.6	Low	64.1	Low	34 Å²	34	73.3 Å²	73.3	35%	0.351	38%	0.378	S	S	.	.	H	α-helix	trans	-60.9	-39.3	-178.2	0	0	0	0	0	112.1	V548 E549 A556	V548-G552 PolarHBondContact O-N 3.16Å; E549-G552 PolarHBondContact O-N 2.95Å; G552-A556 WeakPolarHBondContact O-CB 3.32Å; G552-A556 PolarHBondContact O-N 2.88Å
553	Q	68.4	Low	66.4	Low	32 Å²	32	70.1 Å²	70.1	15%	0.15	37%	0.374	C	S	.	.	H	α-helix	trans	-63.9	-43.9	172.2	-176.4	176.7	33.1	0	0	112.1	L532 E549 L551 A556 I557	L532-Q553 HydrophobicContact CD1-CB 4.38Å; L532-Q553 HydrophobicContact CD1-CG 3.81Å; L532-Q553 HydrophobicContact CD2-CG 4.25Å; L532-Q553 VanDerWaalsContact CD2-NE2 3.27Å; E549-Q553 PolarHBondContact O-N 2.88Å; E549-Q553 VanDerWaalsContact O-N 3.12Å; L551-Q553 VanDerWaalsContact C-N 3.28Å; L551-Q553 PolarHBondContact O-N 2.85Å; Q553-A556 PolarHBondContact O-N 3.01Å; Q553-I557 HydrophobicContact CG-CD1 3.87Å; Q553-I557 WeakPolarHBondContact O-CD1 3.37Å; Q553-I557 VanDerWaalsContact O-CG1 3.24Å; Q553-I557 WeakPolarHBondContact O-CG1 3.45Å; Q553-I557 PolarHBondContact O-N 3.45Å; Q553-I557 VanDerWaalsContact O-N 3.08Å
554	R	67.1	Low	68.5	Low	80 Å²	80	71.1 Å²	71.1	30%	0.302	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-50.4	176.1	-86.7	172.6	143.6	-122.1	-2.7	111.8	H245 N249 F550 L551 A556 I557 E558	H245-R554 PolarHBondContact CD2-NE 3.02Å; H245-R554 PolarHBondContact CE1-NE 3.26Å; H245-R554 PolarHBondContact CE1-NH2 2.98Å; H245-R554 PolarHBondContact NE2-NE 3.23Å; H245-R554 PolarHBondContact NE2-NH2 2.88Å; N249-R554 PolarHBondContact OD1-NH2 2.78Å; F550-R554 VanDerWaalsContact O-CB 3.3Å; F550-R554 WeakPolarHBondContact O-CB 3.35Å; F550-R554 VanDerWaalsContact O-CG 3.26Å; F550-R554 WeakPolarHBondContact O-CG 3.13Å; F550-R554 PolarHBondContact O-N 3.31Å; L551-R554 CarbonylContact O-C 3.58Å; L551-R554 WeakPolarHBondContact O-CA 3.3Å; L551-R554 WeakPolarHBondContact O-CB 3.46Å; L551-R554 PolarHBondContact O-N 3.36Å; R554-A556 VanDerWaalsContact C-N 3.27Å; R554-A556 PolarHBondContact O-N 3.08Å; R554-I557 CarbonylContact O-C 3.57Å; R554-I557 PolarHBondContact O-N 3.17Å; R554-E558 WeakPolarHBondContact O-CB 3.35Å; R554-E558 WeakPolarHBondContact O-CG 3.35Å; R554-E558 PolarHBondContact O-N 3.3Å
555	E	73.4	Confident	70.8	Confident	115 Å²	115	65.2 Å²	65.2	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-57.6	-42.2	179.8	-74.1	176	178.8	0	0	110.7	L551 A559	L551-E555 WeakPolarHBondContact O-CB 3.41Å; L551-E555 WeakPolarHBondContact O-CG 3.34Å; L551-E555 PolarHBondContact O-N 2.89Å; E555-A559 WeakPolarHBondContact O-CA 3.48Å; E555-A559 WeakPolarHBondContact O-CB 3.07Å; E555-A559 PolarHBondContact O-N 2.98Å
556	A	81.3	Confident	72.9	Confident	23 Å²	23	66 Å²	66	19%	0.19	37%	0.369	C	S	.	.	H	α-helix	trans	-63.5	-43.2	174.5	0	0	0	0	0	112.7	C530 G552 Q553 R554 F560 F570	C530-A556 HydrophobicContact CB-CB 4.32Å; G552-A556 WeakPolarHBondContact O-CB 3.32Å; G552-A556 PolarHBondContact O-N 2.88Å; Q553-A556 PolarHBondContact O-N 3.01Å; R554-A556 VanDerWaalsContact C-N 3.27Å; R554-A556 PolarHBondContact O-N 3.08Å; A556-F560 VanDerWaalsContact O-CB 3.29Å; A556-F560 WeakPolarHBondContact O-CB 3.31Å; A556-F560 PolarHBondContact O-N 3.25Å; A556-F570 HydrophobicContact CB-CZ 4.25Å
557	I	81.8	Confident	75.1	Confident	28 Å²	28	65.8 Å²	65.8	14%	0.144	37%	0.365	C	S	.	.	H	α-helix	trans	-68.9	-42.4	179.3	-67.6	166.5	0	0	0	111.4	Q553 R554 N561 F570 I581 L583	Q553-I557 HydrophobicContact CG-CD1 3.87Å; Q553-I557 WeakPolarHBondContact O-CD1 3.37Å; Q553-I557 VanDerWaalsContact O-CG1 3.24Å; Q553-I557 WeakPolarHBondContact O-CG1 3.45Å; Q553-I557 PolarHBondContact O-N 3.45Å; Q553-I557 VanDerWaalsContact O-N 3.08Å; R554-I557 CarbonylContact O-C 3.57Å; R554-I557 PolarHBondContact O-N 3.17Å; I557-N561 WeakPolarHBondContact CG2-ND2 3.48Å; I557-N561 VanDerWaalsContact O-CB 3.28Å; I557-N561 WeakPolarHBondContact O-CB 3.32Å; I557-N561 PolarHBondContact O-N 3.46Å; I557-N561 PolarHBondContact O-ND2 3.33Å; I557-N561 VanDerWaalsContact O-ND2 3.07Å; I557-F570 HydrophobicContact CG1-CE2 4.26Å; I557-F570 HydrophobicContact CG1-CZ 4.35Å; I557-I581 HydrophobicContact CD1-CB 4.04Å; I557-I581 HydrophobicContact CD1-CG2 3.7Å; I557-L583 HydrophobicContact CG1-CD2 4.46Å; I557-L583 HydrophobicContact CG2-CD2 4.37Å
558	E	82.7	Confident	77.3	Confident	113 Å²	113	60.1 Å²	60.1	53%	0.528	34%	0.339	S	S	.	.	H	α-helix	trans	-68.4	-45.9	178.1	-72.7	177.6	-172.9	0	0	110.6	R554 F560 N561 A562	R554-E558 WeakPolarHBondContact O-CB 3.35Å; R554-E558 WeakPolarHBondContact O-CG 3.35Å; R554-E558 PolarHBondContact O-N 3.3Å; E558-F560 VanDerWaalsContact C-N 3.31Å; E558-F560 PolarHBondContact O-N 3.31Å; E558-N561 CarbonylContact O-C 3.48Å; E558-N561 PolarHBondContact O-N 2.77Å; E558-A562 WeakPolarHBondContact O-CB 3.29Å; E558-A562 PolarHBondContact O-N 3.47Å
559	A	85.4	Confident	79.7	Confident	39 Å²	39	56.1 Å²	56.1	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-57.9	-44.6	174.5	0	0	0	0	0	111	E555 A562 S565	E555-A559 WeakPolarHBondContact O-CA 3.48Å; E555-A559 WeakPolarHBondContact O-CB 3.07Å; E555-A559 PolarHBondContact O-N 2.98Å; A559-A562 WeakPolarHBondContact O-CB 3.4Å; A559-A562 PolarHBondContact O-N 3.46Å; A559-S565 WeakPolarHBondContact O-CB 3.49Å; A559-S565 PolarHBondContact O-OG 2.98Å
560	F	90.1	Very high	81.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-38.9	177.5	-175.6	-101.2	0	0	0	113.1	R504 L506 A556 E558 K567 F570 L583 S585 A586	R504-F560 HydrophobicContact CB-CE2 4.33Å; R504-F560 HydrophobicContact CB-CZ 3.9Å; R504-F560 PolarHBondContact NH1-O 2.88Å; L506-F560 HydrophobicContact CD2-CE1 3.81Å; L506-F560 HydrophobicContact CD2-CZ 3.72Å; A556-F560 VanDerWaalsContact O-CB 3.29Å; A556-F560 WeakPolarHBondContact O-CB 3.31Å; A556-F560 PolarHBondContact O-N 3.25Å; E558-F560 VanDerWaalsContact C-N 3.31Å; E558-F560 PolarHBondContact O-N 3.31Å; F560-K567 HydrophobicContact CD2-CB 3.98Å; F560-F570 HydrophobicContact CB-CD2 3.73Å; F560-F570 HydrophobicContact CB-CE2 4.04Å; F560-F570 AromaticContact CD1-CD2 3.85Å; F560-F570 HydrophobicContact CD1-CD2 3.85Å; F560-F570 HydrophobicContact CD2-CB 4Å; F560-F570 AromaticContact CD2-CD2 3.89Å; F560-F570 HydrophobicContact CD2-CD2 3.89Å; F560-F570 HydrophobicContact CD2-CG 4.42Å; F560-F570 HydrophobicContact CE1-CB 4.47Å; F560-F570 HydrophobicContact CE1-CD2 4.4Å; F560-F570 HydrophobicContact CE2-CB 3.8Å; F560-F570 HydrophobicContact CE2-CD2 4.44Å; F560-F570 HydrophobicContact CG-CB 4.42Å; F560-F570 AromaticContact CG-CD2 3.55Å; F560-F570 HydrophobicContact CG-CD2 3.55Å; F560-F570 HydrophobicContact CG-CE2 4.33Å; F560-F570 HydrophobicContact CG-CG 4.46Å; F560-F570 HydrophobicContact CZ-CB 4.03Å; F560-L583 HydrophobicContact CD1-CD2 3.83Å; F560-L583 HydrophobicContact CE1-CD2 4.31Å; F560-S585 WeakPolarHBondContact CD1-OG 3.2Å; F560-S585 WeakPolarHBondContact CE1-OG 3.34Å; F560-A586 HydrophobicContact CE1-CB 3.99Å; F560-A586 HydrophobicContact CZ-CB 3.98Å
561	N	89.1	Confident	83.5	Confident	51 Å²	51	52 Å²	52	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-81.1	-11.9	179.9	-75.3	-43.8	0	0	0	113.9	I557 E558 N582 S585	I557-N561 WeakPolarHBondContact CG2-ND2 3.48Å; I557-N561 VanDerWaalsContact O-CB 3.28Å; I557-N561 WeakPolarHBondContact O-CB 3.32Å; I557-N561 PolarHBondContact O-N 3.46Å; I557-N561 PolarHBondContact O-ND2 3.33Å; I557-N561 VanDerWaalsContact O-ND2 3.07Å; E558-N561 CarbonylContact O-C 3.48Å; E558-N561 PolarHBondContact O-N 2.77Å; N561-N582 PolarHBondContact ND2-O 2.7Å; N561-S585 WeakPolarHBondContact OD1-CB 3.31Å; N561-S585 PolarHBondContact OD1-OG 2.75Å
562	A	88.1	Confident	85.1	Confident	36 Å²	36	48 Å²	48	30%	0.298	27%	0.274	S	S	.	.	S	Bend	trans	-52.9	140.5	-179.3	0	0	0	0	0	111.7	R504 E558 A559 N564 S565	R504-A562 PolarHBondContact NH1-O 3.44Å; R504-A562 PolarHBondContact NH2-O 3.29Å; E558-A562 WeakPolarHBondContact O-CB 3.29Å; E558-A562 PolarHBondContact O-N 3.47Å; A559-A562 WeakPolarHBondContact O-CB 3.4Å; A559-A562 PolarHBondContact O-N 3.46Å; A562-N564 PolarHBondContact O-N 3.38Å; A562-S565 WeakPolarHBondContact O-CB 3.2Å; A562-S565 PolarHBondContact O-N 2.97Å; A562-S565 VanDerWaalsContact O-N 3.11Å
563	P	85.2	Confident	86.1	Confident	121 Å²	121	46.7 Å²	46.7	79%	0.786	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	129.4	168.5	-20.5	31.9	0	0	0	108.9	S565	P563-S565 PolarHBondContact O-N 2.82Å
564	N	85.8	Confident	86.5	Confident	163 Å²	163	45.2 Å²	45.2	87%	0.872	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	26.5	-178	-51.4	-28	0	0	0	115.6	A562 S566	A562-N564 PolarHBondContact O-N 3.38Å; N564-S566 PolarHBondContact O-N 3.4Å
565	S	90.2	Very high	86.6	Confident	25 Å²	25	47.9 Å²	47.9	18%	0.175	26%	0.263	C	S	.	.			trans	-47.7	135.1	170.4	-174.8	0	0	0	0	112.5	R504 A559 A562 P563 K567	R504-S565 VanDerWaalsContact NH2-N 3.17Å; A559-S565 WeakPolarHBondContact O-CB 3.49Å; A559-S565 PolarHBondContact O-OG 2.98Å; A562-S565 WeakPolarHBondContact O-CB 3.2Å; A562-S565 PolarHBondContact O-N 2.97Å; A562-S565 VanDerWaalsContact O-N 3.11Å; P563-S565 PolarHBondContact O-N 2.82Å; S565-K567 WeakPolarHBondContact OG-CB 3.46Å; S565-K567 PolarHBondContact OG-N 3.2Å; S565-K567 VanDerWaalsContact OG-N 3.1Å
566	S	89.3	Confident	86.3	Confident	72 Å²	72	42.6 Å²	42.6	50%	0.503	24%	0.239	S	C	.	.	S	Bend	trans	-73	-17.1	170.2	60.7	0	0	0	0	112.8	E528 N564 F568	E528-S566 WeakPolarHBondContact OE1-CB 3.33Å; E528-S566 WeakPolarHBondContact OE2-CB 3.36Å; E528-S566 PolarHBondContact OE2-OG 3.13Å; N564-S566 PolarHBondContact O-N 3.4Å; S566-F568 PolarHBondContact O-N 3.28Å
567	K	91.6	Very high	85.1	Confident	57 Å²	57	41.5 Å²	41.5	25%	0.248	23%	0.23	C	C	.	.			trans	-69.7	102.3	-179.6	-58.2	-58.9	-167.1	170.5	0	110	E528 Y529 F560 S565	E528-K567 HydrophobicContact CB-CD 4.2Å; Y529-K567 PolarHBondContact O-NZ 2.9Å; F560-K567 HydrophobicContact CD2-CB 3.98Å; S565-K567 WeakPolarHBondContact OG-CB 3.46Å; S565-K567 PolarHBondContact OG-N 3.2Å; S565-K567 VanDerWaalsContact OG-N 3.1Å
568	F	96	Very high	84.1	Confident	17 Å²	17	41.4 Å²	41.4	8%	0.075	24%	0.236	C	C	.	.			trans	-79	-42.8	-178.9	172.3	-133	0	0	0	111.8	L495 L498 K499 S503 V505 Y527 E528 S566	L495-F568 HydrophobicContact CB-CE1 4.37Å; L495-F568 HydrophobicContact CD2-CE1 4.11Å; L495-F568 HydrophobicContact CD2-CZ 4.18Å; L495-F568 WeakPolarHBondContact O-CZ 3.33Å; L498-F568 HydrophobicContact CB-CE2 4.45Å; L498-F568 HydrophobicContact CB-CZ 4.11Å; K499-F568 HydrophobicContact CB-CD1 4.41Å; K499-F568 HydrophobicContact CB-CE1 3.85Å; K499-F568 HydrophobicContact CB-CE2 3.99Å; K499-F568 HydrophobicContact CB-CZ 3.62Å; K499-F568 HydrophobicContact CD-CD1 4.27Å; K499-F568 HydrophobicContact CD-CE1 4.37Å; K499-F568 HydrophobicContact CG-CD1 4.39Å; K499-F568 HydrophobicContact CG-CE1 4.31Å; K499-F568 HydrophobicContact CG-CE2 4.46Å; K499-F568 HydrophobicContact CG-CZ 4.36Å; S503-F568 WeakPolarHBondContact O-CD2 3.4Å; S503-F568 WeakPolarHBondContact O-CE2 3.39Å; V505-F568 HydrophobicContact CG2-CD2 4.41Å; V505-F568 HydrophobicContact CG2-CE2 3.63Å; V505-F568 HydrophobicContact CG2-CZ 3.79Å; V505-F568 PolarHBondContact N-O 3.07Å; Y527-F568 HydrophobicContact CD1-CD1 4.03Å; Y527-F568 HydrophobicContact CD1-CE1 4.33Å; Y527-F568 HydrophobicContact CE1-CE1 4.43Å; Y527-F568 HydrophobicContact CG-CD1 4.06Å; Y527-F568 HydrophobicContact CG-CE1 4.39Å; E528-F568 PolarHBondContact O-N 3.31Å; S566-F568 PolarHBondContact O-N 3.28Å
569	I	96.5	Very high	83.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.5	-172.8	-61.6	169.8	0	0	0	110.5	L495 V505 I507 Y527 E528 Y529 C530 M571	L495-I569 HydrophobicContact CD1-CD1 3.94Å; L495-I569 HydrophobicContact CD2-CD1 4.08Å; L495-I569 HydrophobicContact CD2-CG1 4.38Å; V505-I569 CarbonylContact O-C 3.58Å; V505-I569 WeakPolarHBondContact O-CA 3.3Å; I507-I569 HydrophobicContact CD1-CD1 4.48Å; I507-I569 HydrophobicContact CD1-CG2 3.66Å; I507-I569 HydrophobicContact CG1-CG2 3.99Å; Y527-I569 HydrophobicContact CD2-CD1 3.83Å; Y527-I569 HydrophobicContact CG-CD1 4.13Å; E528-I569 PolarHBondContact O-N 2.68Å; Y529-I569 CarbonylContact C-O 3.55Å; Y529-I569 WeakPolarHBondContact CA-O 3.41Å; Y529-I569 WeakPolarHBondContact CB-O 3.49Å; C530-I569 PolarHBondContact N-O 2.84Å; I569-M571 HydrophobicContact CG2-CG 3.88Å
570	F	94.5	Very high	82.1	Confident	1 Å²	1	36.4 Å²	36.4	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	112.8	163	-152.7	-43.5	0	0	0	108.6	V505 L506 I507 C530 L532 A556 I557 F560 L572 L583	V505-F570 PolarHBondContact O-N 2.81Å; L506-F570 CarbonylContact C-O 3.58Å; L506-F570 WeakPolarHBondContact CA-O 3.48Å; L506-F570 HydrophobicContact CD2-CB 3.59Å; L506-F570 HydrophobicContact CD2-CG 4.41Å; I507-F570 PolarHBondContact N-O 3.16Å; C530-F570 HydrophobicContact CB-CD1 3.95Å; C530-F570 HydrophobicContact CB-CD2 3.84Å; C530-F570 HydrophobicContact CB-CE1 3.96Å; C530-F570 HydrophobicContact CB-CE2 3.86Å; C530-F570 HydrophobicContact CB-CG 3.88Å; C530-F570 HydrophobicContact CB-CZ 3.92Å; C530-F570 CarbonylContact O-C 3.58Å; C530-F570 WeakPolarHBondContact O-CA 3.29Å; L532-F570 HydrophobicContact CB-CE1 3.6Å; L532-F570 HydrophobicContact CB-CZ 4.17Å; A556-F570 HydrophobicContact CB-CZ 4.25Å; I557-F570 HydrophobicContact CG1-CE2 4.26Å; I557-F570 HydrophobicContact CG1-CZ 4.35Å; F560-F570 HydrophobicContact CB-CD2 3.73Å; F560-F570 HydrophobicContact CB-CE2 4.04Å; F560-F570 AromaticContact CD1-CD2 3.85Å; F560-F570 HydrophobicContact CD1-CD2 3.85Å; F560-F570 HydrophobicContact CD2-CB 4Å; F560-F570 AromaticContact CD2-CD2 3.89Å; F560-F570 HydrophobicContact CD2-CD2 3.89Å; F560-F570 HydrophobicContact CD2-CG 4.42Å; F560-F570 HydrophobicContact CE1-CB 4.47Å; F560-F570 HydrophobicContact CE1-CD2 4.4Å; F560-F570 HydrophobicContact CE2-CB 3.8Å; F560-F570 HydrophobicContact CE2-CD2 4.44Å; F560-F570 HydrophobicContact CG-CB 4.42Å; F560-F570 AromaticContact CG-CD2 3.55Å; F560-F570 HydrophobicContact CG-CD2 3.55Å; F560-F570 HydrophobicContact CG-CE2 4.33Å; F560-F570 HydrophobicContact CG-CG 4.46Å; F560-F570 HydrophobicContact CZ-CB 4.03Å; F570-L572 HydrophobicContact CB-CD1 4.08Å; F570-L572 HydrophobicContact CD1-CD1 3.52Å; F570-L572 HydrophobicContact CD1-CD2 4.27Å; F570-L572 HydrophobicContact CD1-CG 3.68Å; F570-L572 HydrophobicContact CE1-CD1 4.25Å; F570-L572 HydrophobicContact CE1-CD2 4.18Å; F570-L572 HydrophobicContact CE1-CG 3.96Å; F570-L572 HydrophobicContact CG-CD1 3.97Å; F570-L572 WeakPolarHBondContact O-CD1 3.35Å; F570-L583 HydrophobicContact CD2-CD1 4.31Å; F570-L583 HydrophobicContact CD2-CD2 3.75Å; F570-L583 HydrophobicContact CE2-CD2 3.75Å
571	M	93.5	Very high	81.3	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.4	174.5	-73.3	-177.9	-74.3	0	0	110.5	I507 L515 L518 E519 Y529 C530 R531 L532 I569	I507-M571 HydrophobicContact CB-CG 4.35Å; I507-M571 CarbonylContact O-C 3.54Å; I507-M571 WeakPolarHBondContact O-CA 3.5Å; L515-M571 HydrophobicContact CD2-CB 4.2Å; L518-M571 HydrophobicContact CB-SD 3.39Å; L518-M571 WeakPolarHBondContact CB-SD 3.14Å; L518-M571 HydrophobicContact CD1-SD 4.33Å; E519-M571 HydrophobicContact CB-CE 4.45Å; E519-M571 HydrophobicContact CG-CE 3.59Å; E519-M571 HydrophobicContact CG-SD 4.49Å; Y529-M571 HydrophobicContact CD1-CE 4.14Å; Y529-M571 HydrophobicContact CD2-CE 3.13Å; Y529-M571 HydrophobicContact CE1-CE 4.41Å; Y529-M571 HydrophobicContact CE2-CE 3.49Å; Y529-M571 VanDerWaalsContact CE2-CE 3.49Å; Y529-M571 HydrophobicContact CG-CE 3.5Å; C530-M571 PolarHBondContact O-N 3.4Å; R531-M571 CarbonylContact C-O 3.55Å; R531-M571 VanDerWaalsContact CA-O 3.31Å; R531-M571 WeakPolarHBondContact CA-O 3.32Å; L532-M571 PolarHBondContact N-O 3.03Å; I569-M571 HydrophobicContact CG2-CG 3.88Å
572	L	90.8	Very high	80.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142	179.8	-61.7	103.1	0	0	0	111.2	L506 I507 F508 S509 L532 F570 I581 L583	L506-L572 HydrophobicContact CB-CD1 4.39Å; L506-L572 HydrophobicContact CD2-CD1 4.28Å; I507-L572 PolarHBondContact O-N 3.08Å; F508-L572 WeakPolarHBondContact CA-O 3.48Å; F508-L572 HydrophobicContact CD1-CB 3.6Å; F508-L572 HydrophobicContact CD1-CD1 4.49Å; F508-L572 HydrophobicContact CE1-CB 3.52Å; F508-L572 HydrophobicContact CE1-CD1 3.91Å; F508-L572 HydrophobicContact CE1-CD2 4.13Å; F508-L572 HydrophobicContact CE1-CG 4.06Å; F508-L572 HydrophobicContact CZ-CB 4.48Å; F508-L572 HydrophobicContact CZ-CD1 4.05Å; S509-L572 PolarHBondContact N-O 2.89Å; S509-L572 VanDerWaalsContact N-O 3.1Å; L532-L572 HydrophobicContact CB-CD2 4.38Å; L532-L572 HydrophobicContact CD2-CD2 4.15Å; L532-L572 VanDerWaalsContact O-CA 3.24Å; L532-L572 WeakPolarHBondContact O-CA 3.44Å; F570-L572 HydrophobicContact CB-CD1 4.08Å; F570-L572 HydrophobicContact CD1-CD1 3.52Å; F570-L572 HydrophobicContact CD1-CD2 4.27Å; F570-L572 HydrophobicContact CD1-CG 3.68Å; F570-L572 HydrophobicContact CE1-CD1 4.25Å; F570-L572 HydrophobicContact CE1-CD2 4.18Å; F570-L572 HydrophobicContact CE1-CG 3.96Å; F570-L572 HydrophobicContact CG-CD1 3.97Å; F570-L572 WeakPolarHBondContact O-CD1 3.35Å; L572-I581 HydrophobicContact CD2-CD1 3.54Å; L572-L583 HydrophobicContact CD1-CD1 4.05Å; L572-L583 HydrophobicContact CD2-CD1 3.94Å
573	S	86.9	Confident	80.9	Confident	8 Å²	8	35.8 Å²	35.8	6%	0.056	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	143.2	159.9	78.1	0	0	0	0	108.6	S509 L532 D533 R575 A576 G577	S509-S573 CarbonylContact O-C 3.35Å; S509-S573 WeakPolarHBondContact O-CA 3.47Å; L532-S573 PolarHBondContact O-N 3.31Å; L532-S573 VanDerWaalsContact O-N 3.07Å; D533-S573 PolarHBondContact O-OG 3.39Å; D533-S573 VanDerWaalsContact O-OG 3.07Å; S573-R575 PolarHBondContact O-N 3.33Å; S573-R575 VanDerWaalsContact O-N 3.11Å; S573-A576 CarbonylContact O-C 3.58Å; S573-A576 WeakPolarHBondContact O-CA 3.44Å; S573-A576 WeakPolarHBondContact O-CB 3.31Å; S573-A576 PolarHBondContact O-N 3.48Å; S573-A576 WeakPolarHBondContact OG-CB 3.4Å; S573-A576 PolarHBondContact OG-N 3.14Å; S573-G577 PolarHBondContact O-N 3.38Å
574	T	76.8	Confident	80.9	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-28.5	-178.4	-29.4	0	0	0	0	111.7	F508 S509 Q510 G577 G578 V600 A604	F508-T574 HydrophobicContact CB-CG2 4.49Å; S509-T574 VanDerWaalsContact C-OG1 3.24Å; S509-T574 PolarHBondContact O-N 3.01Å; S509-T574 PolarHBondContact O-OG1 3.25Å; Q510-T574 PolarHBondContact N-OG1 3.15Å; Q510-T574 PolarHBondContact NE2-OG1 2.66Å; T574-G577 PolarHBondContact O-N 3.15Å; T574-G578 PolarHBondContact O-N 2.87Å; T574-V600 HydrophobicContact CG2-CG1 3.81Å; T574-A604 HydrophobicContact CG2-CB 3.99Å
575	R	69.1	Low	81.2	Confident	136 Å²	136	24.3 Å²	24.3	51%	0.513	14%	0.138	S	C	.	.	H	α-helix	trans	-69.9	-40.7	170.5	-64.7	-168	-171.1	-175.9	10.1	113.4	S573 G577 G578	S573-R575 PolarHBondContact O-N 3.33Å; S573-R575 VanDerWaalsContact O-N 3.11Å; R575-G577 PolarHBondContact O-N 2.96Å; R575-G578 PolarHBondContact O-N 3.04Å
576	A	66.6	Low	81.3	Confident	3 Å²	3	23.1 Å²	23.1	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-27.4	170.9	0	0	0	0	0	111.7	L532 S573 G578 L579	L532-A576 HydrophobicContact CD2-CB 4.46Å; L532-A576 HydrophobicContact CG-CB 4.15Å; L532-A576 WeakPolarHBondContact O-CB 3.46Å; S573-A576 CarbonylContact O-C 3.58Å; S573-A576 WeakPolarHBondContact O-CA 3.44Å; S573-A576 WeakPolarHBondContact O-CB 3.31Å; S573-A576 PolarHBondContact O-N 3.48Å; S573-A576 WeakPolarHBondContact OG-CB 3.4Å; S573-A576 PolarHBondContact OG-N 3.14Å; A576-G578 PolarHBondContact O-N 3.41Å; A576-L579 HydrophobicContact CB-CD1 3.82Å; A576-L579 HydrophobicContact CB-CG 4.45Å; A576-L579 WeakPolarHBondContact O-CB 3.47Å; A576-L579 VanDerWaalsContact O-CD1 3.25Å; A576-L579 WeakPolarHBondContact O-CD1 3.34Å; A576-L579 WeakPolarHBondContact O-CG 3.28Å; A576-L579 PolarHBondContact O-N 3Å; A576-L579 VanDerWaalsContact O-N 3.17Å
577	G	57.2	Low	81.6	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-29.8	168.7	0	0	0	0	0	113.4	S573 T574 R575 L579 R607	S573-G577 PolarHBondContact O-N 3.38Å; T574-G577 PolarHBondContact O-N 3.15Å; R575-G577 PolarHBondContact O-N 2.96Å; G577-L579 PolarHBondContact O-N 3.47Å; G577-R607 WeakPolarHBondContact O-CD 3.34Å; G577-R607 WeakPolarHBondContact O-CG 3.27Å; G577-R607 PolarHBondContact O-NE 3.14Å
578	G	59.6	Low	81.9	Confident	26 Å²	26	17.6 Å²	17.6	27%	0.268	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-5.6	174.4	0	0	0	0	0	114.8	T574 R575 A576 G580	T574-G578 PolarHBondContact O-N 2.87Å; R575-G578 PolarHBondContact O-N 3.04Å; A576-G578 PolarHBondContact O-N 3.41Å; G578-G580 PolarHBondContact O-N 3Å
579	L	63.3	Low	81.9	Confident	37 Å²	37	16.8 Å²	16.8	19%	0.194	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	6.2	-171.5	-61.4	174.7	0	0	0	115	T243 L532 A576 G577 I581	T243-L579 WeakPolarHBondContact CG2-O 2.93Å; L532-L579 HydrophobicContact CD2-CD1 4.18Å; A576-L579 HydrophobicContact CB-CD1 3.82Å; A576-L579 HydrophobicContact CB-CG 4.45Å; A576-L579 WeakPolarHBondContact O-CB 3.47Å; A576-L579 VanDerWaalsContact O-CD1 3.25Å; A576-L579 WeakPolarHBondContact O-CD1 3.34Å; A576-L579 WeakPolarHBondContact O-CG 3.28Å; A576-L579 PolarHBondContact O-N 3Å; A576-L579 VanDerWaalsContact O-N 3.17Å; G577-L579 PolarHBondContact O-N 3.47Å; L579-I581 VanDerWaalsContact C-N 3.26Å; L579-I581 HydrophobicContact CB-CG2 4.28Å; L579-I581 PolarHBondContact O-N 3.04Å
580	G	63.7	Low	81.9	Confident	11 Å²	11	16.8 Å²	16.8	11%	0.113	9%	0.093	C	C	.	.			trans	76	7.4	175.3	0	0	0	0	0	115.4	G578 R607	G578-G580 PolarHBondContact O-N 3Å; G580-R607 PolarHBondContact O-NH1 3.39Å
581	I	73.6	Confident	82	Confident	12 Å²	12	16.8 Å²	16.8	6%	0.062	9%	0.093	C	C	.	.			trans	-65.5	158.3	-179.5	60.6	178.6	0	0	0	113.3	L532 I557 L572 L579 L583 R607	L532-I581 HydrophobicContact CD2-CD1 3.79Å; I557-I581 HydrophobicContact CD1-CB 4.04Å; I557-I581 HydrophobicContact CD1-CG2 3.7Å; L572-I581 HydrophobicContact CD2-CD1 3.54Å; L579-I581 VanDerWaalsContact C-N 3.26Å; L579-I581 HydrophobicContact CB-CG2 4.28Å; L579-I581 PolarHBondContact O-N 3.04Å; I581-L583 HydrophobicContact CD1-CD1 3.74Å; I581-L583 HydrophobicContact CD1-CG 4.23Å; I581-L583 HydrophobicContact CG1-CD1 4.28Å; I581-L583 HydrophobicContact CG1-CG 4.4Å; I581-R607 HydrophobicContact CG1-CG 4.45Å; I581-R607 VanDerWaalsContact O-CD 3.26Å; I581-R607 WeakPolarHBondContact O-CD 3.42Å; I581-R607 PolarHBondContact O-NH1 3.27Å
582	N	81.1	Confident	82.1	Confident	61 Å²	61	16.8 Å²	16.8	33%	0.326	9%	0.093	S	C	.	.			trans	-108.6	115.2	177.9	-177.5	4.7	0	0	0	110.6	N561 A584	N561-N582 PolarHBondContact ND2-O 2.7Å; N582-A584 VanDerWaalsContact OD1-CB 3.3Å; N582-A584 WeakPolarHBondContact OD1-CB 3.46Å; N582-A584 PolarHBondContact OD1-N 3.11Å; N582-A584 VanDerWaalsContact OD1-N 3.13Å
583	L	87.8	Confident	82.3	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.093	C	C	.	.			trans	-127.3	33.2	179.2	-62.2	172.8	0	0	0	110.8	L506 I557 F560 F570 L572 I581 S585 A586 R607	L506-L583 HydrophobicContact CD1-CB 3.93Å; L506-L583 HydrophobicContact CD1-CD1 4.02Å; L506-L583 HydrophobicContact CD2-CB 4.15Å; L506-L583 HydrophobicContact CD2-CD1 3.86Å; I557-L583 HydrophobicContact CG1-CD2 4.46Å; I557-L583 HydrophobicContact CG2-CD2 4.37Å; F560-L583 HydrophobicContact CD1-CD2 3.83Å; F560-L583 HydrophobicContact CE1-CD2 4.31Å; F570-L583 HydrophobicContact CD2-CD1 4.31Å; F570-L583 HydrophobicContact CD2-CD2 3.75Å; F570-L583 HydrophobicContact CE2-CD2 3.75Å; L572-L583 HydrophobicContact CD1-CD1 4.05Å; L572-L583 HydrophobicContact CD2-CD1 3.94Å; I581-L583 HydrophobicContact CD1-CD1 3.74Å; I581-L583 HydrophobicContact CD1-CG 4.23Å; I581-L583 HydrophobicContact CG1-CD1 4.28Å; I581-L583 HydrophobicContact CG1-CG 4.4Å; L583-S585 PolarHBondContact O-N 3.46Å; L583-A586 WeakPolarHBondContact O-CB 3.43Å; L583-A586 PolarHBondContact O-N 2.92Å; L583-R607 CarbonylContact C-O 3.58Å; L583-R607 HydrophobicContact CB-CB 4.42Å; L583-R607 HydrophobicContact CD1-CB 4.47Å; L583-R607 PolarHBondContact N-O 3.41Å; L583-R607 VanDerWaalsContact N-O 3.07Å
584	A	86	Confident	82.4	Confident	10 Å²	10	16.8 Å²	16.8	8%	0.083	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-3.4	-177.7	0	0	0	0	0	114.6	N582 A586 R607 Q613	N582-A584 VanDerWaalsContact OD1-CB 3.3Å; N582-A584 WeakPolarHBondContact OD1-CB 3.46Å; N582-A584 PolarHBondContact OD1-N 3.11Å; N582-A584 VanDerWaalsContact OD1-N 3.13Å; A584-A586 VanDerWaalsContact C-N 3.28Å; A584-R607 PolarHBondContact N-O 3.02Å; A584-Q613 PolarHBondContact O-NE2 2.98Å; A584-Q613 VanDerWaalsContact O-NE2 3.08Å; A584-Q613 PolarHBondContact O-OE1 3.43Å
585	S	90.3	Very high	82.8	Confident	34 Å²	34	17.1 Å²	17.1	24%	0.238	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.7	169	64.4	0	0	0	0	113.4	R504 F560 N561 L583	R504-S585 PolarHBondContact NH1-OG 2.91Å; F560-S585 WeakPolarHBondContact CD1-OG 3.2Å; F560-S585 WeakPolarHBondContact CE1-OG 3.34Å; N561-S585 WeakPolarHBondContact OD1-CB 3.31Å; N561-S585 PolarHBondContact OD1-OG 2.75Å; L583-S585 PolarHBondContact O-N 3.46Å
586	A	93.7	Very high	83.1	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.079	C	C	.	.			trans	-81.5	129.9	173	0	0	0	0	0	111.7	R504 L506 F560 L583 A584 A608 Q613	R504-A586 HydrophobicContact CB-CB 4.37Å; R504-A586 WeakPolarHBondContact O-CA 3.34Å; L506-A586 HydrophobicContact CD1-CB 4.05Å; L506-A586 HydrophobicContact CD2-CB 3.73Å; L506-A586 HydrophobicContact CG-CB 3.52Å; F560-A586 HydrophobicContact CE1-CB 3.99Å; F560-A586 HydrophobicContact CZ-CB 3.98Å; L583-A586 WeakPolarHBondContact O-CB 3.43Å; L583-A586 PolarHBondContact O-N 2.92Å; A584-A586 VanDerWaalsContact C-N 3.28Å; A586-A608 HydrophobicContact CB-CB 4.34Å; A586-Q613 PolarHBondContact O-NE2 3.36Å
587	D	95	Very high	83.4	Confident	13 Å²	13	15.1 Å²	15.1	7%	0.07	9%	0.09	C	C	.	.			trans	-101.7	-6.7	173.9	60.8	-54.6	0	0	0	112.5	S503 R504 K615 V617 R618	S503-D587 VanDerWaalsContact CA-OD1 3.29Å; S503-D587 WeakPolarHBondContact CA-OD1 3.15Å; S503-D587 WeakPolarHBondContact CB-OD1 3.25Å; S503-D587 WeakPolarHBondContact CB-OD2 3.47Å; S503-D587 PolarHBondContact OG-OD2 2.95Å; R504-D587 PolarHBondContact N-OD1 3.49Å; R504-D587 PolarHBondContact O-N 3.19Å; D587-K615 HydrophobicContact CB-CB 3.88Å; D587-K615 HydrophobicContact CB-CD 3.94Å; D587-V617 CarbonylContact O-C 3.48Å; D587-V617 WeakPolarHBondContact O-CA 3.42Å; D587-R618 PolarHBondContact O-N 3.08Å
588	V	97.1	Very high	84.6	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.8	177.5	-176.3	0	0	0	0	111.4	L498 R504 V505 L506 I590 R618 F620	L498-V588 HydrophobicContact CD1-CB 4.44Å; L498-V588 HydrophobicContact CD1-CG1 3.77Å; L498-V588 HydrophobicContact CD1-CG2 4.46Å; L498-V588 HydrophobicContact CD2-CG1 4.49Å; L498-V588 HydrophobicContact CD2-CG2 3.92Å; R504-V588 PolarHBondContact O-N 3.34Å; V505-V588 WeakPolarHBondContact CA-O 3.47Å; V505-V588 HydrophobicContact CG1-CG1 4.3Å; V505-V588 HydrophobicContact CG2-CB 4.22Å; L506-V588 PolarHBondContact N-O 2.96Å; V588-I590 HydrophobicContact CG1-CG1 4.24Å; V588-R618 CarbonylContact C-O 3.56Å; V588-R618 WeakPolarHBondContact CA-O 3.46Å; V588-F620 HydrophobicContact CG1-CD2 3.67Å; V588-F620 HydrophobicContact CG1-CE2 3.65Å
589	V	96.3	Very high	85.3	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.1	172.1	178.7	0	0	0	0	108.7	L506 F508 L591 A608 V617 R618 V619 F620	L506-V589 HydrophobicContact CB-CG2 4.41Å; L506-V589 HydrophobicContact CD1-CG2 4.3Å; L506-V589 CarbonylContact O-C 3.57Å; L506-V589 WeakPolarHBondContact O-CA 3.39Å; F508-V589 HydrophobicContact CD2-CG1 3.68Å; F508-V589 HydrophobicContact CE2-CG1 3.7Å; V589-L591 HydrophobicContact CG1-CD2 4.2Å; V589-A608 HydrophobicContact CG2-CB 3.68Å; V589-V617 HydrophobicContact CG2-CG1 4.23Å; V589-R618 PolarHBondContact N-O 3.14Å; V589-V619 HydrophobicContact CB-CG1 4.32Å; V589-V619 HydrophobicContact CB-CG2 4.22Å; V589-V619 HydrophobicContact CG1-CG1 4.33Å; V589-V619 CarbonylContact O-C 3.54Å; V589-V619 VanDerWaalsContact O-CA 3.26Å; V589-V619 WeakPolarHBondContact O-CA 3.31Å; V589-F620 PolarHBondContact O-N 2.88Å
590	I	97.4	Very high	86.1	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.5	173.5	-57.8	179.2	0	0	0	107.7	L491 L494 L495 L498 V505 L506 I507 F508 V588 F620 L622	L491-I590 HydrophobicContact CD1-CD1 3.64Å; L491-I590 HydrophobicContact CD1-CG2 4.18Å; L494-I590 HydrophobicContact CD2-CD1 3.84Å; L494-I590 HydrophobicContact CD2-CG1 4.42Å; L495-I590 HydrophobicContact CD2-CD1 4.18Å; L498-I590 HydrophobicContact CD1-CD1 4.31Å; V505-I590 HydrophobicContact CG1-CD1 3.67Å; V505-I590 HydrophobicContact CG1-CG1 3.92Å; L506-I590 PolarHBondContact O-N 3.41Å; I507-I590 WeakPolarHBondContact CA-O 3.27Å; I507-I590 HydrophobicContact CG1-CB 4.35Å; I507-I590 HydrophobicContact CG1-CD1 4.47Å; F508-I590 PolarHBondContact N-O 2.92Å; V588-I590 HydrophobicContact CG1-CG1 4.24Å; I590-F620 CarbonylContact C-O 3.44Å; I590-F620 WeakPolarHBondContact CA-O 3.48Å; I590-F620 HydrophobicContact CG1-CB 4.41Å; I590-F620 HydrophobicContact CG1-CD2 4.38Å; I590-L622 HydrophobicContact CG2-CD1 4.26Å; I590-L622 HydrophobicContact CG2-CG 4.24Å
591	L	95.8	Very high	87.2	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	98.8	167.5	-60	-175.1	0	0	0	107.4	F508 V589 D593 D601 M605 V619 F620 R621 L622	F508-L591 HydrophobicContact CB-CD2 3.76Å; F508-L591 HydrophobicContact CD2-CD2 3.91Å; F508-L591 HydrophobicContact CG-CD2 4.15Å; V589-L591 HydrophobicContact CG1-CD2 4.2Å; L591-D593 VanDerWaalsContact C-N 3.31Å; L591-D601 HydrophobicContact CD1-CB 3.95Å; L591-M605 HydrophobicContact CD1-CE 3.41Å; L591-M605 VanDerWaalsContact CD1-CE 3.41Å; L591-M605 HydrophobicContact CG-CE 4.49Å; L591-V619 HydrophobicContact CG-CG1 4.45Å; L591-F620 PolarHBondContact N-O 3.39Å; L591-R621 HydrophobicContact CB-CB 4.49Å; L591-R621 HydrophobicContact CB-CG 4.37Å; L591-R621 VanDerWaalsContact CD1-CZ 3.43Å; L591-R621 VanDerWaalsContact CD1-NH2 3.34Å; L591-L622 PolarHBondContact O-N 3.11Å
592	Y	96.9	Very high	87.7	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-67.6	-37.5	-178.1	-165.8	-76.6	0	0	0	111	N461 K487 M488 L491 F508 L514 L518 L622	N461-Y592 HydrophobicContact CB-CE1 4.23Å; N461-Y592 PolarHBondContact O-OH 3.47Å; K487-Y592 HydrophobicContact CB-CE1 3.94Å; K487-Y592 HydrophobicContact CB-CE2 4.1Å; K487-Y592 WeakPolarHBondContact CB-OH 3.5Å; K487-Y592 HydrophobicContact CD-CD1 3.88Å; K487-Y592 HydrophobicContact CD-CE1 3.5Å; K487-Y592 VanDerWaalsContact CD-CE1 3.5Å; K487-Y592 HydrophobicContact CG-CE1 4.39Å; K487-Y592 PolarHBondContact NZ-O 3.22Å; M488-Y592 WeakPolarHBondContact CG-OH 3.32Å; M488-Y592 HydrophobicContact SD-CE2 3.83Å; M488-Y592 PolarHBondContact SD-OH 2.9Å; L491-Y592 HydrophobicContact CD2-CD2 4.05Å; L491-Y592 HydrophobicContact CD2-CE2 3.8Å; F508-Y592 WeakPolarHBondContact O-CB 2.99Å; F508-Y592 PolarHBondContact O-N 3.27Å; L514-Y592 HydrophobicContact CD1-CE1 3.87Å; L514-Y592 HydrophobicContact CD2-CD1 3.2Å; L514-Y592 HydrophobicContact CD2-CE1 3.36Å; L514-Y592 HydrophobicContact CD2-CG 4Å; L514-Y592 HydrophobicContact CG-CD1 4.24Å; L514-Y592 HydrophobicContact CG-CE1 4.08Å; L518-Y592 HydrophobicContact CD1-CD2 4.44Å; L518-Y592 HydrophobicContact CD2-CD2 4.4Å; L518-Y592 HydrophobicContact CD2-CE2 4.05Å; Y592-L622 HydrophobicContact CD2-CD1 4.02Å; Y592-L622 HydrophobicContact CE2-CD1 4.36Å; Y592-L622 HydrophobicContact CG-CD1 4.45Å
593	D	93.6	Very high	87.7	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.082	C	C	.	.	S	Bend	trans	-140	162.4	167.8	60.3	22.8	0	0	0	110.5	N461 S509 Q510 L591	N461-D593 PolarHBondContact ND2-OD2 3.3Å; N461-D593 WeakPolarHBondContact OD1-CB 3.46Å; S509-D593 WeakPolarHBondContact CA-OD1 3.17Å; S509-D593 PolarHBondContact OG-OD2 3.23Å; Q510-D593 WeakPolarHBondContact CB-OD1 3.48Å; Q510-D593 VanDerWaalsContact CG-OD1 3.28Å; Q510-D593 WeakPolarHBondContact CG-OD1 3.4Å; Q510-D593 PolarHBondContact N-OD1 3.35Å; L591-D593 VanDerWaalsContact C-N 3.31Å
594	S	89.3	Confident	87.6	Confident	7 Å²	7	15.2 Å²	15.2	5%	0.049	8%	0.082	C	C	.	.			trans	-106.1	143.1	-172.5	-53.8	0	0	0	0	111.8	R457 R621	R457-S594 PolarHBondContact NH1-O 3.49Å; R457-S594 PolarHBondContact NH2-O 3.46Å; S594-R621 VanDerWaalsContact CB-NH1 3.28Å; S594-R621 PolarHBondContact OG-NH1 3.45Å
595	D	85.2	Confident	87.7	Confident	8 Å²	8	14.9 Å²	14.9	4%	0.043	8%	0.078	C	C	.	.			trans	-70.4	158.5	168	-152.9	-76.9	0	0	0	111.2	Q510 N597 V600 D601	Q510-D595 VanDerWaalsContact CD-OD2 3.28Å; Q510-D595 PolarHBondContact NE2-OD2 3.08Å; Q510-D595 PolarHBondContact OE1-OD2 2.88Å; D595-N597 VanDerWaalsContact C-N 3.26Å; D595-N597 PolarHBondContact OD1-N 2.95Å; D595-V600 HydrophobicContact CB-CB 3.91Å; D595-V600 HydrophobicContact CB-CG1 4.24Å; D595-D601 WeakPolarHBondContact CB-OD1 3.43Å; D595-D601 PolarHBondContact N-OD1 3.1Å; D595-D601 VanDerWaalsContact N-OD1 3.08Å; D595-D601 PolarHBondContact N-OD2 3.37Å
596	W	76	Confident	87.5	Confident	48 Å²	48	13.5 Å²	13.5	18%	0.182	7%	0.068	C	C	.	.	S	Bend	trans	-67.6	-32.5	167	-67.9	99.9	0	0	0	112.5	L453 P598 I632 L660 M668	L453-W596 HydrophobicContact CD1-CH2 3.9Å; L453-W596 HydrophobicContact CD1-CZ2 4.44Å; L453-W596 HydrophobicContact CD2-CH2 3.35Å; L453-W596 HydrophobicContact CD2-CZ2 3.12Å; L453-W596 HydrophobicContact CG-CH2 4.28Å; L453-W596 HydrophobicContact CG-CZ2 4.4Å; W596-P598 WeakPolarHBondContact O-CD 3.05Å; W596-I632 HydrophobicContact CD2-CG2 4.44Å; W596-I632 HydrophobicContact CE3-CG1 4.14Å; W596-I632 HydrophobicContact CE3-CG2 4.07Å; W596-I632 HydrophobicContact CH2-CD1 3.48Å; W596-I632 VanDerWaalsContact CH2-CD1 3.48Å; W596-I632 HydrophobicContact CH2-CG1 3.44Å; W596-I632 VanDerWaalsContact CH2-CG1 3.44Å; W596-I632 HydrophobicContact CZ2-CD1 3.61Å; W596-I632 HydrophobicContact CZ2-CG1 4.08Å; W596-I632 HydrophobicContact CZ3-CB 4.33Å; W596-I632 HydrophobicContact CZ3-CD1 3.98Å; W596-I632 HydrophobicContact CZ3-CG1 3.47Å; W596-I632 VanDerWaalsContact CZ3-CG1 3.47Å; W596-I632 HydrophobicContact CZ3-CG2 4.24Å; W596-L660 HydrophobicContact CD2-CD1 4.35Å; W596-L660 HydrophobicContact CE3-CD1 3.49Å; W596-L660 VanDerWaalsContact CE3-CD1 3.49Å; W596-L660 HydrophobicContact CE3-CD2 3.92Å; W596-L660 HydrophobicContact CE3-CG 4.36Å; W596-L660 HydrophobicContact CH2-CD2 3.76Å; W596-L660 HydrophobicContact CZ3-CD1 3.74Å; W596-L660 HydrophobicContact CZ3-CD2 3.43Å; W596-L660 VanDerWaalsContact CZ3-CD2 3.43Å; W596-L660 HydrophobicContact CZ3-CG 4.18Å; W596-M668 HydrophobicContact CH2-CE 4.1Å; W596-M668 HydrophobicContact CH2-SD 4.32Å; W596-M668 HydrophobicContact CZ3-CE 3.88Å; W596-M668 HydrophobicContact CZ3-SD 4.03Å
597	N	73.5	Confident	87	Confident	50 Å²	50	13.7 Å²	13.7	27%	0.267	7%	0.069	S	C	.	.	S	Bend	trans	-95.9	104.8	176.1	-176.5	13.2	0	0	0	109.3	D595 Q599 V600	D595-N597 VanDerWaalsContact C-N 3.26Å; D595-N597 PolarHBondContact OD1-N 2.95Å; N597-Q599 PolarHBondContact O-N 2.81Å; N597-Q599 PolarHBondContact OD1-N 3.35Å; N597-V600 HydrophobicContact CB-CG2 4Å; N597-V600 WeakPolarHBondContact O-CB 3.29Å; N597-V600 PolarHBondContact O-N 3.12Å
598	P	81	Confident	86.7	Confident	3 Å²	3	13 Å²	13	2%	0.019	7%	0.065	C	C	.	.	H	α-helix	trans	-57.4	-24.1	-178.4	21.7	-33.7	0	0	0	113.6	W596 V600 D601 L602 A636 K639 L640	W596-P598 WeakPolarHBondContact O-CD 3.05Å; P598-V600 VanDerWaalsContact C-N 3.26Å; P598-V600 PolarHBondContact O-N 3.04Å; P598-D601 PolarHBondContact O-N 3.31Å; P598-L602 WeakPolarHBondContact O-CG 3.22Å; P598-L602 PolarHBondContact O-N 3.01Å; P598-A636 HydrophobicContact CB-CB 3.99Å; P598-A636 HydrophobicContact CG-CB 4.23Å; P598-A636 WeakPolarHBondContact CG-O 3.25Å; P598-K639 HydrophobicContact CG-CB 4.4Å; P598-K639 HydrophobicContact CG-CD 4.13Å; P598-K639 HydrophobicContact CG-CG 4.33Å; P598-L640 HydrophobicContact CB-CD1 3.69Å; P598-L640 HydrophobicContact CB-CD2 3.68Å; P598-L640 HydrophobicContact CB-CG 3.45Å; P598-L640 VanDerWaalsContact CB-CG 3.45Å; P598-L640 HydrophobicContact CG-CD1 4.49Å; P598-L640 HydrophobicContact CG-CD2 3.83Å; P598-L640 HydrophobicContact CG-CG 3.72Å
599	Q	75.8	Confident	86.3	Confident	32 Å²	32	13.7 Å²	13.7	15%	0.15	7%	0.068	C	C	.	.	H	α-helix	trans	-60.3	-37.9	176.6	-64.6	-176.9	-2.4	0	0	111.6	T341 N597 D601 L602 Q603 D643	T341-Q599 VanDerWaalsContact CG2-OE1 3.3Å; N597-Q599 PolarHBondContact O-N 2.81Å; N597-Q599 PolarHBondContact OD1-N 3.35Å; Q599-D601 VanDerWaalsContact C-N 3.35Å; Q599-D601 PolarHBondContact O-N 3.03Å; Q599-L602 WeakPolarHBondContact O-CB 3.36Å; Q599-L602 PolarHBondContact O-N 2.92Å; Q599-Q603 WeakPolarHBondContact O-CG 3.18Å; Q599-Q603 PolarHBondContact O-N 3.48Å; Q599-D643 PolarHBondContact NE2-OD2 2.86Å
600	V	78.2	Confident	85.7	Confident	32 Å²	32	15.8 Å²	15.8	19%	0.194	8%	0.076	C	C	.	.	H	α-helix	trans	-61.4	-45	179.3	179.1	0	0	0	0	110.5	T574 D595 N597 P598 Q603 A604	T574-V600 HydrophobicContact CG2-CG1 3.81Å; D595-V600 HydrophobicContact CB-CB 3.91Å; D595-V600 HydrophobicContact CB-CG1 4.24Å; N597-V600 HydrophobicContact CB-CG2 4Å; N597-V600 WeakPolarHBondContact O-CB 3.29Å; N597-V600 PolarHBondContact O-N 3.12Å; P598-V600 VanDerWaalsContact C-N 3.26Å; P598-V600 PolarHBondContact O-N 3.04Å; V600-Q603 WeakPolarHBondContact O-CB 3.5Å; V600-Q603 PolarHBondContact O-N 3.44Å; V600-A604 PolarHBondContact O-N 3.36Å; V600-A604 VanDerWaalsContact O-N 3.12Å
601	D	87	Confident	84.7	Confident	1 Å²	1	18 Å²	18	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-64.8	-41.3	176.6	-67.6	-3.2	0	0	0	111.4	L591 D595 P598 Q599 Q603 A604 M605 R621	L591-D601 HydrophobicContact CD1-CB 3.95Å; D595-D601 WeakPolarHBondContact CB-OD1 3.43Å; D595-D601 PolarHBondContact N-OD1 3.1Å; D595-D601 VanDerWaalsContact N-OD1 3.08Å; D595-D601 PolarHBondContact N-OD2 3.37Å; P598-D601 PolarHBondContact O-N 3.31Å; Q599-D601 VanDerWaalsContact C-N 3.35Å; Q599-D601 PolarHBondContact O-N 3.03Å; D601-Q603 VanDerWaalsContact C-N 3.32Å; D601-Q603 PolarHBondContact O-N 2.88Å; D601-A604 WeakPolarHBondContact O-CB 3.48Å; D601-A604 PolarHBondContact O-N 3Å; D601-M605 WeakPolarHBondContact O-CG 2.73Å; D601-M605 PolarHBondContact O-N 2.87Å; D601-R621 IonicContact OD2-CZ 3.92Å; D601-R621 IonicContact OD2-NH1 2.78Å; D601-R621 PolarHBondContact OD2-NH1 3.45Å; D601-R621 IonicContact OD2-NH2 2.74Å
602	L	84	Confident	83.9	Confident	51 Å²	51	20.5 Å²	20.5	27%	0.267	11%	0.113	S	C	.	.	H	α-helix	trans	-60.8	-39.9	174	-71.3	177.3	0	0	0	112	P598 Q599 A604 M605 D606 L640	P598-L602 WeakPolarHBondContact O-CG 3.22Å; P598-L602 PolarHBondContact O-N 3.01Å; Q599-L602 WeakPolarHBondContact O-CB 3.36Å; Q599-L602 PolarHBondContact O-N 2.92Å; L602-A604 VanDerWaalsContact C-N 3.27Å; L602-A604 PolarHBondContact O-N 3.49Å; L602-M605 HydrophobicContact CD2-SD 4.15Å; L602-M605 PolarHBondContact O-N 3.4Å; L602-D606 WeakPolarHBondContact O-CB 3.49Å; L602-D606 VanDerWaalsContact O-CG 3.28Å; L602-D606 PolarHBondContact O-N 3.02Å; L602-L640 HydrophobicContact CD1-CD1 4.19Å; L602-L640 HydrophobicContact CD1-CD2 3.48Å; L602-L640 VanDerWaalsContact CD1-CD2 3.48Å; L602-L640 HydrophobicContact CD1-CG 4.5Å; L602-L640 HydrophobicContact CG-CD1 4.49Å; L602-L640 HydrophobicContact CG-CD2 4.47Å
603	Q	82.8	Confident	83.5	Confident	30 Å²	30	21.2 Å²	21.2	14%	0.14	12%	0.117	C	C	.	.	H	α-helix	trans	-63.3	-36.3	176.5	-49.4	-154.1	-26.6	0	0	112.1	M210 Q599 V600 D601 R607	M210-Q603 HydrophobicContact CE-CB 3.76Å; M210-Q603 HydrophobicContact CE-CG 3.72Å; M210-Q603 HydrophobicContact SD-CB 4.07Å; M210-Q603 HydrophobicContact SD-CG 3.49Å; M210-Q603 WeakPolarHBondContact SD-CG 3.48Å; M210-Q603 PolarHBondContact SD-NE2 3.05Å; M210-Q603 VanDerWaalsContact SD-NE2 3.42Å; Q599-Q603 WeakPolarHBondContact O-CG 3.18Å; Q599-Q603 PolarHBondContact O-N 3.48Å; V600-Q603 WeakPolarHBondContact O-CB 3.5Å; V600-Q603 PolarHBondContact O-N 3.44Å; D601-Q603 VanDerWaalsContact C-N 3.32Å; D601-Q603 PolarHBondContact O-N 2.88Å; Q603-R607 PolarHBondContact O-NE 3.26Å
604	A	84.7	Confident	83.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.4	-46.5	177.2	0	0	0	0	0	111.3	F508 T574 V600 D601 L602 D606 R607	F508-A604 HydrophobicContact CD1-CB 3.76Å; F508-A604 HydrophobicContact CD2-CB 4.04Å; F508-A604 HydrophobicContact CE1-CB 3.7Å; F508-A604 HydrophobicContact CE2-CB 3.97Å; F508-A604 HydrophobicContact CG-CB 3.93Å; F508-A604 HydrophobicContact CZ-CB 3.8Å; F508-A604 WeakPolarHBondContact CZ-O 3.38Å; T574-A604 HydrophobicContact CG2-CB 3.99Å; V600-A604 PolarHBondContact O-N 3.36Å; V600-A604 VanDerWaalsContact O-N 3.12Å; D601-A604 WeakPolarHBondContact O-CB 3.48Å; D601-A604 PolarHBondContact O-N 3Å; L602-A604 VanDerWaalsContact C-N 3.27Å; L602-A604 PolarHBondContact O-N 3.49Å; A604-D606 VanDerWaalsContact C-N 3.27Å; A604-D606 PolarHBondContact O-N 3.35Å; A604-R607 VanDerWaalsContact O-CB 3.26Å; A604-R607 WeakPolarHBondContact O-CB 3.26Å; A604-R607 VanDerWaalsContact O-CG 3.27Å; A604-R607 WeakPolarHBondContact O-CG 3.29Å; A604-R607 PolarHBondContact O-N 3.06Å; A604-R607 VanDerWaalsContact O-N 3.09Å
605	M	88.6	Confident	83.2	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-58.5	-40.6	173.7	-63.9	175.7	-162.4	0	0	112.1	L591 D601 L602 R607 A608 H609 V619 R621	L591-M605 HydrophobicContact CD1-CE 3.41Å; L591-M605 VanDerWaalsContact CD1-CE 3.41Å; L591-M605 HydrophobicContact CG-CE 4.49Å; D601-M605 WeakPolarHBondContact O-CG 2.73Å; D601-M605 PolarHBondContact O-N 2.87Å; L602-M605 HydrophobicContact CD2-SD 4.15Å; L602-M605 PolarHBondContact O-N 3.4Å; M605-R607 PolarHBondContact O-N 2.94Å; M605-R607 VanDerWaalsContact O-N 3.08Å; M605-A608 PolarHBondContact O-N 3.43Å; M605-H609 PolarHBondContact O-N 3.41Å; M605-V619 HydrophobicContact CE-CG1 3.91Å; M605-V619 HydrophobicContact CG-CG1 4.02Å; M605-V619 HydrophobicContact CG-CG2 4.2Å; M605-V619 HydrophobicContact SD-CG1 4.02Å; M605-V619 HydrophobicContact SD-CG2 4.22Å; M605-R621 VanDerWaalsContact CE-NH2 3.26Å
606	D	85.3	Confident	83.6	Confident	5 Å²	5	38.3 Å²	38.3	3%	0.027	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-2.4	179.4	-78.1	-2.3	0	0	0	113.9	M210 K400 K410 L602 A604 A608 R610	M210-D606 VanDerWaalsContact CB-OD2 3.29Å; M210-D606 WeakPolarHBondContact CB-OD2 3.42Å; K400-D606 IonicContact NZ-OD1 2.67Å; K400-D606 PolarHBondContact NZ-OD1 2.99Å; K400-D606 IonicContact NZ-OD2 2.99Å; K400-D606 PolarHBondContact NZ-OD2 3.39Å; K400-D606 VanDerWaalsContact NZ-OD2 3.13Å; K410-D606 IonicContact NZ-OD1 2.7Å; L602-D606 WeakPolarHBondContact O-CB 3.49Å; L602-D606 VanDerWaalsContact O-CG 3.28Å; L602-D606 PolarHBondContact O-N 3.02Å; A604-D606 VanDerWaalsContact C-N 3.27Å; A604-D606 PolarHBondContact O-N 3.35Å; D606-A608 VanDerWaalsContact C-N 3.34Å; D606-R610 WeakPolarHBondContact O-CB 3.29Å
607	R	84.5	Confident	84.4	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.015	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-35	167	-60.8	-52.2	97	-164.9	11.2	112	L506 F508 G577 G580 I581 L583 A584 Q603 A604 M605	L506-R607 HydrophobicContact CD1-CB 4.3Å; F508-R607 HydrophobicContact CZ-CB 4.45Å; F508-R607 HydrophobicContact CZ-CG 4.23Å; G577-R607 WeakPolarHBondContact O-CD 3.34Å; G577-R607 WeakPolarHBondContact O-CG 3.27Å; G577-R607 PolarHBondContact O-NE 3.14Å; G580-R607 PolarHBondContact O-NH1 3.39Å; I581-R607 HydrophobicContact CG1-CG 4.45Å; I581-R607 VanDerWaalsContact O-CD 3.26Å; I581-R607 WeakPolarHBondContact O-CD 3.42Å; I581-R607 PolarHBondContact O-NH1 3.27Å; L583-R607 CarbonylContact C-O 3.58Å; L583-R607 HydrophobicContact CB-CB 4.42Å; L583-R607 HydrophobicContact CD1-CB 4.47Å; L583-R607 PolarHBondContact N-O 3.41Å; L583-R607 VanDerWaalsContact N-O 3.07Å; A584-R607 PolarHBondContact N-O 3.02Å; Q603-R607 PolarHBondContact O-NE 3.26Å; A604-R607 VanDerWaalsContact O-CB 3.26Å; A604-R607 WeakPolarHBondContact O-CB 3.26Å; A604-R607 VanDerWaalsContact O-CG 3.27Å; A604-R607 WeakPolarHBondContact O-CG 3.29Å; A604-R607 PolarHBondContact O-N 3.06Å; A604-R607 VanDerWaalsContact O-N 3.09Å; M605-R607 PolarHBondContact O-N 2.94Å; M605-R607 VanDerWaalsContact O-N 3.08Å
608	A	88	Confident	85.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-41.5	176.5	0	0	0	0	0	112.1	L506 A586 V589 M605 D606 R610 Q613 V617	L506-A608 HydrophobicContact CD1-CB 3.89Å; A586-A608 HydrophobicContact CB-CB 4.34Å; V589-A608 HydrophobicContact CG2-CB 3.68Å; M605-A608 PolarHBondContact O-N 3.43Å; D606-A608 VanDerWaalsContact C-N 3.34Å; A608-R610 VanDerWaalsContact C-N 3.34Å; A608-R610 PolarHBondContact O-N 3.07Å; A608-R610 VanDerWaalsContact O-N 3.1Å; A608-Q613 PolarHBondContact O-NE2 2.97Å; A608-Q613 VanDerWaalsContact O-NE2 3.09Å; A608-V617 HydrophobicContact CB-CG1 4.35Å
609	H	87.9	Confident	86.2	Confident	13 Å²	13	36.9 Å²	36.9	6%	0.06	19%	0.189	C	C	.	.	S	Bend	trans	-87.4	71.4	179	-167.4	-113.7	0	0	0	112	K400 L407 P408 K410 M605 V617	K400-H609 PolarHBondContact NZ-O 3.07Å; L407-H609 WeakPolarHBondContact CD2-CE1 3.37Å; L407-H609 WeakPolarHBondContact CD2-NE2 3.31Å; P408-H609 PolarHBondContact O-NE2 3.25Å; K410-H609 HydrophobicContact CB-CB 4.49Å; K410-H609 HydrophobicContact CD-CB 4.32Å; M605-H609 PolarHBondContact O-N 3.41Å; H609-V617 HydrophobicContact CB-CB 4.46Å; H609-V617 HydrophobicContact CB-CG2 4.25Å
610	R	85.3	Confident	87.2	Confident	45 Å²	45	35.6 Å²	35.6	17%	0.17	18%	0.183	C	C	.	.	S	Bend	trans	-140.7	164.2	-178.6	-167.7	161.2	-173.5	-177.5	8.3	111.1	L407 D606 A608 G612 Q613	L407-R610 WeakPolarHBondContact CD1-O 3.18Å; D606-R610 WeakPolarHBondContact O-CB 3.29Å; A608-R610 VanDerWaalsContact C-N 3.34Å; A608-R610 PolarHBondContact O-N 3.07Å; A608-R610 VanDerWaalsContact O-N 3.1Å; R610-G612 PolarHBondContact O-N 3.09Å; R610-Q613 VanDerWaalsContact O-CB 3.25Å; R610-Q613 WeakPolarHBondContact O-CB 3.41Å; R610-Q613 PolarHBondContact O-N 2.75Å
611	I	75.6	Confident	88.1	Confident	46 Å²	46	34.5 Å²	34.5	24%	0.236	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	127.3	173.2	-58.9	169.4	0	0	0	109.6	Y186 G211	Y186-I611 WeakPolarHBondContact OH-CD1 3.43Å; G211-I611 WeakPolarHBondContact O-CD1 3.4Å; G211-I611 VanDerWaalsContact O-CG1 3.32Å; G211-I611 WeakPolarHBondContact O-CG1 3.4Å
612	G	79.7	Confident	88.5	Confident	52 Å²	52	34.5 Å²	34.5	54%	0.536	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	111	-17.6	-173.4	0	0	0	0	0	113.5	R610	R610-G612 PolarHBondContact O-N 3.09Å
613	Q	87.3	Confident	89.1	Confident	16 Å²	16	32.1 Å²	32.1	8%	0.075	16%	0.163	C	C	.	.			trans	-64.6	132	172.1	179.4	57.8	-95.3	0	0	111	L407 A584 A586 A608 R610 K615 V617	L407-Q613 HydrophobicContact CD1-CB 4.09Å; A584-Q613 PolarHBondContact O-NE2 2.98Å; A584-Q613 VanDerWaalsContact O-NE2 3.08Å; A584-Q613 PolarHBondContact O-OE1 3.43Å; A586-Q613 PolarHBondContact O-NE2 3.36Å; A608-Q613 PolarHBondContact O-NE2 2.97Å; A608-Q613 VanDerWaalsContact O-NE2 3.09Å; R610-Q613 VanDerWaalsContact O-CB 3.25Å; R610-Q613 WeakPolarHBondContact O-CB 3.41Å; R610-Q613 PolarHBondContact O-N 2.75Å; Q613-K615 VanDerWaalsContact CD-O 3.26Å; Q613-K615 WeakPolarHBondContact CG-O 3.09Å; Q613-K615 PolarHBondContact OE1-O 3.02Å; Q613-V617 HydrophobicContact CG-CG2 3.78Å
614	K	87.3	Confident	89.5	Confident	193 Å²	193	30.8 Å²	30.8	84%	0.839	16%	0.157	S	C	*	.			trans	-108.7	-16	-179.3	-62.3	-177	-178.3	180	0	113.2
615	K	89.9	Confident	89.7	Confident	100 Å²	100	32.7 Å²	32.7	44%	0.435	17%	0.167	S	C	.	.	S	Bend	trans	-115.6	151.9	-177.9	-65.9	-178.2	178.3	-176.7	0	110.8	P408 D587 Q613	P408-K615 WeakPolarHBondContact CB-O 3.43Å; D587-K615 HydrophobicContact CB-CB 3.88Å; D587-K615 HydrophobicContact CB-CD 3.94Å; Q613-K615 VanDerWaalsContact CD-O 3.26Å; Q613-K615 WeakPolarHBondContact CG-O 3.09Å; Q613-K615 PolarHBondContact OE1-O 3.02Å
616	P	92.4	Very high	89.5	Confident	81 Å²	81	34.4 Å²	34.4	53%	0.526	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-60.4	137.4	169.4	27	-33.9	0	0	0	110.2	P408 P409	P408-P616 HydrophobicContact CB-CB 4.48Å; P409-P616 WeakPolarHBondContact O-CA 3.26Å
617	V	94.6	Very high	89.7	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.9	-177.1	179.6	0	0	0	0	110.1	P409 K410 K411 D587 V589 A608 H609 Q613 V619	P409-V617 PolarHBondContact O-N 3.21Å; P409-V617 VanDerWaalsContact O-N 3.08Å; K410-V617 CarbonylContact C-O 3.53Å; K410-V617 VanDerWaalsContact CA-O 3.23Å; K410-V617 WeakPolarHBondContact CA-O 3.49Å; K410-V617 HydrophobicContact CB-CB 4.26Å; K411-V617 PolarHBondContact N-O 3.37Å; D587-V617 CarbonylContact O-C 3.48Å; D587-V617 WeakPolarHBondContact O-CA 3.42Å; V589-V617 HydrophobicContact CG2-CG1 4.23Å; A608-V617 HydrophobicContact CB-CG1 4.35Å; H609-V617 HydrophobicContact CB-CB 4.46Å; H609-V617 HydrophobicContact CB-CG2 4.25Å; Q613-V617 HydrophobicContact CG-CG2 3.78Å; V617-V619 HydrophobicContact CG1-CG2 4.27Å
618	R	95.7	Very high	89.9	Confident	68 Å²	68	34 Å²	34	26%	0.257	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.5	173.1	-60.2	178.5	-61.6	-175.7	-3.1	109.6	S503 D587 V588 V589 F620	S503-R618 PolarHBondContact OG-NH2 3.26Å; S503-R618 VanDerWaalsContact OG-NH2 3.15Å; D587-R618 PolarHBondContact O-N 3.08Å; V588-R618 CarbonylContact C-O 3.56Å; V588-R618 WeakPolarHBondContact CA-O 3.46Å; V589-R618 PolarHBondContact N-O 3.14Å; R618-F620 HydrophobicContact CB-CE2 3.94Å; R618-F620 HydrophobicContact CB-CZ 4.06Å
619	V	96.3	Very high	89.9	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.9	176.2	-173.9	0	0	0	0	108.5	K411 E412 I413 V589 L591 M605 V617	K411-V619 PolarHBondContact O-N 2.79Å; E412-V619 CarbonylContact C-O 3.58Å; E412-V619 WeakPolarHBondContact CA-O 3.29Å; E412-V619 HydrophobicContact CB-CB 4.23Å; E412-V619 HydrophobicContact CG-CB 4.29Å; E412-V619 HydrophobicContact CG-CG1 4.28Å; I413-V619 PolarHBondContact N-O 2.93Å; V589-V619 HydrophobicContact CB-CG1 4.32Å; V589-V619 HydrophobicContact CB-CG2 4.22Å; V589-V619 HydrophobicContact CG1-CG1 4.33Å; V589-V619 CarbonylContact O-C 3.54Å; V589-V619 VanDerWaalsContact O-CA 3.26Å; V589-V619 WeakPolarHBondContact O-CA 3.31Å; L591-V619 HydrophobicContact CG-CG1 4.45Å; M605-V619 HydrophobicContact CE-CG1 3.91Å; M605-V619 HydrophobicContact CG-CG1 4.02Å; M605-V619 HydrophobicContact CG-CG2 4.2Å; M605-V619 HydrophobicContact SD-CG1 4.02Å; M605-V619 HydrophobicContact SD-CG2 4.22Å; V617-V619 HydrophobicContact CG1-CG2 4.27Å
620	F	96.9	Very high	89.9	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.9	174.9	-59.1	-72.8	0	0	0	109.3	I413 I415 L494 L498 V588 V589 I590 L591 R618 L693	I413-F620 HydrophobicContact CB-CD1 4.08Å; I413-F620 HydrophobicContact CB-CE1 4.36Å; I413-F620 HydrophobicContact CD1-CD1 4.46Å; I413-F620 HydrophobicContact CD1-CE1 3.88Å; I413-F620 HydrophobicContact CG2-CD1 4.49Å; I413-F620 WeakPolarHBondContact O-CA 3.21Å; I415-F620 HydrophobicContact CD1-CB 4.01Å; I415-F620 HydrophobicContact CD1-CD1 3.87Å; I415-F620 HydrophobicContact CD1-CG 4.26Å; L494-F620 HydrophobicContact CD1-CE2 4.29Å; L494-F620 HydrophobicContact CD1-CZ 4.38Å; L494-F620 HydrophobicContact CD2-CB 4.28Å; L494-F620 HydrophobicContact CD2-CD2 4.02Å; L494-F620 HydrophobicContact CD2-CG 4.08Å; L498-F620 HydrophobicContact CD2-CE2 4.49Å; V588-F620 HydrophobicContact CG1-CD2 3.67Å; V588-F620 HydrophobicContact CG1-CE2 3.65Å; V589-F620 PolarHBondContact O-N 2.88Å; I590-F620 CarbonylContact C-O 3.44Å; I590-F620 WeakPolarHBondContact CA-O 3.48Å; I590-F620 HydrophobicContact CG1-CB 4.41Å; I590-F620 HydrophobicContact CG1-CD2 4.38Å; L591-F620 PolarHBondContact N-O 3.39Å; R618-F620 HydrophobicContact CB-CE2 3.94Å; R618-F620 HydrophobicContact CB-CZ 4.06Å; F620-L693 HydrophobicContact CD1-CD2 3.76Å; F620-L693 HydrophobicContact CE1-CD1 4.43Å; F620-L693 HydrophobicContact CE1-CD2 3.5Å; F620-L693 VanDerWaalsContact CE1-CD2 3.5Å; F620-L693 HydrophobicContact CZ-CD2 4.44Å
621	R	96.3	Very high	89.8	Confident	10 Å²	10	34.3 Å²	34.3	4%	0.038	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.6	175.5	-177.2	-176.9	-63.7	-88.6	3.9	109.2	E412 I413 K414 I415 L591 S594 D601 M605 I623	E412-R621 IonicContact OE1-CZ 2.68Å; E412-R621 IonicContact OE1-NE 3.67Å; E412-R621 PolarHBondContact OE1-NE 3.3Å; E412-R621 IonicContact OE1-NH2 3.47Å; E412-R621 PolarHBondContact OE1-NH2 3.45Å; E412-R621 VanDerWaalsContact OE1-NH2 3.15Å; I413-R621 PolarHBondContact O-N 3.29Å; K414-R621 HydrophobicContact CG-CB 4.37Å; I415-R621 PolarHBondContact N-O 3.08Å; L591-R621 HydrophobicContact CB-CB 4.49Å; L591-R621 HydrophobicContact CB-CG 4.37Å; L591-R621 VanDerWaalsContact CD1-CZ 3.43Å; L591-R621 VanDerWaalsContact CD1-NH2 3.34Å; S594-R621 VanDerWaalsContact CB-NH1 3.28Å; S594-R621 PolarHBondContact OG-NH1 3.45Å; D601-R621 IonicContact OD2-CZ 3.92Å; D601-R621 IonicContact OD2-NH1 2.78Å; D601-R621 PolarHBondContact OD2-NH1 3.45Å; D601-R621 IonicContact OD2-NH2 2.74Å; M605-R621 VanDerWaalsContact CE-NH2 3.26Å; R621-I623 HydrophobicContact CG-CD1 4.32Å; R621-I623 HydrophobicContact CG-CG1 4.03Å
622	L	96.5	Very high	90.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126.8	177.9	-52.8	-173.2	0	0	0	109.6	I415 L417 K487 I590 L591 Y592	I415-L622 HydrophobicContact CB-CD2 4.1Å; I415-L622 HydrophobicContact CD1-CD2 3.9Å; I415-L622 HydrophobicContact CG1-CD2 4.42Å; L417-L622 HydrophobicContact CD1-CB 4.31Å; L417-L622 HydrophobicContact CD1-CD2 4.36Å; K487-L622 HydrophobicContact CB-CD1 4.24Å; K487-L622 HydrophobicContact CD-CB 4.29Å; K487-L622 HydrophobicContact CG-CB 4.37Å; I590-L622 HydrophobicContact CG2-CD1 4.26Å; I590-L622 HydrophobicContact CG2-CG 4.24Å; L591-L622 PolarHBondContact O-N 3.11Å; Y592-L622 HydrophobicContact CD2-CD1 4.02Å; Y592-L622 HydrophobicContact CE2-CD1 4.36Å; Y592-L622 HydrophobicContact CG-CD1 4.45Å
623	I	94.8	Very high	90.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.4	-177.6	-51.9	177.4	0	0	0	107.9	K414 I415 Y416 L417 R621 D625 E629 E630 V633	K414-I623 HydrophobicContact CB-CD1 3.93Å; K414-I623 HydrophobicContact CD-CD1 4.3Å; K414-I623 HydrophobicContact CG-CD1 4.17Å; I415-I623 PolarHBondContact O-N 2.97Å; Y416-I623 CarbonylContact C-O 3.5Å; Y416-I623 WeakPolarHBondContact CA-O 3.49Å; Y416-I623 HydrophobicContact CD1-CB 4.25Å; Y416-I623 HydrophobicContact CD1-CG2 4.14Å; Y416-I623 HydrophobicContact CE1-CB 4.44Å; Y416-I623 HydrophobicContact CE1-CD1 4.15Å; Y416-I623 HydrophobicContact CE1-CG2 4.13Å; Y416-I623 HydrophobicContact CE2-CD1 4.46Å; L417-I623 PolarHBondContact N-O 3.42Å; R621-I623 HydrophobicContact CG-CD1 4.32Å; R621-I623 HydrophobicContact CG-CG1 4.03Å; I623-D625 PolarHBondContact O-N 2.77Å; I623-E629 HydrophobicContact CG2-CB 4.36Å; I623-E630 HydrophobicContact CG2-CB 4.13Å; I623-V633 HydrophobicContact CD1-CB 4.04Å; I623-V633 HydrophobicContact CD1-CG1 3.78Å; I623-V633 HydrophobicContact CD1-CG2 3.87Å; I623-V633 HydrophobicContact CG1-CG2 4.09Å
624	T	92.4	Very high	90.4	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	114.5	172.3	-40.8	0	0	0	0	109.1	L417 L419 C460 K487 T627 E629	L417-T624 CarbonylContact O-C 3.54Å; L417-T624 WeakPolarHBondContact O-CA 3.42Å; L419-T624 HydrophobicContact CD2-CG2 3.56Å; L419-T624 HydrophobicContact CG-CG2 3.79Å; C460-T624 WeakPolarHBondContact CB-OG1 3.16Å; K487-T624 VanDerWaalsContact CE-OG1 3.3Å; K487-T624 WeakPolarHBondContact CE-OG1 3.48Å; T624-T627 HydrophobicContact CG2-CG2 3.64Å; T624-T627 PolarHBondContact O-OG1 3.29Å; T624-E629 WeakPolarHBondContact CB-OE2 3.46Å; T624-E629 PolarHBondContact N-OE2 3.01Å; T624-E629 VanDerWaalsContact N-OE2 3.16Å; T624-E629 PolarHBondContact OG1-OE2 3.39Å
625	D	87.8	Confident	90	Very high	40 Å²	40	24.1 Å²	24.1	21%	0.214	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	145.5	-174.2	-151.7	29.6	0	0	0	110.9	Y416 L417 I623 T627 K699	Y416-D625 HydrophobicContact CD1-CB 4.5Å; Y416-D625 VanDerWaalsContact CD1-OD1 3.25Å; Y416-D625 WeakPolarHBondContact CD1-OD1 3.19Å; L417-D625 PolarHBondContact O-N 3.37Å; I623-D625 PolarHBondContact O-N 2.77Å; D625-T627 WeakPolarHBondContact O-CG2 3.31Å; D625-T627 PolarHBondContact O-N 2.86Å; D625-K699 IonicContact OD1-NZ 2.98Å; D625-K699 PolarHBondContact OD1-NZ 3.01Å; D625-K699 IonicContact OD2-NZ 3.38Å
626	N	84.9	Confident	89.6	Confident	38 Å²	38	19.7 Å²	19.7	20%	0.203	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	30.3	180	-53.1	-63.7	0	0	0	114.6	E630 G672 H675	N626-E630 WeakPolarHBondContact CA-OE2 3.15Å; N626-E630 PolarHBondContact N-OE2 2.9Å; N626-G672 VanDerWaalsContact O-CA 3.29Å; N626-G672 WeakPolarHBondContact O-CA 3.24Å; N626-H675 HydrophobicContact CB-CB 3.7Å; N626-H675 WeakPolarHBondContact CB-ND1 3.21Å; N626-H675 VanDerWaalsContact CG-CD2 3.46Å; N626-H675 PolarHBondContact ND2-CE1 3.36Å; N626-H675 PolarHBondContact ND2-NE2 3.13Å
627	T	90.6	Very high	89.1	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-121.1	-176	176.4	72.3	0	0	0	0	112.2	L419 Y427 T624 D625 E629	L419-T627 HydrophobicContact CD1-CG2 4.04Å; L419-T627 HydrophobicContact CD2-CG2 4.32Å; L419-T627 HydrophobicContact CG-CG2 4.25Å; Y427-T627 HydrophobicContact CE2-CG2 4.17Å; T624-T627 HydrophobicContact CG2-CG2 3.64Å; T624-T627 PolarHBondContact O-OG1 3.29Å; D625-T627 WeakPolarHBondContact O-CG2 3.31Å; D625-T627 PolarHBondContact O-N 2.86Å; T627-E629 PolarHBondContact O-N 2.92Å; T627-E629 PolarHBondContact OG1-N 3.21Å; T627-E629 VanDerWaalsContact OG1-N 3.15Å
628	V	87.3	Confident	88.3	Confident	0 Å²	0	18 Å²	18	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.4	-30.8	169.3	-67.1	0	0	0	0	112.5	Y427 L453 L456 R457 E630 R631 I632 I669	Y427-V628 PolarHBondContact OH-N 2.9Å; L453-V628 HydrophobicContact CG-CG1 4.39Å; L456-V628 HydrophobicContact CB-CG1 4.36Å; L456-V628 HydrophobicContact CB-CG2 3.8Å; L456-V628 HydrophobicContact CD1-CG1 3.72Å; R457-V628 HydrophobicContact CG-CG2 4.24Å; V628-E630 PolarHBondContact O-N 2.95Å; V628-R631 PolarHBondContact O-N 3.3Å; V628-I632 VanDerWaalsContact O-CG1 3.26Å; V628-I632 WeakPolarHBondContact O-CG1 3.18Å; V628-I632 PolarHBondContact O-N 3.18Å; V628-I632 VanDerWaalsContact O-N 3.12Å; V628-I669 HydrophobicContact CG1-CG1 4.3Å
629	E	88.5	Confident	87.3	Confident	8 Å²	8	16.9 Å²	16.9	4%	0.037	8%	0.079	C	C	.	.	H	α-helix	trans	-65.2	-40.2	-176.1	-69	-162.8	130.7	0	0	113	C460 K487 I623 T624 T627 R631 I632 V633	C460-E629 HydrophobicContact CB-CG 3.94Å; K487-E629 WeakPolarHBondContact CE-OE2 3.16Å; K487-E629 IonicContact NZ-OE1 3.69Å; K487-E629 PolarHBondContact NZ-OE1 3.14Å; K487-E629 IonicContact NZ-OE2 3.72Å; K487-E629 PolarHBondContact NZ-OE2 3.39Å; I623-E629 HydrophobicContact CG2-CB 4.36Å; T624-E629 WeakPolarHBondContact CB-OE2 3.46Å; T624-E629 PolarHBondContact N-OE2 3.01Å; T624-E629 VanDerWaalsContact N-OE2 3.16Å; T624-E629 PolarHBondContact OG1-OE2 3.39Å; T627-E629 PolarHBondContact O-N 2.92Å; T627-E629 PolarHBondContact OG1-N 3.21Å; T627-E629 VanDerWaalsContact OG1-N 3.15Å; E629-R631 VanDerWaalsContact C-N 3.29Å; E629-R631 PolarHBondContact O-N 3.37Å; E629-I632 WeakPolarHBondContact O-CB 3.15Å; E629-I632 PolarHBondContact O-N 2.98Å; E629-I632 VanDerWaalsContact O-N 3.15Å; E629-V633 PolarHBondContact O-N 2.99Å
630	E	88.1	Confident	86.3	Confident	18 Å²	18	18.6 Å²	18.6	8%	0.084	9%	0.088	C	C	.	.	H	α-helix	trans	-57	-45.9	177	-179.8	170.2	-149.1	0	0	111	Y416 I623 N626 V628 I632 V633 E634 H671 K699	Y416-E630 HydrophobicContact CE1-CG 4.19Å; I623-E630 HydrophobicContact CG2-CB 4.13Å; N626-E630 WeakPolarHBondContact CA-OE2 3.15Å; N626-E630 PolarHBondContact N-OE2 2.9Å; V628-E630 PolarHBondContact O-N 2.95Å; E630-I632 VanDerWaalsContact C-N 3.34Å; E630-I632 PolarHBondContact O-N 3.4Å; E630-V633 PolarHBondContact O-N 3.25Å; E630-E634 WeakPolarHBondContact O-CG 3.36Å; E630-E634 PolarHBondContact O-N 2.95Å; E630-H671 IonicContact OE2-CE1 2.74Å; E630-K699 IonicContact OE1-NZ 3.21Å
631	R	83.6	Confident	85.2	Confident	39 Å²	39	22.5 Å²	22.5	15%	0.147	10%	0.102	C	C	.	.	H	α-helix	trans	-67.1	-33.3	178.1	-59.9	-57.3	-174.2	-175.7	-0	113.4	V628 E629 V633 E634 R635 M668 H671 M720	V628-R631 PolarHBondContact O-N 3.3Å; E629-R631 VanDerWaalsContact C-N 3.29Å; E629-R631 PolarHBondContact O-N 3.37Å; R631-V633 VanDerWaalsContact C-N 3.35Å; R631-E634 WeakPolarHBondContact CD-OE2 3.39Å; R631-E634 IonicContact CZ-OE2 3.17Å; R631-E634 IonicContact NE-OE2 3.86Å; R631-E634 IonicContact NH1-OE1 2.75Å; R631-E634 IonicContact NH1-OE2 2.64Å; R631-E634 PolarHBondContact NH1-OE2 3.08Å; R631-R635 WeakPolarHBondContact O-CB 3.5Å; R631-R635 PolarHBondContact O-N 2.79Å; R631-R635 VanDerWaalsContact O-N 3.1Å; R631-M668 HydrophobicContact CB-CB 4.21Å; R631-M668 HydrophobicContact CB-CG 3.61Å; R631-M668 HydrophobicContact CB-SD 4.06Å; R631-M668 HydrophobicContact CG-CG 4.26Å; R631-H671 HydrophobicContact CG-CB 4.22Å; R631-H671 PolarHBondContact NE-CD2 2.99Å; R631-H671 PolarHBondContact NE-CE1 3.16Å; R631-H671 PolarHBondContact NE-ND1 3.27Å; R631-H671 PolarHBondContact NE-NE2 2.89Å; R631-H671 PolarHBondContact NH2-CD2 3.34Å; R631-H671 PolarHBondContact NH2-NE2 3.42Å; R631-M720 PolarHBondContact NH1-SD 2.85Å
632	I	83.5	Confident	83.8	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-61.7	-47.1	174.4	-65.3	172.1	0	0	0	109.8	L453 R457 W596 V628 E629 E630 R635 A636 M668	L453-I632 HydrophobicContact CD2-CD1 4.34Å; R457-I632 HydrophobicContact CG-CD1 4.17Å; W596-I632 HydrophobicContact CD2-CG2 4.44Å; W596-I632 HydrophobicContact CE3-CG1 4.14Å; W596-I632 HydrophobicContact CE3-CG2 4.07Å; W596-I632 HydrophobicContact CH2-CD1 3.48Å; W596-I632 VanDerWaalsContact CH2-CD1 3.48Å; W596-I632 HydrophobicContact CH2-CG1 3.44Å; W596-I632 VanDerWaalsContact CH2-CG1 3.44Å; W596-I632 HydrophobicContact CZ2-CD1 3.61Å; W596-I632 HydrophobicContact CZ2-CG1 4.08Å; W596-I632 HydrophobicContact CZ3-CB 4.33Å; W596-I632 HydrophobicContact CZ3-CD1 3.98Å; W596-I632 HydrophobicContact CZ3-CG1 3.47Å; W596-I632 VanDerWaalsContact CZ3-CG1 3.47Å; W596-I632 HydrophobicContact CZ3-CG2 4.24Å; V628-I632 VanDerWaalsContact O-CG1 3.26Å; V628-I632 WeakPolarHBondContact O-CG1 3.18Å; V628-I632 PolarHBondContact O-N 3.18Å; V628-I632 VanDerWaalsContact O-N 3.12Å; E629-I632 WeakPolarHBondContact O-CB 3.15Å; E629-I632 PolarHBondContact O-N 2.98Å; E629-I632 VanDerWaalsContact O-N 3.15Å; E630-I632 VanDerWaalsContact C-N 3.34Å; E630-I632 PolarHBondContact O-N 3.4Å; I632-R635 PolarHBondContact O-N 2.96Å; I632-A636 WeakPolarHBondContact O-CB 3.41Å; I632-A636 PolarHBondContact O-N 3Å; I632-M668 HydrophobicContact CG1-SD 4.4Å
633	V	87.3	Confident	82.2	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-68.1	-45.2	-178.9	175.9	0	0	0	0	111.4	K414 I623 E629 E630 R631 R635 A636 E637	K414-V633 HydrophobicContact CD-CG1 4.42Å; I623-V633 HydrophobicContact CD1-CB 4.04Å; I623-V633 HydrophobicContact CD1-CG1 3.78Å; I623-V633 HydrophobicContact CD1-CG2 3.87Å; I623-V633 HydrophobicContact CG1-CG2 4.09Å; E629-V633 PolarHBondContact O-N 2.99Å; E630-V633 PolarHBondContact O-N 3.25Å; R631-V633 VanDerWaalsContact C-N 3.35Å; V633-R635 VanDerWaalsContact C-N 3.3Å; V633-R635 PolarHBondContact O-N 3.31Å; V633-A636 WeakPolarHBondContact O-CB 3.1Å; V633-A636 PolarHBondContact O-N 2.77Å; V633-A636 VanDerWaalsContact O-N 3.12Å; V633-E637 HydrophobicContact CG1-CG 4.42Å; V633-E637 WeakPolarHBondContact O-CG 3.16Å; V633-E637 PolarHBondContact O-N 3.1Å
634	E	83.9	Confident	80.8	Confident	35 Å²	35	26 Å²	26	16%	0.164	12%	0.124	C	C	.	.	H	α-helix	trans	-55.7	-45.3	176.4	-75.5	-178.1	154	0	0	112.1	E630 R631 E637 I638 M703	E630-E634 WeakPolarHBondContact O-CG 3.36Å; E630-E634 PolarHBondContact O-N 2.95Å; R631-E634 WeakPolarHBondContact CD-OE2 3.39Å; R631-E634 IonicContact CZ-OE2 3.17Å; R631-E634 IonicContact NE-OE2 3.86Å; R631-E634 IonicContact NH1-OE1 2.75Å; R631-E634 IonicContact NH1-OE2 2.64Å; R631-E634 PolarHBondContact NH1-OE2 3.08Å; E634-E637 PolarHBondContact O-N 3.09Å; E634-I638 WeakPolarHBondContact O-CG1 3.44Å; E634-I638 PolarHBondContact O-N 3Å; E634-M703 HydrophobicContact CG-SD 4.39Å
635	R	79.2	Confident	79.4	Confident	51 Å²	51	26.9 Å²	26.9	19%	0.192	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-44.2	176.2	-176.2	-171.5	-175.6	131.7	6.3	111.9	R631 I632 V633 E637 I638 K639 L660 E664	R631-R635 WeakPolarHBondContact O-CB 3.5Å; R631-R635 PolarHBondContact O-N 2.79Å; R631-R635 VanDerWaalsContact O-N 3.1Å; I632-R635 PolarHBondContact O-N 2.96Å; V633-R635 VanDerWaalsContact C-N 3.3Å; V633-R635 PolarHBondContact O-N 3.31Å; R635-E637 PolarHBondContact O-N 2.98Å; R635-I638 PolarHBondContact O-N 3.03Å; R635-K639 WeakPolarHBondContact O-CB 3.15Å; R635-K639 PolarHBondContact O-N 3.12Å; R635-L660 VanDerWaalsContact CZ-CD1 3.49Å; R635-L660 VanDerWaalsContact NH1-CG 3.31Å; R635-E664 IonicContact CZ-OE1 3.78Å; R635-E664 IonicContact CZ-OE2 3.92Å; R635-E664 VanDerWaalsContact NH1-CD 3.27Å; R635-E664 IonicContact NH1-OE1 2.81Å; R635-E664 IonicContact NH1-OE2 3.08Å; R635-E664 PolarHBondContact NH1-OE2 3.46Å; R635-E664 IonicContact NH2-OE1 3.88Å; R635-E664 IonicContact NH2-OE2 3.48Å; R635-E664 PolarHBondContact NH2-OE2 2.73Å
636	A	80	Confident	77.9	Confident	7 Å²	7	25.6 Å²	25.6	6%	0.058	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-38.8	179.4	0	0	0	0	0	111	P598 I632 V633 K639 L640	P598-A636 HydrophobicContact CB-CB 3.99Å; P598-A636 HydrophobicContact CG-CB 4.23Å; P598-A636 WeakPolarHBondContact CG-O 3.25Å; I632-A636 WeakPolarHBondContact O-CB 3.41Å; I632-A636 PolarHBondContact O-N 3Å; V633-A636 WeakPolarHBondContact O-CB 3.1Å; V633-A636 PolarHBondContact O-N 2.77Å; V633-A636 VanDerWaalsContact O-N 3.12Å; A636-K639 PolarHBondContact O-N 2.97Å; A636-L640 WeakPolarHBondContact O-CG 3Å; A636-L640 PolarHBondContact O-N 3.23Å
637	E	83.1	Confident	76.6	Confident	25 Å²	25	26.2 Å²	26.2	12%	0.117	13%	0.125	C	C	.	.	H	α-helix	trans	-68.5	-46.4	175.3	-71.3	-62.6	163.9	0	0	113.5	K414 V633 E634 R635 K639 L640 R641 M703 L707	K414-E637 WeakPolarHBondContact CE-OE1 3.16Å; K414-E637 VanDerWaalsContact NZ-CG 3.28Å; K414-E637 IonicContact NZ-OE1 2.69Å; K414-E637 PolarHBondContact NZ-OE1 3.28Å; K414-E637 IonicContact NZ-OE2 3.92Å; V633-E637 HydrophobicContact CG1-CG 4.42Å; V633-E637 WeakPolarHBondContact O-CG 3.16Å; V633-E637 PolarHBondContact O-N 3.1Å; E634-E637 PolarHBondContact O-N 3.09Å; R635-E637 PolarHBondContact O-N 2.98Å; E637-K639 PolarHBondContact O-N 3.03Å; E637-L640 PolarHBondContact O-N 3.13Å; E637-R641 WeakPolarHBondContact O-CB 3.23Å; E637-R641 PolarHBondContact O-N 2.77Å; E637-M703 HydrophobicContact CG-CE 4.41Å; E637-L707 HydrophobicContact CB-CD1 3.75Å; E637-L707 HydrophobicContact CG-CD1 4.48Å
638	I	77.9	Confident	74.9	Confident	23 Å²	23	33.5 Å²	33.5	12%	0.118	16%	0.159	C	C	.	.	H	α-helix	trans	-55.9	-42.2	174.8	-68.8	164.1	0	0	0	109.5	E634 R635 R641 L642 L707 L715 F718	E634-I638 WeakPolarHBondContact O-CG1 3.44Å; E634-I638 PolarHBondContact O-N 3Å; R635-I638 PolarHBondContact O-N 3.03Å; I638-R641 PolarHBondContact O-N 3.35Å; I638-L642 HydrophobicContact CG2-CD1 3.94Å; I638-L642 HydrophobicContact CG2-CG 4.43Å; I638-L642 WeakPolarHBondContact O-CB 3.45Å; I638-L642 WeakPolarHBondContact O-CG 3.31Å; I638-L642 PolarHBondContact O-N 2.83Å; I638-L707 HydrophobicContact CG1-CD2 3.77Å; I638-L715 HydrophobicContact CG1-CD2 4.38Å; I638-L715 HydrophobicContact CG2-CD2 4.18Å; I638-F718 HydrophobicContact CD1-CD1 3.73Å; I638-F718 HydrophobicContact CD1-CE1 3.91Å
639	K	73.5	Confident	73.1	Confident	45 Å²	45	37.8 Å²	37.8	20%	0.196	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-46.7	177.1	-177.4	174.9	176.2	175.2	0	112.6	P598 R635 A636 E637 R641 L642 D643 N658	P598-K639 HydrophobicContact CG-CB 4.4Å; P598-K639 HydrophobicContact CG-CD 4.13Å; P598-K639 HydrophobicContact CG-CG 4.33Å; R635-K639 WeakPolarHBondContact O-CB 3.15Å; R635-K639 PolarHBondContact O-N 3.12Å; A636-K639 PolarHBondContact O-N 2.97Å; E637-K639 PolarHBondContact O-N 3.03Å; K639-R641 PolarHBondContact O-N 3.06Å; K639-L642 PolarHBondContact O-N 2.88Å; K639-D643 WeakPolarHBondContact O-CB 3.4Å; K639-D643 PolarHBondContact O-N 3.42Å; K639-N658 WeakPolarHBondContact CE-OD1 3.35Å; K639-N658 PolarHBondContact NZ-OD1 3.23Å
640	L	76.6	Confident	71	Confident	38 Å²	38	39.7 Å²	39.7	20%	0.199	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-37.3	175.1	-76.3	179.3	0	0	0	112.1	P598 L602 A636 E637 S644	P598-L640 HydrophobicContact CB-CD1 3.69Å; P598-L640 HydrophobicContact CB-CD2 3.68Å; P598-L640 HydrophobicContact CB-CG 3.45Å; P598-L640 VanDerWaalsContact CB-CG 3.45Å; P598-L640 HydrophobicContact CG-CD1 4.49Å; P598-L640 HydrophobicContact CG-CD2 3.83Å; P598-L640 HydrophobicContact CG-CG 3.72Å; L602-L640 HydrophobicContact CD1-CD1 4.19Å; L602-L640 HydrophobicContact CD1-CD2 3.48Å; L602-L640 VanDerWaalsContact CD1-CD2 3.48Å; L602-L640 HydrophobicContact CD1-CG 4.5Å; L602-L640 HydrophobicContact CG-CD1 4.49Å; L602-L640 HydrophobicContact CG-CD2 4.47Å; A636-L640 WeakPolarHBondContact O-CG 3Å; A636-L640 PolarHBondContact O-N 3.23Å; E637-L640 PolarHBondContact O-N 3.13Å; L640-S644 WeakPolarHBondContact O-CB 3.5Å; L640-S644 PolarHBondContact O-N 2.79Å; L640-S644 PolarHBondContact O-OG 3.06Å
641	R	73.9	Confident	68.6	Low	86 Å²	86	45.3 Å²	45.3	33%	0.325	22%	0.221	S	C	.	.	H	α-helix	trans	-68	-48.4	178	-171.3	61.1	176.1	176.2	2.4	111.2	E637 I638 K639 D643 S644 I645 L715	E637-R641 WeakPolarHBondContact O-CB 3.23Å; E637-R641 PolarHBondContact O-N 2.77Å; I638-R641 PolarHBondContact O-N 3.35Å; K639-R641 PolarHBondContact O-N 3.06Å; R641-D643 VanDerWaalsContact C-N 3.33Å; R641-D643 PolarHBondContact O-N 3.24Å; R641-S644 PolarHBondContact O-N 3.08Å; R641-S644 VanDerWaalsContact O-N 3.14Å; R641-S644 PolarHBondContact O-OG 2.89Å; R641-I645 HydrophobicContact CG-CD1 4.01Å; R641-I645 WeakPolarHBondContact O-CG1 3.34Å; R641-I645 PolarHBondContact O-N 3.09Å; R641-L715 HydrophobicContact CG-CD1 3.86Å
642	L	65.8	Low	66.8	Low	32 Å²	32	43.9 Å²	43.9	17%	0.168	22%	0.217	C	C	.	.	H	α-helix	trans	-56.8	-47.1	173.8	-76.3	170.7	0	0	0	111.2	I638 K639 S644 I645 V646 L715 R716	I638-L642 HydrophobicContact CG2-CD1 3.94Å; I638-L642 HydrophobicContact CG2-CG 4.43Å; I638-L642 WeakPolarHBondContact O-CB 3.45Å; I638-L642 WeakPolarHBondContact O-CG 3.31Å; I638-L642 PolarHBondContact O-N 2.83Å; K639-L642 PolarHBondContact O-N 2.88Å; L642-S644 PolarHBondContact O-N 2.7Å; L642-I645 PolarHBondContact O-N 3.42Å; L642-V646 VanDerWaalsContact O-CB 3.28Å; L642-V646 WeakPolarHBondContact O-CB 3.47Å; L642-V646 WeakPolarHBondContact O-CG2 3.29Å; L642-V646 PolarHBondContact O-N 2.96Å; L642-L715 HydrophobicContact CD2-CB 3.75Å; L642-L715 HydrophobicContact CG-CB 4.13Å; L642-R716 HydrophobicContact CD2-CG 3.94Å
643	D	63.9	Low	65	Low	16 Å²	16	45.2 Å²	45.2	9%	0.086	22%	0.223	C	C	.	.	H	α-helix	trans	-53.5	-53	172.9	-78.2	2.1	0	0	0	109.8	Q599 K639 R641 I645 V646 I647 I653	Q599-D643 PolarHBondContact NE2-OD2 2.86Å; K639-D643 WeakPolarHBondContact O-CB 3.4Å; K639-D643 PolarHBondContact O-N 3.42Å; R641-D643 VanDerWaalsContact C-N 3.33Å; R641-D643 PolarHBondContact O-N 3.24Å; D643-I645 PolarHBondContact O-N 3.16Å; D643-V646 PolarHBondContact O-N 2.91Å; D643-I647 HydrophobicContact CB-CD1 4.46Å; D643-I647 WeakPolarHBondContact O-CB 3.18Å; D643-I647 WeakPolarHBondContact O-CD1 3.08Å; D643-I647 WeakPolarHBondContact O-CG1 3.25Å; D643-I647 PolarHBondContact O-N 3.44Å; D643-I653 WeakPolarHBondContact OD1-CD1 3.41Å
644	S	64.9	Low	63.1	Low	37 Å²	37	50.6 Å²	50.6	26%	0.259	25%	0.252	S	S	.	.	H	α-helix	trans	-60.2	-40.3	-178.5	73.3	0	0	0	0	114.1	L640 R641 L642 I647 Q648	L640-S644 WeakPolarHBondContact O-CB 3.5Å; L640-S644 PolarHBondContact O-N 2.79Å; L640-S644 PolarHBondContact O-OG 3.06Å; R641-S644 PolarHBondContact O-N 3.08Å; R641-S644 VanDerWaalsContact O-N 3.14Å; R641-S644 PolarHBondContact O-OG 2.89Å; L642-S644 PolarHBondContact O-N 2.7Å; S644-I647 PolarHBondContact O-N 2.87Å; S644-Q648 WeakPolarHBondContact O-CG 3.47Å; S644-Q648 PolarHBondContact O-N 2.92Å
645	I	63.5	Low	61.4	Low	21 Å²	21	52.5 Å²	52.5	11%	0.108	26%	0.261	C	S	.	.	H	α-helix	trans	-66.8	-46.7	179.5	-69.2	166.7	0	0	0	110.1	R641 L642 D643 I647 Q648 Q649 E712 L715	R641-I645 HydrophobicContact CG-CD1 4.01Å; R641-I645 WeakPolarHBondContact O-CG1 3.34Å; R641-I645 PolarHBondContact O-N 3.09Å; L642-I645 PolarHBondContact O-N 3.42Å; D643-I645 PolarHBondContact O-N 3.16Å; I645-I647 VanDerWaalsContact C-N 3.26Å; I645-I647 PolarHBondContact O-N 3.35Å; I645-Q648 PolarHBondContact O-N 2.93Å; I645-Q649 HydrophobicContact CG2-CG 4.41Å; I645-Q649 WeakPolarHBondContact O-CB 3.27Å; I645-Q649 WeakPolarHBondContact O-CG 3.46Å; I645-Q649 PolarHBondContact O-N 3.11Å; I645-E712 HydrophobicContact CG2-CG 4.14Å; I645-L715 HydrophobicContact CD1-CD1 3.89Å
646	V	57.1	Low	59.8	Low	13 Å²	13	58.2 Å²	58.2	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-41.4	178.1	161.5	0	0	0	0	110.3	L642 D643 G650 R651 I653	L642-V646 VanDerWaalsContact O-CB 3.28Å; L642-V646 WeakPolarHBondContact O-CB 3.47Å; L642-V646 WeakPolarHBondContact O-CG2 3.29Å; L642-V646 PolarHBondContact O-N 2.96Å; D643-V646 PolarHBondContact O-N 2.91Å; V646-G650 WeakPolarHBondContact O-CA 3.22Å; V646-G650 PolarHBondContact O-N 3.05Å; V646-R651 WeakPolarHBondContact CG1-O 3.48Å; V646-R651 PolarHBondContact O-N 3.07Å; V646-R651 VanDerWaalsContact O-N 3.08Å; V646-I653 HydrophobicContact CB-CD1 3.8Å; V646-I653 HydrophobicContact CB-CG1 3.83Å; V646-I653 HydrophobicContact CG1-CD1 3.58Å; V646-I653 HydrophobicContact CG1-CG1 3.54Å; V646-I653 HydrophobicContact CG2-CD1 3.78Å; V646-I653 HydrophobicContact CG2-CG1 3.34Å
647	I	55.9	Low	58.4	Low	51 Å²	51	61.1 Å²	61.1	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-47	176.3	-64.5	162.8	0	0	0	111.5	P342 R397 D643 S644 I645 G650	P342-I647 HydrophobicContact CB-CD1 4.14Å; P342-I647 HydrophobicContact CB-CG1 4.19Å; P342-I647 HydrophobicContact CG-CD1 4.38Å; R397-I647 VanDerWaalsContact NH1-CG1 3.26Å; R397-I647 VanDerWaalsContact NH1-CG2 3.31Å; D643-I647 HydrophobicContact CB-CD1 4.46Å; D643-I647 WeakPolarHBondContact O-CB 3.18Å; D643-I647 WeakPolarHBondContact O-CD1 3.08Å; D643-I647 WeakPolarHBondContact O-CG1 3.25Å; D643-I647 PolarHBondContact O-N 3.44Å; S644-I647 PolarHBondContact O-N 2.87Å; I645-I647 VanDerWaalsContact C-N 3.26Å; I645-I647 PolarHBondContact O-N 3.35Å; I647-G650 PolarHBondContact O-N 3.41Å
648	Q	55.8	Low	56.8	Low	153 Å²	153	62.1 Å²	62.1	72%	0.715	32%	0.316	S	S	*	.	H	α-helix	trans	-68.4	-38.2	-179	-76.2	-178.6	-14.4	0	0	112.8	S644 I645 G650	S644-Q648 WeakPolarHBondContact O-CG 3.47Å; S644-Q648 PolarHBondContact O-N 2.92Å; I645-Q648 PolarHBondContact O-N 2.93Å; Q648-G650 VanDerWaalsContact C-N 3.34Å
649	Q	49.9	Very low	55.8	Low	89 Å²	89	66.4 Å²	66.4	42%	0.416	33%	0.334	S	S	.	.	H	α-helix	trans	-83	-12.1	179.3	-66.1	-176.7	8.9	0	0	113.2	I645 R651 E712	I645-Q649 HydrophobicContact CG2-CG 4.41Å; I645-Q649 WeakPolarHBondContact O-CB 3.27Å; I645-Q649 WeakPolarHBondContact O-CG 3.46Å; I645-Q649 PolarHBondContact O-N 3.11Å; Q649-R651 HydrophobicContact CB-CB 4.08Å; Q649-R651 HydrophobicContact CB-CG 4.12Å; Q649-R651 PolarHBondContact O-N 3.07Å; Q649-E712 PolarHBondContact NE2-OE2 3.02Å; Q649-E712 PolarHBondContact OE1-OE2 3.22Å
650	G	43.7	Very low	55.2	Low	48 Å²	48	65.6 Å²	65.6	50%	0.495	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	23.7	-169.8	0	0	0	0	0	113.1	V646 I647 Q648	V646-G650 WeakPolarHBondContact O-CA 3.22Å; V646-G650 PolarHBondContact O-N 3.05Å; I647-G650 PolarHBondContact O-N 3.41Å; Q648-G650 VanDerWaalsContact C-N 3.34Å
651	R	38.4	Very low	54.8	Low	137 Å²	137	65.9 Å²	65.9	52%	0.517	34%	0.34	S	S	.	.			trans	-101.5	-169	-177.4	-76.9	-170.9	173.7	-179.7	-0.6	111	V646 Q649	V646-R651 WeakPolarHBondContact CG1-O 3.48Å; V646-R651 PolarHBondContact O-N 3.07Å; V646-R651 VanDerWaalsContact O-N 3.08Å; Q649-R651 HydrophobicContact CB-CB 4.08Å; Q649-R651 HydrophobicContact CB-CG 4.12Å; Q649-R651 PolarHBondContact O-N 3.07Å
652	L	45.4	Very low	54.7	Low	9 Å²	9	66.4 Å²	66.4	5%	0.047	34%	0.344	C	S	.	.			trans	-116.4	125.8	-144	-76.1	177	0	0	0	112.4	N345 Q381 V384 E385	N345-L652 HydrophobicContact CB-CD2 4.34Å; N345-L652 VanDerWaalsContact CG-CD2 3.42Å; N345-L652 WeakPolarHBondContact ND2-CA 3.1Å; N345-L652 WeakPolarHBondContact ND2-CB 3.29Å; N345-L652 WeakPolarHBondContact OD1-CA 2.99Å; N345-L652 VanDerWaalsContact OD1-CD2 3.26Å; N345-L652 WeakPolarHBondContact OD1-CD2 3.4Å; Q381-L652 HydrophobicContact CB-CD1 4.16Å; Q381-L652 HydrophobicContact CG-CD1 3.38Å; Q381-L652 VanDerWaalsContact O-CD1 3.27Å; Q381-L652 WeakPolarHBondContact O-CD1 3.45Å; V384-L652 HydrophobicContact CB-CD1 3.98Å; V384-L652 HydrophobicContact CB-CD2 3.58Å; V384-L652 HydrophobicContact CB-CG 4.49Å; V384-L652 HydrophobicContact CG1-CD1 4.48Å; V384-L652 HydrophobicContact CG1-CD2 3.18Å; V384-L652 HydrophobicContact CG1-CG 4.47Å; E385-L652 HydrophobicContact CG-CD1 3.96Å
653	I	44.8	Very low	54.9	Low	31 Å²	31	71.1 Å²	71.1	16%	0.159	37%	0.365	C	S	.	.			trans	-105.2	124.4	166.2	-59.3	164.4	0	0	0	114.6	N345 D643 V646	N345-I653 WeakPolarHBondContact CB-O 3.41Å; N345-I653 VanDerWaalsContact CG-C 3.44Å; N345-I653 PolarHBondContact N-O 2.8Å; N345-I653 WeakPolarHBondContact ND2-CA 3.16Å; N345-I653 PolarHBondContact ND2-N 3.38Å; N345-I653 PolarHBondContact ND2-O 3.17Å; N345-I653 PolarHBondContact OD1-N 3.43Å; D643-I653 WeakPolarHBondContact OD1-CD1 3.41Å; V646-I653 HydrophobicContact CB-CD1 3.8Å; V646-I653 HydrophobicContact CB-CG1 3.83Å; V646-I653 HydrophobicContact CG1-CD1 3.58Å; V646-I653 HydrophobicContact CG1-CG1 3.54Å; V646-I653 HydrophobicContact CG2-CD1 3.78Å; V646-I653 HydrophobicContact CG2-CG1 3.34Å
654	D	48.2	Very low	55.4	Low	116 Å²	116	73.5 Å²	73.5	62%	0.62	38%	0.376	S	S	*	.			trans	-74.6	131.4	177.1	-144.4	-25.1	0	0	0	113.3	Q656 S657	D654-Q656 VanDerWaalsContact C-N 3.26Å; D654-Q656 PolarHBondContact O-N 3.01Å; D654-S657 WeakPolarHBondContact O-CB 3.38Å; D654-S657 PolarHBondContact O-N 2.92Å; D654-S657 PolarHBondContact O-OG 2.89Å
655	Q	46.9	Very low	55.9	Low	75 Å²	75	71.8 Å²	71.8	35%	0.35	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-62.6	-27.3	-173.4	-94.4	-163.9	-13.6	0	0	114.4	N346 S657 N658	N346-Q655 HydrophobicContact CB-CG 4.14Å; N346-Q655 PolarHBondContact ND2-NE2 3.32Å; N346-Q655 VanDerWaalsContact ND2-NE2 3.15Å; N346-Q655 PolarHBondContact ND2-OE1 2.91Å; Q655-S657 PolarHBondContact O-N 3.07Å; Q655-N658 WeakPolarHBondContact O-CB 3.42Å; Q655-N658 PolarHBondContact O-N 3.01Å
656	Q	46.4	Very low	56.6	Low	170 Å²	170	71.4 Å²	71.4	79%	0.794	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-64.2	-30	-179	-68	-164.8	9.1	0	0	112.4	D654 N658 K659	D654-Q656 VanDerWaalsContact C-N 3.26Å; D654-Q656 PolarHBondContact O-N 3.01Å; Q656-N658 PolarHBondContact O-N 3.25Å; Q656-N658 VanDerWaalsContact O-N 3.13Å; Q656-K659 PolarHBondContact O-N 3.08Å
657	S	50.8	Low	57.6	Low	69 Å²	69	73.8 Å²	73.8	48%	0.483	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-59.8	-23.5	176.8	66.8	0	0	0	0	113.8	D654 Q655	D654-S657 WeakPolarHBondContact O-CB 3.38Å; D654-S657 PolarHBondContact O-N 2.92Å; D654-S657 PolarHBondContact O-OG 2.89Å; Q655-S657 PolarHBondContact O-N 3.07Å
658	N	50.3	Low	58.8	Low	46 Å²	46	72 Å²	72	25%	0.246	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-78.3	-20	-176.7	-85.2	-35.3	0	0	0	114	Q344 K639 Q655 Q656	Q344-N658 PolarHBondContact NE2-ND2 3.34Å; K639-N658 WeakPolarHBondContact CE-OD1 3.35Å; K639-N658 PolarHBondContact NZ-OD1 3.23Å; Q655-N658 WeakPolarHBondContact O-CB 3.42Å; Q655-N658 PolarHBondContact O-N 3.01Å; Q656-N658 PolarHBondContact O-N 3.25Å; Q656-N658 VanDerWaalsContact O-N 3.13Å
659	K	56.9	Low	60	Low	113 Å²	113	64.7 Å²	64.7	49%	0.491	33%	0.329	S	S	.	.	S	Bend	trans	-90.1	127.1	-177.1	-72	-179	179.1	175.2	0	109.6	Q656 A661	Q656-K659 PolarHBondContact O-N 3.08Å; K659-A661 PolarHBondContact O-N 3.45Å
660	L	60.6	Low	61.5	Low	27 Å²	27	63 Å²	63	14%	0.141	32%	0.319	C	S	.	.			trans	-56.4	112.4	167.7	-113.4	83.6	0	0	0	109.4	K446 W596 R635 M665 M668	K446-L660 WeakPolarHBondContact CE-O 3.25Å; K446-L660 PolarHBondContact NZ-O 3.2Å; W596-L660 HydrophobicContact CD2-CD1 4.35Å; W596-L660 HydrophobicContact CE3-CD1 3.49Å; W596-L660 VanDerWaalsContact CE3-CD1 3.49Å; W596-L660 HydrophobicContact CE3-CD2 3.92Å; W596-L660 HydrophobicContact CE3-CG 4.36Å; W596-L660 HydrophobicContact CH2-CD2 3.76Å; W596-L660 HydrophobicContact CZ3-CD1 3.74Å; W596-L660 HydrophobicContact CZ3-CD2 3.43Å; W596-L660 VanDerWaalsContact CZ3-CD2 3.43Å; W596-L660 HydrophobicContact CZ3-CG 4.18Å; R635-L660 VanDerWaalsContact CZ-CD1 3.49Å; R635-L660 VanDerWaalsContact NH1-CG 3.31Å; L660-M665 HydrophobicContact CB-CG 4.45Å; L660-M665 HydrophobicContact CD2-CG 3.45Å; L660-M665 VanDerWaalsContact CD2-CG 3.45Å; L660-M665 HydrophobicContact CD2-SD 4.04Å; L660-M665 HydrophobicContact CG-CG 4.35Å; L660-M668 HydrophobicContact CD2-CE 3.45Å; L660-M668 VanDerWaalsContact CD2-CE 3.45Å; L660-M668 HydrophobicContact CG-CE 4.1Å
661	A	67	Low	63.1	Low	45 Å²	45	62.1 Å²	62.1	37%	0.372	30%	0.301	S	S	.	.			trans	-73.9	155.2	174.7	0	0	0	0	0	110	K659 E663 E664 M665	K659-A661 PolarHBondContact O-N 3.45Å; A661-E663 VanDerWaalsContact C-N 3.32Å; A661-E663 PolarHBondContact O-N 3.03Å; A661-E664 HydrophobicContact CB-CG 4.08Å; A661-E664 PolarHBondContact N-OE2 3.1Å; A661-E664 PolarHBondContact O-N 3.31Å; A661-M665 PolarHBondContact O-N 3.26Å
662	K	71.8	Confident	65	Low	96 Å²	96	55.6 Å²	55.6	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-60.3	-43.2	179.9	-67.7	-177.4	-178.4	-173.4	0	111.9	M444 K446 L449 M665 L666	M444-K662 PolarHBondContact O-NZ 3.06Å; K446-K662 HydrophobicContact CB-CG 4.35Å; K446-K662 HydrophobicContact CG-CG 4.11Å; L449-K662 HydrophobicContact CD1-CB 4.49Å; K662-M665 HydrophobicContact CB-CE 4.49Å; K662-M665 HydrophobicContact CG-CE 4.36Å; K662-M665 WeakPolarHBondContact O-CB 3.15Å; K662-M665 PolarHBondContact O-N 3.49Å; K662-L666 PolarHBondContact O-N 3.4Å; K662-L666 VanDerWaalsContact O-N 3.14Å
663	E	71	Confident	66.5	Low	132 Å²	132	55.1 Å²	55.1	62%	0.617	27%	0.274	S	S	*	.	H	α-helix	trans	-63	-43.6	-180	-67.7	176.2	174.9	0	0	111.9	A661 M665 L666 Q667	A661-E663 VanDerWaalsContact C-N 3.32Å; A661-E663 PolarHBondContact O-N 3.03Å; E663-M665 VanDerWaalsContact C-N 3.35Å; E663-M665 PolarHBondContact O-N 2.84Å; E663-L666 WeakPolarHBondContact O-CB 3.48Å; E663-L666 PolarHBondContact O-N 3.28Å; E663-L666 VanDerWaalsContact O-N 3.16Å; E663-Q667 WeakPolarHBondContact O-CG 3.45Å; E663-Q667 PolarHBondContact O-N 2.82Å
664	E	73.7	Confident	68	Low	66 Å²	66	55.5 Å²	55.5	31%	0.308	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-41.5	176.9	-63.6	173.8	142.1	0	0	111.6	R635 A661 L666 Q667 M668	R635-E664 IonicContact CZ-OE1 3.78Å; R635-E664 IonicContact CZ-OE2 3.92Å; R635-E664 VanDerWaalsContact NH1-CD 3.27Å; R635-E664 IonicContact NH1-OE1 2.81Å; R635-E664 IonicContact NH1-OE2 3.08Å; R635-E664 PolarHBondContact NH1-OE2 3.46Å; R635-E664 IonicContact NH2-OE1 3.88Å; R635-E664 IonicContact NH2-OE2 3.48Å; R635-E664 PolarHBondContact NH2-OE2 2.73Å; A661-E664 HydrophobicContact CB-CG 4.08Å; A661-E664 PolarHBondContact N-OE2 3.1Å; A661-E664 PolarHBondContact O-N 3.31Å; E664-L666 VanDerWaalsContact C-N 3.28Å; E664-L666 PolarHBondContact O-N 3.5Å; E664-Q667 PolarHBondContact O-N 3.11Å; E664-M668 VanDerWaalsContact O-CG 3.31Å; E664-M668 WeakPolarHBondContact O-CG 3.18Å; E664-M668 PolarHBondContact O-N 2.77Å
665	M	75.6	Confident	69.3	Low	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-44.4	174.5	-77.8	-176.1	-67.4	0	0	111.9	K446 L449 L450 L453 L660 A661 K662 E663 M668 I669	K446-M665 HydrophobicContact CD-CE 4.46Å; K446-M665 HydrophobicContact CG-CE 3.65Å; L449-M665 HydrophobicContact CB-CB 4.37Å; L449-M665 HydrophobicContact CB-CE 4.38Å; L449-M665 HydrophobicContact CB-SD 4.34Å; L449-M665 HydrophobicContact CD1-CB 4.38Å; L449-M665 HydrophobicContact CD1-CE 4.43Å; L450-M665 HydrophobicContact CD2-SD 3.46Å; L450-M665 WeakPolarHBondContact CD2-SD 2.97Å; L450-M665 HydrophobicContact CG-SD 3.78Å; L453-M665 HydrophobicContact CD1-CG 4.46Å; L660-M665 HydrophobicContact CB-CG 4.45Å; L660-M665 HydrophobicContact CD2-CG 3.45Å; L660-M665 VanDerWaalsContact CD2-CG 3.45Å; L660-M665 HydrophobicContact CD2-SD 4.04Å; L660-M665 HydrophobicContact CG-CG 4.35Å; A661-M665 PolarHBondContact O-N 3.26Å; K662-M665 HydrophobicContact CB-CE 4.49Å; K662-M665 HydrophobicContact CG-CE 4.36Å; K662-M665 WeakPolarHBondContact O-CB 3.15Å; K662-M665 PolarHBondContact O-N 3.49Å; E663-M665 VanDerWaalsContact C-N 3.35Å; E663-M665 PolarHBondContact O-N 2.84Å; M665-M668 HydrophobicContact CG-CE 4.16Å; M665-M668 PolarHBondContact O-N 3.16Å; M665-I669 VanDerWaalsContact O-CG1 3.3Å; M665-I669 WeakPolarHBondContact O-CG1 3.18Å; M665-I669 PolarHBondContact O-N 2.99Å; M665-I669 VanDerWaalsContact O-N 3.09Å
666	L	78.3	Confident	70.7	Confident	14 Å²	14	49.6 Å²	49.6	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-44	178.9	-172	68	0	0	0	111.3	L438 M444 L449 K662 E663 E664 M668 I669 R670	L438-L666 HydrophobicContact CD2-CD1 4.31Å; M444-L666 HydrophobicContact CE-CD2 3.86Å; M444-L666 HydrophobicContact SD-CD1 4.36Å; M444-L666 HydrophobicContact SD-CD2 4.32Å; L449-L666 HydrophobicContact CD2-CD1 4.18Å; K662-L666 PolarHBondContact O-N 3.4Å; K662-L666 VanDerWaalsContact O-N 3.14Å; E663-L666 WeakPolarHBondContact O-CB 3.48Å; E663-L666 PolarHBondContact O-N 3.28Å; E663-L666 VanDerWaalsContact O-N 3.16Å; E664-L666 VanDerWaalsContact C-N 3.28Å; E664-L666 PolarHBondContact O-N 3.5Å; L666-M668 VanDerWaalsContact C-N 3.34Å; L666-M668 PolarHBondContact O-N 3Å; L666-I669 PolarHBondContact O-N 3.26Å; L666-R670 HydrophobicContact CG-CG 4.49Å; L666-R670 WeakPolarHBondContact O-CB 3.42Å; L666-R670 WeakPolarHBondContact O-CG 3.34Å; L666-R670 PolarHBondContact O-N 3.24Å
667	Q	78.1	Confident	72.2	Confident	62 Å²	62	43.4 Å²	43.4	29%	0.29	22%	0.218	S	C	.	.	H	α-helix	trans	-59.5	-43.7	176	-73.3	174.7	-11.5	0	0	111.8	E663 E664 I669 R670 H671 M720	E663-Q667 WeakPolarHBondContact O-CG 3.45Å; E663-Q667 PolarHBondContact O-N 2.82Å; E664-Q667 PolarHBondContact O-N 3.11Å; Q667-I669 VanDerWaalsContact C-N 3.33Å; Q667-I669 PolarHBondContact O-N 3.14Å; Q667-R670 PolarHBondContact O-N 3.48Å; Q667-H671 PolarHBondContact O-N 3.04Å; Q667-M720 VanDerWaalsContact CD-O 3.27Å; Q667-M720 PolarHBondContact NE2-O 3.25Å; Q667-M720 VanDerWaalsContact NE2-O 3.15Å; Q667-M720 PolarHBondContact OE1-O 3.42Å
668	M	80.4	Confident	73.4	Confident	13 Å²	13	42.7 Å²	42.7	6%	0.064	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-42.9	176.1	-70.6	-171.8	-79	0	0	112.2	L453 W596 R631 I632 L660 E664 M665 L666	L453-M668 HydrophobicContact CD1-CB 4.45Å; L453-M668 HydrophobicContact CD1-CE 4.2Å; W596-M668 HydrophobicContact CH2-CE 4.1Å; W596-M668 HydrophobicContact CH2-SD 4.32Å; W596-M668 HydrophobicContact CZ3-CE 3.88Å; W596-M668 HydrophobicContact CZ3-SD 4.03Å; R631-M668 HydrophobicContact CB-CB 4.21Å; R631-M668 HydrophobicContact CB-CG 3.61Å; R631-M668 HydrophobicContact CB-SD 4.06Å; R631-M668 HydrophobicContact CG-CG 4.26Å; I632-M668 HydrophobicContact CG1-SD 4.4Å; L660-M668 HydrophobicContact CD2-CE 3.45Å; L660-M668 VanDerWaalsContact CD2-CE 3.45Å; L660-M668 HydrophobicContact CG-CE 4.1Å; E664-M668 VanDerWaalsContact O-CG 3.31Å; E664-M668 WeakPolarHBondContact O-CG 3.18Å; E664-M668 PolarHBondContact O-N 2.77Å; M665-M668 HydrophobicContact CG-CE 4.16Å; M665-M668 PolarHBondContact O-N 3.16Å; L666-M668 VanDerWaalsContact C-N 3.34Å; L666-M668 PolarHBondContact O-N 3Å
669	I	82.1	Confident	74.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.6	-43.4	179.3	-61.1	162.2	0	0	0	110.9	L431 L438 L449 I452 L453 L456 V628 M665 L666 Q667 H671 G672 A673	L431-I669 HydrophobicContact CD2-CG2 3.69Å; L438-I669 HydrophobicContact CD1-CG2 4.18Å; L438-I669 HydrophobicContact CD2-CB 4.13Å; L438-I669 HydrophobicContact CD2-CD1 4.38Å; L438-I669 HydrophobicContact CD2-CG2 3.39Å; L438-I669 HydrophobicContact CG-CG2 4.44Å; L449-I669 HydrophobicContact CD2-CD1 4.09Å; I452-I669 HydrophobicContact CB-CD1 4.33Å; I452-I669 HydrophobicContact CG2-CD1 3.99Å; I452-I669 HydrophobicContact CG2-CG2 4.34Å; L453-I669 HydrophobicContact CB-CD1 4.36Å; L453-I669 HydrophobicContact CB-CG1 4.46Å; L453-I669 HydrophobicContact CD1-CD1 4.49Å; L453-I669 HydrophobicContact CD1-CG1 4.16Å; L453-I669 HydrophobicContact CG-CG1 4.46Å; L456-I669 HydrophobicContact CD1-CB 4.49Å; L456-I669 HydrophobicContact CD1-CG1 4.18Å; L456-I669 HydrophobicContact CD1-CG2 3.83Å; V628-I669 HydrophobicContact CG1-CG1 4.3Å; M665-I669 VanDerWaalsContact O-CG1 3.3Å; M665-I669 WeakPolarHBondContact O-CG1 3.18Å; M665-I669 PolarHBondContact O-N 2.99Å; M665-I669 VanDerWaalsContact O-N 3.09Å; L666-I669 PolarHBondContact O-N 3.26Å; Q667-I669 VanDerWaalsContact C-N 3.33Å; Q667-I669 PolarHBondContact O-N 3.14Å; I669-H671 VanDerWaalsContact C-N 3.3Å; I669-H671 PolarHBondContact O-N 3.37Å; I669-G672 PolarHBondContact O-N 3.29Å; I669-A673 WeakPolarHBondContact O-CB 3.3Å; I669-A673 PolarHBondContact O-N 3.26Å
670	R	80.1	Confident	74.6	Confident	55 Å²	55	43.8 Å²	43.8	21%	0.208	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-37.5	178.1	-75.6	-178.6	179.1	-178.4	1.2	112.5	L438 L666 Q667 A673 T674 L726	L438-R670 PolarHBondContact O-NE 3.19Å; L438-R670 VanDerWaalsContact O-NE 3.11Å; L438-R670 PolarHBondContact O-NH2 3.42Å; L666-R670 HydrophobicContact CG-CG 4.49Å; L666-R670 WeakPolarHBondContact O-CB 3.42Å; L666-R670 WeakPolarHBondContact O-CG 3.34Å; L666-R670 PolarHBondContact O-N 3.24Å; Q667-R670 PolarHBondContact O-N 3.48Å; R670-A673 PolarHBondContact O-N 3.2Å; R670-T674 PolarHBondContact O-N 3.03Å; R670-T674 PolarHBondContact O-OG1 2.91Å; R670-L726 HydrophobicContact CG-CD1 4.13Å
671	H	78.5	Confident	74.9	Confident	28 Å²	28	50.3 Å²	50.3	13%	0.13	25%	0.251	C	S	.	.	H	α-helix	trans	-55	-54.1	174.8	179.1	-110.7	0	0	0	111.6	E630 R631 Q667 I669 A673 T674 I722	E630-H671 IonicContact OE2-CE1 2.74Å; R631-H671 HydrophobicContact CG-CB 4.22Å; R631-H671 PolarHBondContact NE-CD2 2.99Å; R631-H671 PolarHBondContact NE-CE1 3.16Å; R631-H671 PolarHBondContact NE-ND1 3.27Å; R631-H671 PolarHBondContact NE-NE2 2.89Å; R631-H671 PolarHBondContact NH2-CD2 3.34Å; R631-H671 PolarHBondContact NH2-NE2 3.42Å; Q667-H671 PolarHBondContact O-N 3.04Å; I669-H671 VanDerWaalsContact C-N 3.3Å; I669-H671 PolarHBondContact O-N 3.37Å; H671-A673 VanDerWaalsContact C-N 3.33Å; H671-A673 PolarHBondContact O-N 3.19Å; H671-T674 PolarHBondContact O-N 3.31Å; H671-I722 HydrophobicContact CB-CD1 4.27Å
672	G	77.2	Confident	74.8	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-34.7	-180	0	0	0	0	0	113.2	N626 I669 V676	N626-G672 VanDerWaalsContact O-CA 3.29Å; N626-G672 WeakPolarHBondContact O-CA 3.24Å; I669-G672 PolarHBondContact O-N 3.29Å; G672-V676 WeakPolarHBondContact O-CB 3.34Å; G672-V676 VanDerWaalsContact O-CG2 3.24Å; G672-V676 WeakPolarHBondContact O-CG2 3.45Å; G672-V676 PolarHBondContact O-N 3.07Å; G672-V676 VanDerWaalsContact O-N 3.1Å
673	A	77	Confident	74.7	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-45.2	177.4	0	0	0	0	0	112.6	L431 I669 R670 H671 H675 V676 F677 L726	L431-A673 HydrophobicContact CD1-CB 3.65Å; L431-A673 HydrophobicContact CD2-CB 4.13Å; L431-A673 HydrophobicContact CG-CB 4.49Å; I669-A673 WeakPolarHBondContact O-CB 3.3Å; I669-A673 PolarHBondContact O-N 3.26Å; R670-A673 PolarHBondContact O-N 3.2Å; H671-A673 VanDerWaalsContact C-N 3.33Å; H671-A673 PolarHBondContact O-N 3.19Å; A673-H675 VanDerWaalsContact C-N 3.33Å; A673-H675 PolarHBondContact O-N 3.23Å; A673-V676 PolarHBondContact O-N 3.12Å; A673-F677 HydrophobicContact CB-CD2 4.19Å; A673-F677 HydrophobicContact CB-CE2 3.9Å; A673-F677 WeakPolarHBondContact O-CB 3.4Å; A673-F677 WeakPolarHBondContact O-CD2 3.43Å; A673-F677 WeakPolarHBondContact O-CG 3.46Å; A673-F677 PolarHBondContact O-N 3.37Å; A673-L726 HydrophobicContact CB-CD1 4.43Å; A673-L726 HydrophobicContact CB-CD2 3.7Å
674	T	76.2	Confident	74.6	Confident	39 Å²	39	45.2 Å²	45.2	24%	0.239	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-43.9	-177	-51.8	0	0	0	0	111.8	R670 H671 A678	R670-T674 PolarHBondContact O-N 3.03Å; R670-T674 PolarHBondContact O-OG1 2.91Å; H671-T674 PolarHBondContact O-N 3.31Å; T674-A678 PolarHBondContact O-N 3.33Å
675	H	76.6	Confident	74.4	Confident	62 Å²	62	45.7 Å²	45.7	29%	0.287	24%	0.237	S	C	.	.	H	α-helix	trans	-73.3	-47.2	179.3	-172.8	-88.4	0	0	0	112.5	N626 A673 F677 A678 S679 E683	N626-H675 HydrophobicContact CB-CB 3.7Å; N626-H675 WeakPolarHBondContact CB-ND1 3.21Å; N626-H675 VanDerWaalsContact CG-CD2 3.46Å; N626-H675 PolarHBondContact ND2-CE1 3.36Å; N626-H675 PolarHBondContact ND2-NE2 3.13Å; A673-H675 VanDerWaalsContact C-N 3.33Å; A673-H675 PolarHBondContact O-N 3.23Å; H675-F677 VanDerWaalsContact C-N 3.26Å; H675-F677 PolarHBondContact O-N 3.32Å; H675-A678 PolarHBondContact O-N 3.05Å; H675-S679 PolarHBondContact O-N 2.84Å; H675-S679 VanDerWaalsContact O-N 3.08Å; H675-S679 PolarHBondContact O-OG 3.09Å; H675-E683 IonicContact CE1-OE1 3.45Å; H675-E683 PolarHBondContact CE1-OE1 3.09Å; H675-E683 VanDerWaalsContact CE1-OE1 3.3Å; H675-E683 IonicContact CE1-OE2 3.32Å; H675-E683 IonicContact ND1-OE1 3.67Å
676	V	76.3	Confident	74.4	Confident	4 Å²	4	52.9 Å²	52.9	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-35.4	-176.7	169.5	0	0	0	0	112	L419 R424 Y427 T428 G672 A673 S679	L419-V676 HydrophobicContact CD1-CG2 3.81Å; R424-V676 HydrophobicContact CG-CG1 4.05Å; Y427-V676 HydrophobicContact CD1-CB 4.21Å; Y427-V676 HydrophobicContact CD1-CG1 4.04Å; Y427-V676 HydrophobicContact CD1-CG2 3.76Å; Y427-V676 HydrophobicContact CE1-CG2 3.89Å; Y427-V676 HydrophobicContact CG-CG2 4.44Å; T428-V676 WeakPolarHBondContact OG1-CG1 3.43Å; G672-V676 WeakPolarHBondContact O-CB 3.34Å; G672-V676 VanDerWaalsContact O-CG2 3.24Å; G672-V676 WeakPolarHBondContact O-CG2 3.45Å; G672-V676 PolarHBondContact O-N 3.07Å; G672-V676 VanDerWaalsContact O-N 3.1Å; A673-V676 PolarHBondContact O-N 3.12Å; V676-S679 PolarHBondContact O-OG 3.37Å
677	F	76.9	Confident	74.5	Confident	41 Å²	41	54.4 Å²	54.4	18%	0.18	28%	0.282	C	S	.	.	H	α-helix	trans	-74.5	-23.7	175.1	-67	-51.5	0	0	0	114	T428 L431 M432 A673 H675 L726 F729	T428-F677 HydrophobicContact CG2-CD1 4.25Å; T428-F677 HydrophobicContact CG2-CE1 3.79Å; L431-F677 HydrophobicContact CB-CE2 4.44Å; L431-F677 HydrophobicContact CB-CZ 3.86Å; L431-F677 HydrophobicContact CD1-CE2 4.1Å; L431-F677 HydrophobicContact CD1-CZ 4.03Å; M432-F677 HydrophobicContact CE-CE1 4.04Å; M432-F677 HydrophobicContact CG-CE1 4.23Å; M432-F677 HydrophobicContact CG-CZ 4.44Å; A673-F677 HydrophobicContact CB-CD2 4.19Å; A673-F677 HydrophobicContact CB-CE2 3.9Å; A673-F677 WeakPolarHBondContact O-CB 3.4Å; A673-F677 WeakPolarHBondContact O-CD2 3.43Å; A673-F677 WeakPolarHBondContact O-CG 3.46Å; A673-F677 PolarHBondContact O-N 3.37Å; H675-F677 VanDerWaalsContact C-N 3.26Å; H675-F677 PolarHBondContact O-N 3.32Å; F677-L726 HydrophobicContact CD2-CD2 4.19Å; F677-L726 HydrophobicContact CE2-CD2 4.18Å; F677-F729 HydrophobicContact CB-CD1 4.26Å; F677-F729 HydrophobicContact CB-CE1 4.34Å; F677-F729 HydrophobicContact CB-CG 4.48Å
678	A	76	Confident	74.9	Confident	53 Å²	53	55.8 Å²	55.8	44%	0.438	29%	0.291	S	S	.	.	H	α-helix	trans	-82.7	-28.8	177.2	0	0	0	0	0	113.9	T674 H675 F729	T674-A678 PolarHBondContact O-N 3.33Å; H675-A678 PolarHBondContact O-N 3.05Å; A678-F729 HydrophobicContact CB-CE1 3.82Å; A678-F729 HydrophobicContact CB-CZ 3.86Å
679	S	70.1	Confident	75.3	Confident	25 Å²	25	55.5 Å²	55.5	18%	0.175	29%	0.29	C	S	.	.			trans	-86.3	129	-177.4	65.7	0	0	0	0	112.6	R424 H675 V676 E683	R424-S679 PolarHBondContact NE-OG 2.88Å; R424-S679 PolarHBondContact NH2-OG 2.87Å; H675-S679 PolarHBondContact O-N 2.84Å; H675-S679 VanDerWaalsContact O-N 3.08Å; H675-S679 PolarHBondContact O-OG 3.09Å; V676-S679 PolarHBondContact O-OG 3.37Å; S679-E683 WeakPolarHBondContact CB-OE1 3.41Å; S679-E683 PolarHBondContact OG-OE1 3.21Å
680	K	63.8	Low	75.6	Confident	157 Å²	157	57.8 Å²	57.8	68%	0.683	30%	0.304	S	S	*	.			trans	-97.5	-26.4	177.1	-70.4	-177.1	179.9	170	0	114.9	R424 E730	R424-K680 VanDerWaalsContact NH1-C 3.29Å; R424-K680 PolarHBondContact NH1-O 3.46Å; K680-E730 VanDerWaalsContact CE-OE1 3.22Å; K680-E730 WeakPolarHBondContact CE-OE1 3.43Å; K680-E730 WeakPolarHBondContact CE-OE2 3.19Å; K680-E730 IonicContact NZ-OE1 3.43Å; K680-E730 PolarHBondContact NZ-OE1 2.98Å; K680-E730 IonicContact NZ-OE2 3.25Å; K680-E730 PolarHBondContact NZ-OE2 3.32Å
681	E	66.2	Low	76	Confident	164 Å²	164	58 Å²	58	77%	0.766	31%	0.311	S	S	*	.	S	Bend	trans	-121.9	148.6	-170.3	-68.3	-173.2	165.6	0	0	114.5	R424 E683	R424-E681 VanDerWaalsContact NH1-CA 3.33Å; R424-E681 PolarHBondContact NH1-O 2.99Å; R424-E681 PolarHBondContact NH2-O 3.24Å; E681-E683 PolarHBondContact O-N 2.91Å
682	S	65.8	Low	76.4	Confident	60 Å²	60	57.4 Å²	57.4	42%	0.42	31%	0.309	S	S	.	.			trans	-48.5	130.3	-178.9	177	0	0	0	0	111.2	L684	S682-L684 VanDerWaalsContact C-N 3.27Å; S682-L684 PolarHBondContact O-N 3.39Å; S682-L684 PolarHBondContact OG-N 3.02Å
683	E	68.9	Low	77	Confident	51 Å²	51	58.8 Å²	58.8	24%	0.238	32%	0.316	C	S	.	.			trans	-88.7	5.2	-179.5	-76	158.3	-137	0	0	112.8	R424 H675 S679 E681 T685	R424-E683 IonicContact CZ-OE1 3.57Å; R424-E683 IonicContact NH2-OE1 2.82Å; R424-E683 PolarHBondContact NH2-OE1 3.11Å; H675-E683 IonicContact CE1-OE1 3.45Å; H675-E683 PolarHBondContact CE1-OE1 3.09Å; H675-E683 VanDerWaalsContact CE1-OE1 3.3Å; H675-E683 IonicContact CE1-OE2 3.32Å; H675-E683 IonicContact ND1-OE1 3.67Å; S679-E683 WeakPolarHBondContact CB-OE1 3.41Å; S679-E683 PolarHBondContact OG-OE1 3.21Å; E681-E683 PolarHBondContact O-N 2.91Å; E683-T685 PolarHBondContact O-N 2.76Å; E683-T685 VanDerWaalsContact O-N 3.15Å
684	L	69.4	Low	77.7	Confident	55 Å²	55	65.2 Å²	65.2	29%	0.288	35%	0.346	S	S	.	.			trans	-72.9	105.3	174.9	-59.2	-178.6	0	0	0	110	G418 G486 V489 S682	G418-L684 WeakPolarHBondContact O-CD2 3.49Å; G486-L684 VanDerWaalsContact CA-CD2 3.42Å; V489-L684 HydrophobicContact CG2-CD1 4.28Å; S682-L684 VanDerWaalsContact C-N 3.27Å; S682-L684 PolarHBondContact O-N 3.39Å; S682-L684 PolarHBondContact OG-N 3.02Å
685	T	69.2	Low	78.3	Confident	77 Å²	77	70 Å²	70	47%	0.472	36%	0.36	S	S	.	.			trans	-86.2	135.5	170.4	53.6	0	0	0	0	110.2	E683 E687	E683-T685 PolarHBondContact O-N 2.76Å; E683-T685 VanDerWaalsContact O-N 3.15Å; T685-E687 PolarHBondContact O-N 3.46Å
686	D	76.2	Confident	78.8	Confident	150 Å²	150	67.2 Å²	67.2	80%	0.802	35%	0.348	S	S	*	.			trans	-79.4	43.2	176.3	-159.4	14.3	0	0	0	112.8	K493	K493-D686 IonicContact NZ-OD1 2.76Å; K493-D686 PolarHBondContact NZ-OD1 3.34Å
687	E	80.6	Confident	79.5	Confident	47 Å²	47	70.8 Å²	70.8	22%	0.22	37%	0.365	C	S	.	.			trans	-71.3	153.4	178.3	-70.2	175.3	-174.8	0	0	111	K493 T685 I692 R695	K493-E687 PolarHBondContact NZ-O 2.7Å; T685-E687 PolarHBondContact O-N 3.46Å; E687-I692 HydrophobicContact CB-CD1 4.26Å; E687-I692 HydrophobicContact CB-CG1 4.05Å; E687-R695 IonicContact OE1-CZ 3.82Å; E687-R695 IonicContact OE1-NH1 2.64Å; E687-R695 PolarHBondContact OE1-NH1 2.98Å; E687-R695 VanDerWaalsContact OE1-NH1 3.09Å; E687-R695 IonicContact OE1-NH2 3.88Å; E687-R695 PolarHBondContact OE1-NH2 3.39Å; E687-R695 IonicContact OE2-CZ 3.56Å; E687-R695 IonicContact OE2-NH1 2.8Å; E687-R695 PolarHBondContact OE2-NH1 3.48Å; E687-R695 VanDerWaalsContact OE2-NH1 3.09Å; E687-R695 IonicContact OE2-NH2 3.3Å; E687-R695 PolarHBondContact OE2-NH2 2.96Å
688	D	85.5	Confident	80.1	Confident	91 Å²	91	75.4 Å²	75.4	49%	0.487	39%	0.385	S	S	.	.			trans	-68	147.4	170.8	-175.8	28.2	0	0	0	110.6	T690 T691 I692	D688-T690 PolarHBondContact O-N 3.07Å; D688-T690 WeakPolarHBondContact OD2-CB 3.22Å; D688-T690 VanDerWaalsContact OD2-CG2 3.3Å; D688-T690 WeakPolarHBondContact OD2-CG2 3.37Å; D688-T690 PolarHBondContact OD2-OG1 3.19Å; D688-T691 PolarHBondContact O-N 3.39Å; D688-T691 VanDerWaalsContact O-N 3.1Å; D688-I692 PolarHBondContact O-N 2.94Å
689	I	88.3	Confident	80.7	Confident	7 Å²	7	75.8 Å²	75.8	4%	0.036	38%	0.376	C	S	.	.	H	α-helix	trans	-60.8	-29.6	-179.5	-170.9	60.6	0	0	0	111.9	V490 K493 L494 K497 I692 L693	V490-I689 HydrophobicContact CG1-CD1 3.82Å; K493-I689 HydrophobicContact CB-CB 4.03Å; K493-I689 HydrophobicContact CB-CD1 4.37Å; K493-I689 HydrophobicContact CB-CG1 4.38Å; L494-I689 HydrophobicContact CB-CD1 4.1Å; L494-I689 HydrophobicContact CB-CG1 4.33Å; L494-I689 HydrophobicContact CD1-CG1 4.32Å; K497-I689 HydrophobicContact CD-CG2 3.68Å; I689-I692 PolarHBondContact O-N 3.48Å; I689-L693 HydrophobicContact CD1-CG 4.41Å; I689-L693 HydrophobicContact CG1-CD1 4.21Å; I689-L693 HydrophobicContact CG1-CG 4.3Å; I689-L693 WeakPolarHBondContact O-CB 3.4Å; I689-L693 WeakPolarHBondContact O-CG 3.23Å; I689-L693 PolarHBondContact O-N 3.11Å
690	T	88.1	Confident	81.6	Confident	48 Å²	48	74.9 Å²	74.9	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-58	-49.6	173.8	56.5	0	0	0	0	111.6	D688 I692 L693 E694	D688-T690 PolarHBondContact O-N 3.07Å; D688-T690 WeakPolarHBondContact OD2-CB 3.22Å; D688-T690 VanDerWaalsContact OD2-CG2 3.3Å; D688-T690 WeakPolarHBondContact OD2-CG2 3.37Å; D688-T690 PolarHBondContact OD2-OG1 3.19Å; T690-I692 PolarHBondContact O-N 3.07Å; T690-L693 PolarHBondContact O-N 3.2Å; T690-E694 WeakPolarHBondContact O-CG 3.38Å; T690-E694 PolarHBondContact O-N 3.22Å
691	T	89.1	Confident	82.8	Confident	59 Å²	59	70 Å²	70	36%	0.362	36%	0.359	S	S	.	.	H	α-helix	trans	-65.3	-41.1	-178.3	-53.7	0	0	0	0	111.2	D688 L693 E694 R695	D688-T691 PolarHBondContact O-N 3.39Å; D688-T691 VanDerWaalsContact O-N 3.1Å; T691-L693 VanDerWaalsContact C-N 3.33Å; T691-L693 PolarHBondContact O-N 3.22Å; T691-E694 PolarHBondContact O-N 3.42Å; T691-R695 WeakPolarHBondContact O-CB 3.34Å; T691-R695 PolarHBondContact O-N 3.3Å
692	I	87.8	Confident	83.8	Confident	16 Å²	16	67 Å²	67	8%	0.082	35%	0.345	C	S	.	.	H	α-helix	trans	-61.4	-42.9	176.1	-66.1	168.4	0	0	0	110.7	I415 V490 E687 D688 I689 T690 G696	I415-I692 HydrophobicContact CG2-CG2 3.48Å; I415-I692 VanDerWaalsContact CG2-CG2 3.48Å; V490-I692 HydrophobicContact CG1-CG2 4.49Å; V490-I692 HydrophobicContact CG2-CD1 4.13Å; E687-I692 HydrophobicContact CB-CD1 4.26Å; E687-I692 HydrophobicContact CB-CG1 4.05Å; D688-I692 PolarHBondContact O-N 2.94Å; I689-I692 PolarHBondContact O-N 3.48Å; T690-I692 PolarHBondContact O-N 3.07Å; I692-G696 PolarHBondContact O-N 3.32Å
693	L	89.8	Confident	84.7	Confident	28 Å²	28	65.3 Å²	65.3	15%	0.147	33%	0.331	C	S	.	.	H	α-helix	trans	-67.9	-41.3	178.9	-71.2	177	0	0	0	112.5	I415 L494 F620 I689 T690 T691 G696 E697	I415-L693 HydrophobicContact CD1-CD2 3.54Å; I415-L693 HydrophobicContact CG1-CD2 4.16Å; L494-L693 HydrophobicContact CD1-CD1 4.36Å; F620-L693 HydrophobicContact CD1-CD2 3.76Å; F620-L693 HydrophobicContact CE1-CD1 4.43Å; F620-L693 HydrophobicContact CE1-CD2 3.5Å; F620-L693 VanDerWaalsContact CE1-CD2 3.5Å; F620-L693 HydrophobicContact CZ-CD2 4.44Å; I689-L693 HydrophobicContact CD1-CG 4.41Å; I689-L693 HydrophobicContact CG1-CD1 4.21Å; I689-L693 HydrophobicContact CG1-CG 4.3Å; I689-L693 WeakPolarHBondContact O-CB 3.4Å; I689-L693 WeakPolarHBondContact O-CG 3.23Å; I689-L693 PolarHBondContact O-N 3.11Å; T690-L693 PolarHBondContact O-N 3.2Å; T691-L693 VanDerWaalsContact C-N 3.33Å; T691-L693 PolarHBondContact O-N 3.22Å; L693-G696 PolarHBondContact O-N 2.85Å; L693-E697 WeakPolarHBondContact O-CB 3.49Å; L693-E697 PolarHBondContact O-N 3.06Å
694	E	90	Very high	85.4	Confident	136 Å²	136	65.9 Å²	65.9	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-63.3	-43.7	176.2	-73.7	175.3	-174.2	0	0	111.7	T690 T691 E697 K698	T690-E694 WeakPolarHBondContact O-CG 3.38Å; T690-E694 PolarHBondContact O-N 3.22Å; T691-E694 PolarHBondContact O-N 3.42Å; E694-E697 PolarHBondContact O-N 3.46Å; E694-K698 PolarHBondContact O-N 3.38Å
695	R	89.1	Confident	86.1	Confident	138 Å²	138	67.9 Å²	67.9	52%	0.521	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-44.7	174.3	-173.2	-178.7	-61.6	166.4	4.7	111.3	E687 T691 K698 K699	E687-R695 IonicContact OE1-CZ 3.82Å; E687-R695 IonicContact OE1-NH1 2.64Å; E687-R695 PolarHBondContact OE1-NH1 2.98Å; E687-R695 VanDerWaalsContact OE1-NH1 3.09Å; E687-R695 IonicContact OE1-NH2 3.88Å; E687-R695 PolarHBondContact OE1-NH2 3.39Å; E687-R695 IonicContact OE2-CZ 3.56Å; E687-R695 IonicContact OE2-NH1 2.8Å; E687-R695 PolarHBondContact OE2-NH1 3.48Å; E687-R695 VanDerWaalsContact OE2-NH1 3.09Å; E687-R695 IonicContact OE2-NH2 3.3Å; E687-R695 PolarHBondContact OE2-NH2 2.96Å; T691-R695 WeakPolarHBondContact O-CB 3.34Å; T691-R695 PolarHBondContact O-N 3.3Å; R695-K698 PolarHBondContact O-N 3.11Å; R695-K699 PolarHBondContact O-N 3.33Å
696	G	88.4	Confident	86.7	Confident	4 Å²	4	71 Å²	71	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-61.6	-42.8	176.5	0	0	0	0	0	112.5	K414 I692 L693 K699 T700	K414-G696 CarbonylContact O-C 3.54Å; K414-G696 WeakPolarHBondContact O-CA 3.45Å; I692-G696 PolarHBondContact O-N 3.32Å; L693-G696 PolarHBondContact O-N 2.85Å; G696-K699 PolarHBondContact O-N 3.48Å; G696-T700 VanDerWaalsContact O-CB 3.31Å; G696-T700 WeakPolarHBondContact O-CB 3.38Å; G696-T700 PolarHBondContact O-N 2.98Å; G696-T700 PolarHBondContact O-OG1 2.92Å
697	E	89.6	Confident	86.8	Confident	80 Å²	80	64.5 Å²	64.5	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-62.6	-45.5	177	-176.8	169.8	163	0	0	111.6	K411 I413 L693 E694 T700 A701	K411-E697 WeakPolarHBondContact CE-OE1 3.46Å; K411-E697 IonicContact NZ-OE1 2.7Å; K411-E697 PolarHBondContact NZ-OE1 2.92Å; K411-E697 IonicContact NZ-OE2 3.09Å; K411-E697 PolarHBondContact NZ-OE2 3.05Å; I413-E697 HydrophobicContact CG2-CB 4.43Å; L693-E697 WeakPolarHBondContact O-CB 3.49Å; L693-E697 PolarHBondContact O-N 3.06Å; E694-E697 PolarHBondContact O-N 3.46Å; E697-T700 PolarHBondContact O-N 3.26Å; E697-A701 PolarHBondContact O-N 2.82Å
698	K	91	Very high	86.5	Confident	138 Å²	138	68.4 Å²	68.4	60%	0.6	33%	0.33	S	S	*	.	H	α-helix	trans	-60.2	-51.5	176.2	-175.2	179.4	173.9	-176.9	0	112	E694 R695 T700 A701 E702	E694-K698 PolarHBondContact O-N 3.38Å; R695-K698 PolarHBondContact O-N 3.11Å; K698-T700 VanDerWaalsContact C-N 3.26Å; K698-T700 PolarHBondContact O-N 2.92Å; K698-A701 PolarHBondContact O-N 3.46Å; K698-A701 VanDerWaalsContact O-N 3.15Å; K698-E702 WeakPolarHBondContact CE-OE1 3.17Å; K698-E702 WeakPolarHBondContact O-CG 3.35Å; K698-E702 PolarHBondContact O-N 3.46Å
699	K	87.5	Confident	86.1	Confident	60 Å²	60	71.4 Å²	71.4	26%	0.261	34%	0.338	S	S	.	.	H	α-helix	trans	-62.3	-34.5	179	-169.2	167.5	172.4	-172.5	0	111.5	Y416 D625 E630 R695 G696 M703	Y416-K699 HydrophobicContact CD1-CD 4.25Å; Y416-K699 HydrophobicContact CD2-CB 4.38Å; Y416-K699 HydrophobicContact CD2-CD 3.49Å; Y416-K699 VanDerWaalsContact CD2-CD 3.49Å; Y416-K699 HydrophobicContact CD2-CG 4.05Å; Y416-K699 HydrophobicContact CE1-CD 4.3Å; Y416-K699 HydrophobicContact CE2-CB 4.22Å; Y416-K699 HydrophobicContact CE2-CD 3.55Å; Y416-K699 HydrophobicContact CE2-CG 3.7Å; Y416-K699 HydrophobicContact CG-CD 3.84Å; D625-K699 IonicContact OD1-NZ 2.98Å; D625-K699 PolarHBondContact OD1-NZ 3.01Å; D625-K699 IonicContact OD2-NZ 3.38Å; E630-K699 IonicContact OE1-NZ 3.21Å; R695-K699 PolarHBondContact O-N 3.33Å; G696-K699 PolarHBondContact O-N 3.48Å; K699-M703 WeakPolarHBondContact O-CB 3.5Å; K699-M703 PolarHBondContact O-N 3.35Å
700	T	88.4	Confident	85.3	Confident	6 Å²	6	73 Å²	73	4%	0.037	35%	0.346	C	S	.	.	H	α-helix	trans	-65.7	-45.3	174.4	-55	0	0	0	0	111.7	K414 G696 E697 K698 M703 N704	K414-T700 WeakPolarHBondContact CB-OG1 3.38Å; K414-T700 HydrophobicContact CD-CG2 4.23Å; K414-T700 HydrophobicContact CG-CG2 4.24Å; K414-T700 PolarHBondContact N-OG1 3.18Å; G696-T700 VanDerWaalsContact O-CB 3.31Å; G696-T700 WeakPolarHBondContact O-CB 3.38Å; G696-T700 PolarHBondContact O-N 2.98Å; G696-T700 PolarHBondContact O-OG1 2.92Å; E697-T700 PolarHBondContact O-N 3.26Å; K698-T700 VanDerWaalsContact C-N 3.26Å; K698-T700 PolarHBondContact O-N 2.92Å; T700-M703 PolarHBondContact O-N 2.84Å; T700-N704 WeakPolarHBondContact O-CB 3.26Å; T700-N704 PolarHBondContact O-N 3.46Å; T700-N704 PolarHBondContact O-ND2 3.43Å
701	A	89	Confident	84	Confident	55 Å²	55	72.6 Å²	72.6	46%	0.455	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-45.6	178	0	0	0	0	0	111.7	E697 K698 M703 N704 E705	E697-A701 PolarHBondContact O-N 2.82Å; K698-A701 PolarHBondContact O-N 3.46Å; K698-A701 VanDerWaalsContact O-N 3.15Å; A701-M703 PolarHBondContact O-N 2.86Å; A701-N704 PolarHBondContact O-N 3.38Å; A701-E705 WeakPolarHBondContact O-CB 3.49Å; A701-E705 PolarHBondContact O-N 3.32Å
702	E	88.3	Confident	82.5	Confident	101 Å²	101	71.7 Å²	71.7	47%	0.472	34%	0.344	S	S	.	.	H	α-helix	trans	-59.4	-44.1	176.9	-72.4	171.8	179.3	0	0	112	K698 E705 R706	K698-E702 WeakPolarHBondContact CE-OE1 3.17Å; K698-E702 WeakPolarHBondContact O-CG 3.35Å; K698-E702 PolarHBondContact O-N 3.46Å; E702-E705 PolarHBondContact O-N 3.04Å; E702-R706 WeakPolarHBondContact O-CB 3.39Å; E702-R706 PolarHBondContact O-N 3.34Å
703	M	83.6	Confident	80.8	Confident	24 Å²	24	75.3 Å²	75.3	12%	0.118	37%	0.37	C	S	.	.	H	α-helix	trans	-66.6	-41.5	177.2	-174.4	172.6	59.1	0	0	112.1	K414 E634 E637 K699 T700 A701 E705 R706 L707	K414-M703 HydrophobicContact CD-CE 3.31Å; E634-M703 HydrophobicContact CG-SD 4.39Å; E637-M703 HydrophobicContact CG-CE 4.41Å; K699-M703 WeakPolarHBondContact O-CB 3.5Å; K699-M703 PolarHBondContact O-N 3.35Å; T700-M703 PolarHBondContact O-N 2.84Å; A701-M703 PolarHBondContact O-N 2.86Å; M703-E705 VanDerWaalsContact C-N 3.33Å; M703-E705 PolarHBondContact O-N 3.37Å; M703-R706 PolarHBondContact O-N 3.46Å; M703-L707 HydrophobicContact CG-CD1 4.03Å; M703-L707 WeakPolarHBondContact O-CB 3.44Å; M703-L707 WeakPolarHBondContact O-CG 3.5Å; M703-L707 PolarHBondContact O-N 3.34Å
704	N	83.7	Confident	79.3	Confident	64 Å²	64	77.2 Å²	77.2	34%	0.342	39%	0.386	S	S	.	.	H	α-helix	trans	-62.1	-41.9	176.2	-73.2	-16.3	0	0	0	111.3	T700 A701 L707 Q708	T700-N704 WeakPolarHBondContact O-CB 3.26Å; T700-N704 PolarHBondContact O-N 3.46Å; T700-N704 PolarHBondContact O-ND2 3.43Å; A701-N704 PolarHBondContact O-N 3.38Å; N704-L707 PolarHBondContact O-N 3.21Å; N704-Q708 WeakPolarHBondContact O-CB 3.1Å; N704-Q708 VanDerWaalsContact O-CG 3.25Å; N704-Q708 WeakPolarHBondContact O-CG 3.25Å; N704-Q708 PolarHBondContact O-N 3.37Å
705	E	84.9	Confident	77.7	Confident	96 Å²	96	71 Å²	71	45%	0.449	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-43.3	175.4	-167.5	-173.6	167.5	0	0	111.5	A701 E702 M703 L707 Q708 K709	A701-E705 WeakPolarHBondContact O-CB 3.49Å; A701-E705 PolarHBondContact O-N 3.32Å; E702-E705 PolarHBondContact O-N 3.04Å; M703-E705 VanDerWaalsContact C-N 3.33Å; M703-E705 PolarHBondContact O-N 3.37Å; E705-L707 VanDerWaalsContact C-N 3.35Å; E705-L707 PolarHBondContact O-N 3.16Å; E705-Q708 PolarHBondContact O-N 3.48Å; E705-K709 HydrophobicContact CG-CD 4.44Å; E705-K709 WeakPolarHBondContact O-CG 3.46Å; E705-K709 PolarHBondContact O-N 3.26Å; E705-K709 WeakPolarHBondContact OE1-CE 3.17Å; E705-K709 IonicContact OE1-NZ 3.66Å; E705-K709 PolarHBondContact OE1-NZ 3.49Å
706	R	81.6	Confident	76	Confident	144 Å²	144	70 Å²	70	54%	0.543	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-45	175.1	-173.3	-174.4	176.4	-178.7	0.3	111.7	E702 M703 Q708 K709 M710	E702-R706 WeakPolarHBondContact O-CB 3.39Å; E702-R706 PolarHBondContact O-N 3.34Å; M703-R706 PolarHBondContact O-N 3.46Å; R706-Q708 VanDerWaalsContact C-N 3.34Å; R706-K709 PolarHBondContact O-N 3.05Å; R706-M710 HydrophobicContact CG-CE 4.1Å; R706-M710 WeakPolarHBondContact O-CG 3.12Å; R706-M710 PolarHBondContact O-N 3.04Å; R706-M710 VanDerWaalsContact O-N 3.07Å
707	L	77.6	Confident	74.2	Confident	13 Å²	13	75.9 Å²	75.9	7%	0.068	38%	0.384	C	S	.	.	H	α-helix	trans	-68.7	-31.1	177.1	-72.9	166.2	0	0	0	112.9	E637 I638 M703 N704 E705 M710 L715	E637-L707 HydrophobicContact CB-CD1 3.75Å; E637-L707 HydrophobicContact CG-CD1 4.48Å; I638-L707 HydrophobicContact CG1-CD2 3.77Å; M703-L707 HydrophobicContact CG-CD1 4.03Å; M703-L707 WeakPolarHBondContact O-CB 3.44Å; M703-L707 WeakPolarHBondContact O-CG 3.5Å; M703-L707 PolarHBondContact O-N 3.34Å; N704-L707 PolarHBondContact O-N 3.21Å; E705-L707 VanDerWaalsContact C-N 3.35Å; E705-L707 PolarHBondContact O-N 3.16Å; L707-M710 HydrophobicContact CD2-CE 3.69Å; L707-M710 HydrophobicContact CG-CE 4.33Å; L707-L715 HydrophobicContact CD2-CD2 4.17Å
708	Q	75.6	Confident	72.2	Confident	128 Å²	128	75.4 Å²	75.4	60%	0.598	38%	0.381	S	S	*	.	H	α-helix	trans	-70.4	-37.2	173.5	-77.1	177	14.5	0	0	112.2	N704 E705 R706	N704-Q708 WeakPolarHBondContact O-CB 3.1Å; N704-Q708 VanDerWaalsContact O-CG 3.25Å; N704-Q708 WeakPolarHBondContact O-CG 3.25Å; N704-Q708 PolarHBondContact O-N 3.37Å; E705-Q708 PolarHBondContact O-N 3.48Å; R706-Q708 VanDerWaalsContact C-N 3.34Å
709	K	77.7	Confident	70.1	Confident	154 Å²	154	78.4 Å²	78.4	67%	0.67	39%	0.388	S	S	*	.	H	α-helix	trans	-73.5	-28.8	177.4	-72.6	176.4	-176.9	169.7	0	113.2	E705 R706 G711	E705-K709 HydrophobicContact CG-CD 4.44Å; E705-K709 WeakPolarHBondContact O-CG 3.46Å; E705-K709 PolarHBondContact O-N 3.26Å; E705-K709 WeakPolarHBondContact OE1-CE 3.17Å; E705-K709 IonicContact OE1-NZ 3.66Å; E705-K709 PolarHBondContact OE1-NZ 3.49Å; R706-K709 PolarHBondContact O-N 3.05Å; K709-G711 PolarHBondContact O-N 3.24Å
710	M	69.7	Low	68.2	Low	40 Å²	40	78.1 Å²	78.1	20%	0.197	39%	0.389	C	S	.	.	S	Bend	trans	-69.1	118.2	177	-78.2	-166.7	-82.3	0	0	111	R706 L707 L715	R706-M710 HydrophobicContact CG-CE 4.1Å; R706-M710 WeakPolarHBondContact O-CG 3.12Å; R706-M710 PolarHBondContact O-N 3.04Å; R706-M710 VanDerWaalsContact O-N 3.07Å; L707-M710 HydrophobicContact CD2-CE 3.69Å; L707-M710 HydrophobicContact CG-CE 4.33Å; M710-L715 HydrophobicContact CB-CD2 3.87Å; M710-L715 HydrophobicContact CB-CG 4.05Å; M710-L715 HydrophobicContact CE-CD2 4.28Å; M710-L715 HydrophobicContact SD-CD2 4.34Å
711	G	62.3	Low	65.7	Low	41 Å²	41	84.5 Å²	84.5	42%	0.423	42%	0.422	S	S	.	.			trans	-67.3	159.2	175.5	0	0	0	0	0	112.8	K709 S713 S714 L715	K709-G711 PolarHBondContact O-N 3.24Å; G711-S713 VanDerWaalsContact C-N 3.33Å; G711-S713 PolarHBondContact O-N 2.87Å; G711-S714 WeakPolarHBondContact O-CB 3.3Å; G711-S714 PolarHBondContact O-N 3.28Å; G711-L715 PolarHBondContact O-N 2.86Å
712	E	57.7	Low	63.5	Low	40 Å²	40	84.5 Å²	84.5	19%	0.187	41%	0.414	C	S	.	.	H	α-helix	trans	-55.4	-43.5	-175.6	-170.4	-178	163.8	0	0	113.3	I645 Q649 S714 L715 R716	I645-E712 HydrophobicContact CG2-CG 4.14Å; Q649-E712 PolarHBondContact NE2-OE2 3.02Å; Q649-E712 PolarHBondContact OE1-OE2 3.22Å; E712-S714 VanDerWaalsContact C-N 3.31Å; E712-S714 PolarHBondContact O-N 3.3Å; E712-L715 PolarHBondContact O-N 2.72Å; E712-R716 WeakPolarHBondContact O-CG 3.32Å; E712-R716 PolarHBondContact O-N 3.33Å; E712-R716 IonicContact OE1-CZ 3.57Å; E712-R716 IonicContact OE1-NE 3.44Å; E712-R716 IonicContact OE1-NH2 3.46Å; E712-R716 PolarHBondContact OE1-NH2 3.43Å
713	S	52.4	Low	60.9	Low	91 Å²	91	89 Å²	89	64%	0.636	44%	0.435	S	S	*	.	H	α-helix	trans	-61.3	-39.8	177.5	-49.4	0	0	0	0	112.1	G711 R716 N717	G711-S713 VanDerWaalsContact C-N 3.33Å; G711-S713 PolarHBondContact O-N 2.87Å; S713-R716 PolarHBondContact O-N 3.03Å; S713-N717 WeakPolarHBondContact O-CB 3.44Å; S713-N717 PolarHBondContact O-N 3.05Å; S713-N717 VanDerWaalsContact O-N 3.11Å
714	S	57.3	Low	58.8	Low	68 Å²	68	94.1 Å²	94.1	48%	0.476	46%	0.459	S	S	.	.	H	α-helix	trans	-69.1	-39.7	177.5	-55.7	0	0	0	0	111.4	G711 E712 R716 N717 F718	G711-S714 WeakPolarHBondContact O-CB 3.3Å; G711-S714 PolarHBondContact O-N 3.28Å; E712-S714 VanDerWaalsContact C-N 3.31Å; E712-S714 PolarHBondContact O-N 3.3Å; S714-R716 VanDerWaalsContact C-N 3.34Å; S714-R716 PolarHBondContact O-N 3.21Å; S714-N717 PolarHBondContact O-N 2.88Å; S714-F718 WeakPolarHBondContact O-CB 3.5Å; S714-F718 PolarHBondContact O-N 2.56Å
715	L	56.3	Low	57	Low	5 Å²	5	95.2 Å²	95.2	3%	0.026	47%	0.472	C	S	.	.	H	α-helix	trans	-64.8	-36.6	177	-69.7	170.9	0	0	0	112.3	I638 R641 L642 I645 L707 M710 G711 E712	I638-L715 HydrophobicContact CG1-CD2 4.38Å; I638-L715 HydrophobicContact CG2-CD2 4.18Å; R641-L715 HydrophobicContact CG-CD1 3.86Å; L642-L715 HydrophobicContact CD2-CB 3.75Å; L642-L715 HydrophobicContact CG-CB 4.13Å; I645-L715 HydrophobicContact CD1-CD1 3.89Å; L707-L715 HydrophobicContact CD2-CD2 4.17Å; M710-L715 HydrophobicContact CB-CD2 3.87Å; M710-L715 HydrophobicContact CB-CG 4.05Å; M710-L715 HydrophobicContact CE-CD2 4.28Å; M710-L715 HydrophobicContact SD-CD2 4.34Å; G711-L715 PolarHBondContact O-N 2.86Å; E712-L715 PolarHBondContact O-N 2.72Å
716	R	52.5	Low	55.4	Low	117 Å²	117	91.4 Å²	91.4	44%	0.442	45%	0.454	S	S	.	.	H	α-helix	trans	-71.4	-40.1	176.4	-69	-175.7	-165.2	-160.5	4.1	113.1	L642 E712 S713 S714 F718	L642-R716 HydrophobicContact CD2-CG 3.94Å; E712-R716 WeakPolarHBondContact O-CG 3.32Å; E712-R716 PolarHBondContact O-N 3.33Å; E712-R716 IonicContact OE1-CZ 3.57Å; E712-R716 IonicContact OE1-NE 3.44Å; E712-R716 IonicContact OE1-NH2 3.46Å; E712-R716 PolarHBondContact OE1-NH2 3.43Å; S713-R716 PolarHBondContact O-N 3.03Å; S714-R716 VanDerWaalsContact C-N 3.34Å; S714-R716 PolarHBondContact O-N 3.21Å; R716-F718 VanDerWaalsContact C-N 3.35Å
717	N	50.7	Low	53.6	Low	129 Å²	129	86.6 Å²	86.6	69%	0.69	44%	0.436	S	S	*	.	S	Bend	trans	-92.6	6.4	-175.3	-69	-7.8	0	0	0	113.5	S713 S714 R719	S713-N717 WeakPolarHBondContact O-CB 3.44Å; S713-N717 PolarHBondContact O-N 3.05Å; S713-N717 VanDerWaalsContact O-N 3.11Å; S714-N717 PolarHBondContact O-N 2.88Å; N717-R719 PolarHBondContact O-N 2.83Å
718	F	47.6	Very low	52	Low	70 Å²	70	94 Å²	94	31%	0.307	47%	0.468	S	S	.	.			trans	-63.7	98.7	-176.7	-169.2	-108	0	0	0	110.6	I638 S714 R716 M720	I638-F718 HydrophobicContact CD1-CD1 3.73Å; I638-F718 HydrophobicContact CD1-CE1 3.91Å; S714-F718 WeakPolarHBondContact O-CB 3.5Å; S714-F718 PolarHBondContact O-N 2.56Å; R716-F718 VanDerWaalsContact C-N 3.35Å; F718-M720 HydrophobicContact CD1-CG 3.92Å; F718-M720 HydrophobicContact CD1-SD 4.42Å; F718-M720 HydrophobicContact CE1-CE 3.74Å; F718-M720 HydrophobicContact CE1-CG 3.36Å; F718-M720 HydrophobicContact CE1-SD 3.46Å; F718-M720 WeakPolarHBondContact CE1-SD 3.34Å; F718-M720 HydrophobicContact CZ-CE 3.6Å; F718-M720 HydrophobicContact CZ-CG 3.89Å; F718-M720 HydrophobicContact CZ-SD 4Å
719	R	47.6	Very low	50.5	Low	200 Å²	200	90.2 Å²	90.2	76%	0.755	45%	0.45	S	S	*	.			trans	-103.9	136	165.5	-71.6	-174	175.4	-167.8	-2.7	108	N717	N717-R719 PolarHBondContact O-N 2.83Å
720	M	48	Very low	48.8	Very low	55 Å²	55	88.5 Å²	88.5	27%	0.271	44%	0.444	S	S	.	.			trans	-99.3	104.3	-178.3	-55.8	-157.3	76.3	0	0	109.3	R631 Q667 F718	R631-M720 PolarHBondContact NH1-SD 2.85Å; Q667-M720 VanDerWaalsContact CD-O 3.27Å; Q667-M720 PolarHBondContact NE2-O 3.25Å; Q667-M720 VanDerWaalsContact NE2-O 3.15Å; Q667-M720 PolarHBondContact OE1-O 3.42Å; F718-M720 HydrophobicContact CD1-CG 3.92Å; F718-M720 HydrophobicContact CD1-SD 4.42Å; F718-M720 HydrophobicContact CE1-CE 3.74Å; F718-M720 HydrophobicContact CE1-CG 3.36Å; F718-M720 HydrophobicContact CE1-SD 3.46Å; F718-M720 WeakPolarHBondContact CE1-SD 3.34Å; F718-M720 HydrophobicContact CZ-CE 3.6Å; F718-M720 HydrophobicContact CZ-CG 3.89Å; F718-M720 HydrophobicContact CZ-SD 4Å
721	D	35.8	Very low	47.8	Very low	139 Å²	139	90.7 Å²	90.7	74%	0.743	48%	0.476	S	S	*	.			trans	-79.8	123.7	-179.7	-66.5	-30.6	0	0	0	111
722	I	41.7	Very low	46.7	Very low	56 Å²	56	94 Å²	94	29%	0.287	48%	0.481	S	S	.	.			trans	-137.9	107.7	164.4	-57.4	178.2	0	0	0	107.4	H671	H671-I722 HydrophobicContact CB-CD1 4.27Å
723	E	34.7	Very low	46.4	Very low	196 Å²	196	95.4 Å²	95.4	92%	0.916	49%	0.49	S	S	*	.			trans	-97.5	26.2	-173.8	-77.1	-166.1	149	0	0	115.3
724	Q	40	Very low	46.6	Very low	130 Å²	130	94.3 Å²	94.3	61%	0.607	47%	0.472	S	S	*	.			trans	-104.2	132	-178.6	-69.6	-175.4	-8.7	0	0	113.9
725	S	44.8	Very low	46.5	Very low	88 Å²	88	98.2 Å²	98.2	62%	0.615	48%	0.477	S	S	*	.			trans	-82.7	130.2	175.1	61.1	0	0	0	0	111.7	Y727	S725-Y727 VanDerWaalsContact C-N 3.34Å; S725-Y727 PolarHBondContact O-N 3.13Å
726	L	51.5	Low	46.1	Very low	15 Å²	15	105.7 Å²	105.7	8%	0.079	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.1	-169.4	-71.5	156.4	0	0	0	115.9	L438 N439 R670 A673 F677	L438-L726 HydrophobicContact CB-CD1 3.73Å; L438-L726 HydrophobicContact CD1-CD1 4.2Å; N439-L726 WeakPolarHBondContact OD1-CB 3.37Å; N439-L726 PolarHBondContact OD1-N 2.69Å; N439-L726 VanDerWaalsContact OD1-N 3.15Å; R670-L726 HydrophobicContact CG-CD1 4.13Å; A673-L726 HydrophobicContact CB-CD1 4.43Å; A673-L726 HydrophobicContact CB-CD2 3.7Å; F677-L726 HydrophobicContact CD2-CD2 4.19Å; F677-L726 HydrophobicContact CE2-CD2 4.18Å
727	Y	44.4	Very low	46	Very low	43 Å²	43	106.1 Å²	106.1	17%	0.169	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-20.6	-171.8	-79.6	-70.4	0	0	0	115.4	I435 D436 N439 S725 R735	I435-Y727 HydrophobicContact CD1-CE1 4.46Å; I435-Y727 HydrophobicContact CG1-CE1 4.41Å; D436-Y727 PolarHBondContact OD1-OH 3.49Å; N439-Y727 HydrophobicContact CB-CD2 3.95Å; N439-Y727 HydrophobicContact CB-CE2 3.28Å; N439-Y727 WeakPolarHBondContact ND2-CD2 3.11Å; N439-Y727 WeakPolarHBondContact ND2-CE2 3.34Å; S725-Y727 VanDerWaalsContact C-N 3.34Å; S725-Y727 PolarHBondContact O-N 3.13Å; Y727-R735 HydrophobicContact CD1-CG 3.73Å; Y727-R735 HydrophobicContact CE1-CG 3.99Å
728	K	42.9	Very low	45.8	Very low	168 Å²	168	106.4 Å²	106.4	73%	0.73	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.3	-178.7	-70.4	-173.8	176.5	-175.3	0	109.6
729	F	45.1	Very low	45.6	Very low	49 Å²	49	112 Å²	112	22%	0.215	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	135.3	177.7	-135.4	-93.4	0	0	0	110.7	F677 A678 G731 E732 Y734	F677-F729 HydrophobicContact CB-CD1 4.26Å; F677-F729 HydrophobicContact CB-CE1 4.34Å; F677-F729 HydrophobicContact CB-CG 4.48Å; A678-F729 HydrophobicContact CB-CE1 3.82Å; A678-F729 HydrophobicContact CB-CZ 3.86Å; F729-G731 PolarHBondContact O-N 2.82Å; F729-E732 PolarHBondContact N-O 2.57Å; F729-E732 PolarHBondContact O-N 3.1Å; F729-Y734 HydrophobicContact CB-CE2 4.25Å
730	E	42.4	Very low	44.8	Very low	119 Å²	119	110.2 Å²	110.2	56%	0.556	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	22.5	-176.7	-64.9	-166.1	159.9	0	0	116.4	K680 E732	K680-E730 VanDerWaalsContact CE-OE1 3.22Å; K680-E730 WeakPolarHBondContact CE-OE1 3.43Å; K680-E730 WeakPolarHBondContact CE-OE2 3.19Å; K680-E730 IonicContact NZ-OE1 3.43Å; K680-E730 PolarHBondContact NZ-OE1 2.98Å; K680-E730 IonicContact NZ-OE2 3.25Å; K680-E730 PolarHBondContact NZ-OE2 3.32Å; E730-E732 VanDerWaalsContact C-N 3.33Å
731	G	48.9	Very low	44.1	Very low	85 Å²	85	110.2 Å²	110.2	88%	0.876	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	84	1.8	-178.5	0	0	0	0	0	114.8	F729	F729-G731 PolarHBondContact O-N 2.82Å
732	E	38.4	Very low	43.8	Very low	112 Å²	112	112.7 Å²	112.7	52%	0.523	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.8	136.1	171	-68.6	-167.1	168.9	0	0	111.4	F729 E730 Y734 K737	F729-E732 PolarHBondContact N-O 2.57Å; F729-E732 PolarHBondContact O-N 3.1Å; E730-E732 VanDerWaalsContact C-N 3.33Å; E732-Y734 HydrophobicContact CB-CE2 4.47Å; E732-K737 IonicContact OE2-NZ 2.72Å; E732-K737 PolarHBondContact OE2-NZ 2.64Å
733	D	52.5	Low	43.3	Very low	68 Å²	68	116.2 Å²	116.2	36%	0.364	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.7	109.6	173.3	-170.3	-19	0	0	0	109.2	R735	D733-R735 PolarHBondContact O-N 3.47Å; D733-R735 VanDerWaalsContact O-N 3.13Å; D733-R735 WeakPolarHBondContact OD1-CB 3.26Å; D733-R735 WeakPolarHBondContact OD1-CD 3.32Å; D733-R735 WeakPolarHBondContact OD1-CG 3.29Å; D733-R735 PolarHBondContact OD1-N 2.66Å; D733-R735 VanDerWaalsContact OD1-N 3.14Å
734	Y	56	Low	43	Very low	69 Å²	69	115.1 Å²	115.1	27%	0.271	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	-0.3	-174.7	-76.8	-92.1	0	0	0	114.2	M432 F729 E732 E736 K737	M432-Y734 HydrophobicContact CE-CD1 4.37Å; M432-Y734 HydrophobicContact CE-CE1 4.23Å; F729-Y734 HydrophobicContact CB-CE2 4.25Å; E732-Y734 HydrophobicContact CB-CE2 4.47Å; Y734-E736 PolarHBondContact O-N 2.84Å; Y734-K737 HydrophobicContact CD1-CD 4.05Å; Y734-K737 HydrophobicContact CE1-CD 4.19Å; Y734-K737 PolarHBondContact O-N 3.47Å
735	R	54.8	Low	42.5	Very low	150 Å²	150	118.7 Å²	118.7	57%	0.566	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-30.8	172	-72.2	171.9	177.3	-175.3	-0.8	112.7	Y727 D733	Y727-R735 HydrophobicContact CD1-CG 3.73Å; Y727-R735 HydrophobicContact CE1-CG 3.99Å; D733-R735 PolarHBondContact O-N 3.47Å; D733-R735 VanDerWaalsContact O-N 3.13Å; D733-R735 WeakPolarHBondContact OD1-CB 3.26Å; D733-R735 WeakPolarHBondContact OD1-CD 3.32Å; D733-R735 WeakPolarHBondContact OD1-CG 3.29Å; D733-R735 PolarHBondContact OD1-N 2.66Å; D733-R735 VanDerWaalsContact OD1-N 3.14Å
736	E	48.9	Very low	41.6	Very low	162 Å²	162	121.4 Å²	121.4	76%	0.757	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-77.9	-31.1	-175.5	-64.8	-161.1	154.5	0	0	113.9	Y734 Q738 K739	Y734-E736 PolarHBondContact O-N 2.84Å; E736-Q738 PolarHBondContact O-N 3.27Å; E736-K739 PolarHBondContact O-N 3.06Å
737	K	50	Low	40.5	Very low	125 Å²	125	125.4 Å²	125.4	54%	0.543	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-68.1	-15.5	179.2	-75.6	179.6	-178.1	155.6	0	113.1	E732 Y734 K739 L740	E732-K737 IonicContact OE2-NZ 2.72Å; E732-K737 PolarHBondContact OE2-NZ 2.64Å; Y734-K737 HydrophobicContact CD1-CD 4.05Å; Y734-K737 HydrophobicContact CE1-CD 4.19Å; Y734-K737 PolarHBondContact O-N 3.47Å; K737-K739 PolarHBondContact O-N 3.07Å; K737-L740 PolarHBondContact O-N 2.93Å
738	Q	46	Very low	39.7	Very low	135 Å²	135	126.9 Å²	126.9	63%	0.631	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-65.8	-20.5	171.5	-141.9	-176.6	33.4	0	0	112.5	D436 E736	D436-Q738 PolarHBondContact OD2-NE2 3.01Å; D436-Q738 VanDerWaalsContact OD2-NE2 3.09Å; E736-Q738 PolarHBondContact O-N 3.27Å
739	K	42.4	Very low	39	Very low	188 Å²	188	124 Å²	124	82%	0.817	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-85.9	-19.5	-180	-70.5	-174.7	178.2	176.6	0	114.3	E736 K737 G741	E736-K739 PolarHBondContact O-N 3.06Å; K737-K739 PolarHBondContact O-N 3.07Å; K739-G741 PolarHBondContact O-N 2.85Å
740	L	32.4	Very low	38.3	Very low	163 Å²	163	126.6 Å²	126.6	85%	0.853	64%	0.641	S	S	*	*	S	Bend	trans	-98.4	97.5	-174.6	-129.4	85.1	0	0	0	111.2	K737	K737-L740 PolarHBondContact O-N 2.93Å
741	G	33.7	Very low	37.7	Very low	54 Å²	54	127.8 Å²	127.8	56%	0.557	64%	0.64	S	S	*	*			trans	101.2	86.4	161.7	0	0	0	0	0	113.8	K739 V743	K739-G741 PolarHBondContact O-N 2.85Å; G741-V743 PolarHBondContact O-N 3.03Å
742	M	27.6	Very low	37	Very low	192 Å²	192	127.6 Å²	127.6	95%	0.946	62%	0.617	S	S	*	*			trans	-52.5	81.9	135	-81.5	176.2	65.1	0	0	107.6	E744	M742-E744 PolarHBondContact O-N 3.2Å
743	V	31.6	Very low	36.7	Very low	129 Å²	129	129.8 Å²	129.8	78%	0.782	62%	0.62	S	S	*	*			trans	-67.7	106.2	167	177.5	0	0	0	0	104.8	G741 W745	G741-V743 PolarHBondContact O-N 3.03Å; V743-W745 PolarHBondContact O-N 3.29Å
744	E	29.6	Very low	35.8	Very low	174 Å²	174	135.9 Å²	135.9	81%	0.813	64%	0.643	S	S	*	*			trans	-46.9	103.3	175.4	-73.8	179.3	139.4	0	0	109.4	M742 I746	M742-E744 PolarHBondContact O-N 3.2Å; E744-I746 PolarHBondContact O-N 3.33Å
745	W	28	Very low	34.8	Very low	205 Å²	205	136.9 Å²	136.9	78%	0.777	67%	0.666	S	S	*	*			trans	-74.1	96.9	-178.1	-174.5	63.7	0	0	0	108.7	V743 E747	V743-W745 PolarHBondContact O-N 3.29Å; W745-E747 HydrophobicContact CH2-CB 4.36Å; W745-E747 HydrophobicContact CH2-CG 3.9Å; W745-E747 HydrophobicContact CZ2-CG 4.37Å; W745-E747 HydrophobicContact CZ3-CB 4.27Å; W745-E747 HydrophobicContact CZ3-CG 4.22Å; W745-E747 PolarHBondContact O-N 2.79Å
746	I	26.6	Very low	33.8	Very low	144 Å²	144	136.2 Å²	136.2	74%	0.738	67%	0.674	S	S	*	*			trans	-77.5	104.1	169	-59.9	171.4	0	0	0	106.7	E744 P748	E744-I746 PolarHBondContact O-N 3.33Å; I746-P748 WeakPolarHBondContact O-CD 3.43Å; I746-P748 VanDerWaalsContact O-N 3.11Å
747	E	28.5	Very low	33.3	Very low	100 Å²	100	133.5 Å²	133.5	47%	0.467	66%	0.658	S	S	.	*			trans	-57	110.7	179.2	-166.5	-179.4	-171.7	0	0	109.7	W745 K750	W745-E747 HydrophobicContact CH2-CB 4.36Å; W745-E747 HydrophobicContact CH2-CG 3.9Å; W745-E747 HydrophobicContact CZ2-CG 4.37Å; W745-E747 HydrophobicContact CZ3-CB 4.27Å; W745-E747 HydrophobicContact CZ3-CG 4.22Å; W745-E747 PolarHBondContact O-N 2.79Å; E747-K750 WeakPolarHBondContact OE1-CE 3.35Å; E747-K750 IonicContact OE1-NZ 3.7Å; E747-K750 PolarHBondContact OE1-NZ 2.82Å
748	P	27.3	Very low	33.2	Very low	73 Å²	73	130.7 Å²	130.7	47%	0.474	66%	0.658	S	S	.	*			trans	-67.8	145.4	-178.8	-16.5	30.6	0	0	0	110.3	I746 K750	I746-P748 WeakPolarHBondContact O-CD 3.43Å; I746-P748 VanDerWaalsContact O-N 3.11Å; P748-K750 PolarHBondContact O-N 3.5Å
749	P	28.5	Very low	33	Very low	108 Å²	108	126 Å²	126	70%	0.701	64%	0.638	S	S	*	*			trans	-59.1	115.2	-177.6	22.4	-30.9	0	0	0	110.4	R751	P749-R751 PolarHBondContact O-N 3Å
750	K	30.9	Very low	33.3	Very low	104 Å²	104	122.2 Å²	122.2	45%	0.452	63%	0.627	S	S	.	*			trans	-55.2	110.3	176.1	-70.8	173.9	-178.4	155.4	0	108.7	E747 P748 E752	E747-K750 WeakPolarHBondContact OE1-CE 3.35Å; E747-K750 IonicContact OE1-NZ 3.7Å; E747-K750 PolarHBondContact OE1-NZ 2.82Å; P748-K750 PolarHBondContact O-N 3.5Å; K750-E752 VanDerWaalsContact C-N 3.26Å; K750-E752 PolarHBondContact O-N 3.23Å
751	R	29.7	Very low	34	Very low	143 Å²	143	117.1 Å²	117.1	54%	0.54	61%	0.608	S	S	.	*			trans	-66.2	94.1	162.5	-165.7	176.7	-174.7	-176.9	1.2	106.3	P749 R753	P749-R751 PolarHBondContact O-N 3Å; R751-R753 VanDerWaalsContact C-N 3.32Å; R751-R753 PolarHBondContact O-N 3.18Å
752	E	32.9	Very low	34.7	Very low	82 Å²	82	118.3 Å²	118.3	38%	0.383	60%	0.596	S	S	.	*			trans	-66.8	89.5	177.1	-81.5	177.9	-166.2	0	0	109.6	K750 T1008 M1010	K750-E752 VanDerWaalsContact C-N 3.26Å; K750-E752 PolarHBondContact O-N 3.23Å; E752-T1008 HydrophobicContact CB-CG2 4.3Å; E752-T1008 PolarHBondContact OE1-OG1 2.9Å; E752-T1008 WeakPolarHBondContact OE2-CB 3.43Å; E752-T1008 WeakPolarHBondContact OE2-CG2 3.37Å; E752-T1008 PolarHBondContact OE2-OG1 3.41Å; E752-M1010 WeakPolarHBondContact OE1-CE 3.5Å
753	R	33.7	Very low	35.7	Very low	157 Å²	157	110.1 Å²	110.1	59%	0.592	56%	0.556	S	S	*	*			trans	-91.6	132.2	148.8	-62.7	-151.4	-155.6	-167.7	11.8	107.2	R751 A755	R751-R753 VanDerWaalsContact C-N 3.32Å; R751-R753 PolarHBondContact O-N 3.18Å; R753-A755 PolarHBondContact O-N 3.31Å
754	K	33.4	Very low	36.6	Very low	196 Å²	196	113.2 Å²	113.2	85%	0.852	55%	0.553	S	S	*	*			trans	-50.7	102.5	-173.5	-73.7	-177.5	176.1	-179.3	0	110.8	N756	K754-N756 VanDerWaalsContact C-N 3.29Å; K754-N756 PolarHBondContact O-N 3.02Å
755	A	33.2	Very low	37.4	Very low	91 Å²	91	110.7 Å²	110.7	75%	0.752	54%	0.541	S	S	*	.			trans	-78.7	76.5	178.1	0	0	0	0	0	110	R753 Y757	R753-A755 PolarHBondContact O-N 3.31Å; A755-Y757 PolarHBondContact O-N 3Å
756	N	34.1	Very low	38.4	Very low	136 Å²	136	103.9 Å²	103.9	73%	0.727	53%	0.529	S	S	*	.			trans	-87.9	38.1	170.4	-71.9	-2.5	0	0	0	111.2	K754	K754-N756 VanDerWaalsContact C-N 3.29Å; K754-N756 PolarHBondContact O-N 3.02Å
757	Y	38.7	Very low	39.2	Very low	105 Å²	105	100.1 Å²	100.1	41%	0.412	51%	0.51	S	S	.	.			trans	-99.8	110.2	-173.2	-165.2	-134	0	0	0	110.6	A755 V759	A755-Y757 PolarHBondContact O-N 3Å; Y757-V759 HydrophobicContact CD1-CB 4.44Å; Y757-V759 HydrophobicContact CD1-CG2 3.04Å; Y757-V759 HydrophobicContact CE1-CB 4.3Å; Y757-V759 HydrophobicContact CE1-CG2 2.83Å; Y757-V759 HydrophobicContact CE2-CG2 4.39Å; Y757-V759 HydrophobicContact CG-CG2 3.92Å; Y757-V759 PolarHBondContact O-N 3.14Å
758	A	48.9	Very low	39.9	Very low	66 Å²	66	104.1 Å²	104.1	55%	0.545	52%	0.521	S	S	.	.			trans	-94.1	55.6	-179.7	0	0	0	0	0	112.3	D760 A761 Y762	A758-D760 PolarHBondContact O-N 3.28Å; A758-A761 HydrophobicContact CB-CB 3.71Å; A758-A761 WeakPolarHBondContact O-CB 3.36Å; A758-A761 PolarHBondContact O-N 3.25Å; A758-Y762 PolarHBondContact O-N 2.87Å
759	V	42.2	Very low	40.5	Very low	35 Å²	35	104.7 Å²	104.7	21%	0.212	52%	0.522	C	S	.	.	H	α-helix	trans	-50.7	-43.3	170.7	-175.5	0	0	0	0	110.5	Y757 A761 Y762 F763	Y757-V759 HydrophobicContact CD1-CB 4.44Å; Y757-V759 HydrophobicContact CD1-CG2 3.04Å; Y757-V759 HydrophobicContact CE1-CB 4.3Å; Y757-V759 HydrophobicContact CE1-CG2 2.83Å; Y757-V759 HydrophobicContact CE2-CG2 4.39Å; Y757-V759 HydrophobicContact CG-CG2 3.92Å; Y757-V759 PolarHBondContact O-N 3.14Å; V759-A761 PolarHBondContact O-N 3.43Å; V759-Y762 WeakPolarHBondContact O-CB 3.49Å; V759-Y762 PolarHBondContact O-N 2.77Å; V759-Y762 VanDerWaalsContact O-N 3.16Å; V759-F763 HydrophobicContact CG1-CD2 3.77Å; V759-F763 HydrophobicContact CG1-CE2 3.69Å; V759-F763 WeakPolarHBondContact O-CD2 3.45Å; V759-F763 PolarHBondContact O-N 2.83Å; V759-F763 VanDerWaalsContact O-N 3.17Å
760	D	47.6	Very low	40.9	Very low	109 Å²	109	105 Å²	105	58%	0.583	53%	0.527	S	S	*	.	H	α-helix	trans	-63.5	-30.8	-178.6	-62.6	-27.5	0	0	0	112.1	A758 R764	A758-D760 PolarHBondContact O-N 3.28Å; D760-R764 WeakPolarHBondContact O-CB 3.47Å; D760-R764 PolarHBondContact O-N 3.04Å
761	A	48	Very low	40.9	Very low	56 Å²	56	107.9 Å²	107.9	46%	0.463	54%	0.542	S	S	.	.	H	α-helix	trans	-70.8	-38.8	176.5	0	0	0	0	0	111.9	A758 V759 R764 E765	A758-A761 HydrophobicContact CB-CB 3.71Å; A758-A761 WeakPolarHBondContact O-CB 3.36Å; A758-A761 PolarHBondContact O-N 3.25Å; V759-A761 PolarHBondContact O-N 3.43Å; A761-R764 PolarHBondContact O-N 3.04Å; A761-E765 PolarHBondContact O-N 2.93Å; A761-E765 VanDerWaalsContact O-N 3.13Å
762	Y	47.9	Very low	41.2	Very low	79 Å²	79	107.2 Å²	107.2	31%	0.31	56%	0.556	S	S	.	*	H	α-helix	trans	-63.2	-44.3	174.8	170	-117.3	0	0	0	111.9	A758 V759 E765 A766	A758-Y762 PolarHBondContact O-N 2.87Å; V759-Y762 WeakPolarHBondContact O-CB 3.49Å; V759-Y762 PolarHBondContact O-N 2.77Å; V759-Y762 VanDerWaalsContact O-N 3.16Å; Y762-E765 PolarHBondContact O-N 3.02Å; Y762-A766 PolarHBondContact O-N 3.2Å; Y762-A766 VanDerWaalsContact O-N 3.1Å
763	F	47.7	Very low	41.3	Very low	21 Å²	21	112.7 Å²	112.7	9%	0.092	58%	0.579	C	S	.	*	H	α-helix	trans	-72.6	-34.5	178	-74.2	-73.2	0	0	0	112.2	L450 M454 V759 E765 A766 L767	L450-F763 HydrophobicContact CD1-CD1 4.15Å; L450-F763 HydrophobicContact CD1-CE1 4.47Å; L450-F763 HydrophobicContact CD2-CE1 4.11Å; M454-F763 HydrophobicContact CE-CE2 3.76Å; M454-F763 HydrophobicContact CE-CZ 3.72Å; V759-F763 HydrophobicContact CG1-CD2 3.77Å; V759-F763 HydrophobicContact CG1-CE2 3.69Å; V759-F763 WeakPolarHBondContact O-CD2 3.45Å; V759-F763 PolarHBondContact O-N 2.83Å; V759-F763 VanDerWaalsContact O-N 3.17Å; F763-E765 VanDerWaalsContact C-N 3.26Å; F763-E765 PolarHBondContact O-N 3.31Å; F763-A766 CarbonylContact O-C 3.55Å; F763-A766 PolarHBondContact O-N 3.13Å; F763-L767 HydrophobicContact CB-CD1 4.39Å; F763-L767 WeakPolarHBondContact O-CB 3.49Å; F763-L767 VanDerWaalsContact O-CD1 3.27Å; F763-L767 WeakPolarHBondContact O-CD1 3.29Å; F763-L767 WeakPolarHBondContact O-CG 3.27Å; F763-L767 PolarHBondContact O-N 2.52Å
764	R	50.9	Low	41.8	Very low	194 Å²	194	111.3 Å²	111.3	73%	0.732	58%	0.582	S	S	*	*	H	α-helix	trans	-55	-41.8	170	-95.8	-175.3	-172	153.2	5.5	112.5	D760 A761 L767 R768	D760-R764 WeakPolarHBondContact O-CB 3.47Å; D760-R764 PolarHBondContact O-N 3.04Å; A761-R764 PolarHBondContact O-N 3.04Å; R764-L767 PolarHBondContact O-N 3.42Å; R764-R768 PolarHBondContact O-N 3.32Å
765	E	47.5	Very low	42.5	Very low	120 Å²	120	107.8 Å²	107.8	56%	0.561	58%	0.579	S	S	*	*	H	α-helix	trans	-70.5	-39.7	178.2	-161.4	62.4	-147.2	0	0	111.6	A761 Y762 F763 L767 R768	A761-E765 PolarHBondContact O-N 2.93Å; A761-E765 VanDerWaalsContact O-N 3.13Å; Y762-E765 PolarHBondContact O-N 3.02Å; F763-E765 VanDerWaalsContact C-N 3.26Å; F763-E765 PolarHBondContact O-N 3.31Å; E765-L767 PolarHBondContact O-N 3.21Å; E765-R768 PolarHBondContact O-N 3.13Å; E765-R768 IonicContact OE1-CZ 2.69Å; E765-R768 IonicContact OE1-NH1 3.26Å; E765-R768 PolarHBondContact OE1-NH1 3.35Å; E765-R768 IonicContact OE2-NH1 2.71Å
766	A	47.1	Very low	43.7	Very low	62 Å²	62	113 Å²	113	51%	0.512	59%	0.585	S	S	.	*	H	α-helix	trans	-64.9	-22.6	172	0	0	0	0	0	113.4	Y762 F763	Y762-A766 PolarHBondContact O-N 3.2Å; Y762-A766 VanDerWaalsContact O-N 3.1Å; F763-A766 CarbonylContact O-C 3.55Å; F763-A766 PolarHBondContact O-N 3.13Å
767	L	44.9	Very low	45.4	Very low	65 Å²	65	108 Å²	108	34%	0.34	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.3	0.1	-178.2	-75.5	164.2	0	0	0	114.4	M447 F763 R764 E765 V769	M447-L767 HydrophobicContact CE-CD1 4.3Å; M447-L767 HydrophobicContact SD-CD1 3.7Å; F763-L767 HydrophobicContact CB-CD1 4.39Å; F763-L767 WeakPolarHBondContact O-CB 3.49Å; F763-L767 VanDerWaalsContact O-CD1 3.27Å; F763-L767 WeakPolarHBondContact O-CD1 3.29Å; F763-L767 WeakPolarHBondContact O-CG 3.27Å; F763-L767 PolarHBondContact O-N 2.52Å; R764-L767 PolarHBondContact O-N 3.42Å; E765-L767 PolarHBondContact O-N 3.21Å; L767-V769 PolarHBondContact O-N 3.48Å
768	R	42.9	Very low	47.1	Very low	185 Å²	185	105.3 Å²	105.3	70%	0.698	56%	0.558	S	S	*	*			trans	-64.2	84.2	171.9	-99.7	-176.7	172.5	155.5	-6	110.4	R764 E765	R764-R768 PolarHBondContact O-N 3.32Å; E765-R768 PolarHBondContact O-N 3.13Å; E765-R768 IonicContact OE1-CZ 2.69Å; E765-R768 IonicContact OE1-NH1 3.26Å; E765-R768 PolarHBondContact OE1-NH1 3.35Å; E765-R768 IonicContact OE2-NH1 2.71Å
769	V	40.7	Very low	48.4	Very low	84 Å²	84	110.1 Å²	110.1	51%	0.509	56%	0.562	S	S	.	*			trans	-123.8	85.4	164.8	-166.8	0	0	0	0	104	L767 E771	L767-V769 PolarHBondContact O-N 3.48Å; V769-E771 PolarHBondContact O-N 3.07Å; V769-E771 VanDerWaalsContact O-N 3.1Å
770	S	36.1	Very low	49.9	Very low	114 Å²	114	109.4 Å²	109.4	80%	0.797	56%	0.558	S	S	*	*			trans	-63.2	109.4	166.1	45.2	0	0	0	0	106.9
771	E	31.6	Very low	51	Low	166 Å²	166	109.7 Å²	109.7	78%	0.776	57%	0.566	S	S	*	*			trans	-56.9	138.2	168.1	-74.9	179.3	168.6	0	0	108.9	V769 K773	V769-E771 PolarHBondContact O-N 3.07Å; V769-E771 VanDerWaalsContact O-N 3.1Å; E771-K773 PolarHBondContact O-N 3.46Å
772	P	34.7	Very low	52.1	Low	128 Å²	128	116.7 Å²	116.7	83%	0.831	59%	0.585	S	S	*	*			trans	-63.2	108.6	-178.7	23.8	-30.4	0	0	0	108.8	I774	P772-I774 PolarHBondContact O-N 2.7Å
773	K	36.3	Very low	53.3	Low	197 Å²	197	115 Å²	115	86%	0.857	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-64.5	125	173.9	-69.9	-175.2	176.9	-177.2	0	108.2	E771	E771-K773 PolarHBondContact O-N 3.46Å
774	I	44	Very low	54.6	Low	129 Å²	129	116.1 Å²	116.1	66%	0.662	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-47.2	130.2	172.3	-58.8	166	0	0	0	108.5	P772 K776	P772-I774 PolarHBondContact O-N 2.7Å; I774-K776 PolarHBondContact O-N 3.02Å
775	P	48.6	Very low	56	Low	121 Å²	121	113 Å²	113	79%	0.786	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-57.9	124.7	-178.1	19.1	-29	0	0	0	110.3
776	K	56.8	Low	57.7	Low	202 Å²	202	109 Å²	109	88%	0.878	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-67.1	138.5	-178.8	-71.1	-175.6	175.4	-174.4	0	110	I774	I774-K776 PolarHBondContact O-N 3.02Å
777	A	71.3	Confident	59.6	Low	31 Å²	31	108.4 Å²	108.4	26%	0.256	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-56.3	142.2	177.2	0	0	0	0	0	112	Y813	A777-Y813 HydrophobicContact CB-CE1 4.26Å; A777-Y813 HydrophobicContact CB-CE2 4.48Å; A777-Y813 WeakPolarHBondContact CB-OH 3.49Å
778	P	73.4	Confident	61.6	Low	48 Å²	48	107.9 Å²	107.9	31%	0.312	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-60.7	146	-177.9	-9.5	17	0	0	0	112.3	Y807 R808 I811 Y813	P778-Y807 HydrophobicContact CB-CE1 4.48Å; P778-R808 PolarHBondContact O-NE 3.32Å; P778-I811 HydrophobicContact CB-CD1 3.71Å; P778-I811 HydrophobicContact CG-CD1 3.79Å; P778-Y813 HydrophobicContact CG-CD2 3.75Å; P778-Y813 HydrophobicContact CG-CE2 4.06Å; P778-Y813 HydrophobicContact CG-CG 4.47Å
779	R	75.7	Confident	63.8	Low	167 Å²	167	99.2 Å²	99.2	63%	0.63	52%	0.523	S	S	*	.			trans	-126.5	155.5	176.2	-66.4	-172.6	179.3	-139.7	-0.3	110.4	Y807	R779-Y807 VanDerWaalsContact C-CE1 3.49Å; R779-Y807 WeakPolarHBondContact O-CE1 3.49Å
780	P	75.2	Confident	66.3	Low	20 Å²	20	96.1 Å²	96.1	13%	0.13	50%	0.503	C	S	.	.			trans	-60.9	144.4	175.6	-14.3	24.2	0	0	0	111.8	K782 Q783 Y807	P780-K782 VanDerWaalsContact C-N 3.29Å; P780-K782 PolarHBondContact O-N 3.14Å; P780-Q783 HydrophobicContact CB-CG 4.08Å; P780-Q783 HydrophobicContact CG-CG 3.96Å; P780-Y807 HydrophobicContact CB-CD1 4.36Å; P780-Y807 HydrophobicContact CB-CD2 4.21Å; P780-Y807 HydrophobicContact CB-CG 4.07Å; P780-Y807 HydrophobicContact CG-CD1 4.03Å; P780-Y807 HydrophobicContact CG-CD2 4.41Å; P780-Y807 HydrophobicContact CG-CG 3.8Å
781	P	69.6	Low	69	Low	115 Å²	115	90.8 Å²	90.8	75%	0.747	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.9	-171.9	22.1	-31.3	0	0	0	115.9
782	K	72.4	Confident	71.8	Confident	202 Å²	202	83.3 Å²	83.3	88%	0.878	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	31.2	-174	-67.5	-172.7	177.1	-179.1	0	114.4	P780	P780-K782 VanDerWaalsContact C-N 3.29Å; P780-K782 PolarHBondContact O-N 3.14Å
783	Q	72.1	Confident	74.4	Confident	43 Å²	43	78.3 Å²	78.3	20%	0.201	40%	0.398	C	S	.	.			trans	-69.7	140	176.5	-74.4	-156.9	-42	0	0	112.4	P780 N785 L800 I804	P780-Q783 HydrophobicContact CB-CG 4.08Å; P780-Q783 HydrophobicContact CG-CG 3.96Å; Q783-N785 PolarHBondContact O-N 3.41Å; Q783-L800 PolarHBondContact NE2-O 3.16Å; Q783-I804 VanDerWaalsContact NE2-CG1 3.29Å
784	P	76	Confident	76.7	Confident	45 Å²	45	73.1 Å²	73.1	29%	0.292	39%	0.385	S	S	.	.			trans	-62.3	134.7	172.1	25.6	-32.2	0	0	0	110	V786 L800 L853	P784-V786 PolarHBondContact O-N 2.67Å; P784-L800 HydrophobicContact CG-CD2 3.93Å; P784-L853 HydrophobicContact CB-CD1 4.39Å; P784-L853 HydrophobicContact CB-CD2 3.81Å; P784-L853 HydrophobicContact CG-CD1 4.08Å; P784-L853 HydrophobicContact CG-CD2 3.77Å
785	N	79.2	Confident	78.9	Confident	130 Å²	130	71.1 Å²	71.1	70%	0.695	37%	0.369	S	S	*	.			trans	-79.8	85.1	-179.8	-177.5	28.3	0	0	0	110.3	Q783	Q783-N785 PolarHBondContact O-N 3.41Å
786	V	83.4	Confident	80.8	Confident	36 Å²	36	65.4 Å²	65.4	22%	0.218	33%	0.331	C	S	.	.			trans	-84.8	124.2	177.2	-65.2	0	0	0	0	110.6	P784 F792 L796 F797 L800 L853	P784-V786 PolarHBondContact O-N 2.67Å; V786-F792 HydrophobicContact CB-CD2 3.96Å; V786-F792 HydrophobicContact CB-CE2 3.99Å; V786-F792 HydrophobicContact CG1-CD2 3.9Å; V786-F792 HydrophobicContact CG1-CE2 3.79Å; V786-F792 HydrophobicContact CG1-CZ 4.35Å; V786-L796 HydrophobicContact CG1-CD2 4.01Å; V786-F797 HydrophobicContact CG2-CE1 3.92Å; V786-L800 HydrophobicContact CG1-CD1 4.29Å; V786-L800 HydrophobicContact CG2-CD1 3.93Å; V786-L853 HydrophobicContact CG1-CD2 4.17Å
787	Q	86.5	Confident	82.3	Confident	49 Å²	49	59.9 Å²	59.9	23%	0.229	31%	0.308	C	S	.	.			trans	-107.6	148.6	173	-66.9	-178.3	73.4	0	0	110.1	F789 Q790	Q787-F789 VanDerWaalsContact C-N 3.34Å; Q787-F789 HydrophobicContact CB-CD1 3.93Å; Q787-F789 HydrophobicContact CB-CE1 3.51Å; Q787-F789 HydrophobicContact CB-CE2 4.39Å; Q787-F789 HydrophobicContact CB-CZ 3.74Å; Q787-F789 HydrophobicContact CG-CE1 4.07Å; Q787-F789 HydrophobicContact CG-CZ 4.23Å; Q787-F789 PolarHBondContact O-N 3.11Å; Q787-Q790 HydrophobicContact CB-CG 4.36Å; Q787-Q790 VanDerWaalsContact N-OE1 3.11Å; Q787-Q790 WeakPolarHBondContact O-CB 3.44Å; Q787-Q790 PolarHBondContact O-N 3.44Å; Q787-Q790 VanDerWaalsContact O-N 3.09Å
788	D	86.7	Confident	83.1	Confident	53 Å²	53	63 Å²	63	28%	0.283	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-60	-40.6	-176.1	54.6	-10.4	0	0	0	112.6	Q790 F791 L909 Q910	D788-Q790 PolarHBondContact O-N 3.1Å; D788-F791 PolarHBondContact O-N 3.41Å; D788-L909 HydrophobicContact CB-CD2 3.99Å; D788-Q910 PolarHBondContact OD2-N 2.99Å
789	F	90.3	Very high	83.9	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.018	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-66.5	-6	176.2	67.1	-102.2	0	0	0	115.2	Q787 F791 K862 F865 Y898 L909	Q787-F789 VanDerWaalsContact C-N 3.34Å; Q787-F789 HydrophobicContact CB-CD1 3.93Å; Q787-F789 HydrophobicContact CB-CE1 3.51Å; Q787-F789 HydrophobicContact CB-CE2 4.39Å; Q787-F789 HydrophobicContact CB-CZ 3.74Å; Q787-F789 HydrophobicContact CG-CE1 4.07Å; Q787-F789 HydrophobicContact CG-CZ 4.23Å; Q787-F789 PolarHBondContact O-N 3.11Å; F789-F791 VanDerWaalsContact C-N 3.32Å; F789-F791 VanDerWaalsContact O-CD2 3.22Å; F789-F791 WeakPolarHBondContact O-CD2 3.48Å; F789-F791 WeakPolarHBondContact O-CE2 3.49Å; F789-K862 HydrophobicContact CE1-CB 4.09Å; F789-K862 HydrophobicContact CE1-CG 4.25Å; F789-K862 HydrophobicContact CZ-CB 3.89Å; F789-F865 HydrophobicContact CB-CD1 4.18Å; F789-F865 HydrophobicContact CB-CD2 3.7Å; F789-F865 HydrophobicContact CB-CE1 4.25Å; F789-F865 HydrophobicContact CB-CE2 3.76Å; F789-F865 HydrophobicContact CB-CG 3.88Å; F789-F865 HydrophobicContact CB-CZ 4.02Å; F789-F865 HydrophobicContact CD1-CB 4.46Å; F789-F865 AromaticContact CD1-CD1 3.99Å; F789-F865 HydrophobicContact CD1-CD1 3.99Å; F789-F865 HydrophobicContact CD1-CE1 4.43Å; F789-F865 HydrophobicContact CD1-CG 4.18Å; F789-F865 HydrophobicContact CD2-CB 3.96Å; F789-F865 HydrophobicContact CD2-CG 4.21Å; F789-F865 HydrophobicContact CE2-CB 4.3Å; F789-F865 HydrophobicContact CG-CB 4.07Å; F789-F865 HydrophobicContact CG-CD1 4.09Å; F789-F865 HydrophobicContact CG-CD2 4.14Å; F789-F865 AromaticContact CG-CG 3.84Å; F789-F865 HydrophobicContact CG-CG 3.84Å; F789-Y898 WeakPolarHBondContact O-CE2 3.34Å; F789-Y898 PolarHBondContact O-OH 3.35Å; F789-L909 HydrophobicContact CB-CD2 3.92Å
790	Q	92.6	Very high	84.5	Confident	18 Å²	18	53.2 Å²	53.2	8%	0.084	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-87.8	-5.4	173.9	-60	-179.4	-68.3	0	0	112.4	Q787 D788 F792 G856 F857 W860	Q787-Q790 HydrophobicContact CB-CG 4.36Å; Q787-Q790 VanDerWaalsContact N-OE1 3.11Å; Q787-Q790 WeakPolarHBondContact O-CB 3.44Å; Q787-Q790 PolarHBondContact O-N 3.44Å; Q787-Q790 VanDerWaalsContact O-N 3.09Å; D788-Q790 PolarHBondContact O-N 3.1Å; Q790-F792 VanDerWaalsContact C-N 3.33Å; Q790-F792 HydrophobicContact CB-CD2 3.89Å; Q790-F792 HydrophobicContact CB-CE2 3.46Å; Q790-F792 VanDerWaalsContact CB-CE2 3.46Å; Q790-F792 HydrophobicContact CB-CZ 4.15Å; Q790-F792 HydrophobicContact CG-CE2 4.29Å; Q790-F792 PolarHBondContact O-N 3.47Å; Q790-G856 CarbonylContact O-C 3.58Å; Q790-G856 WeakPolarHBondContact O-CA 3.43Å; Q790-F857 PolarHBondContact NE2-O 2.84Å; Q790-F857 PolarHBondContact O-N 2.97Å; Q790-W860 PolarHBondContact NE2-O 2.84Å
791	F	92.2	Very high	85.1	Confident	3 Å²	3	57.1 Å²	57.1	1%	0.013	29%	0.291	C	S	.	.			trans	53.9	42	171.3	-61.2	-68.6	0	0	0	114.5	D788 F789 F857 Y898 V901 F902 R905 L909	D788-F791 PolarHBondContact O-N 3.41Å; F789-F791 VanDerWaalsContact C-N 3.32Å; F789-F791 VanDerWaalsContact O-CD2 3.22Å; F789-F791 WeakPolarHBondContact O-CD2 3.48Å; F789-F791 WeakPolarHBondContact O-CE2 3.49Å; F791-F857 HydrophobicContact CB-CD2 4.2Å; F791-F857 HydrophobicContact CB-CE2 4.38Å; F791-F857 AromaticContact CD2-CD2 3.98Å; F791-F857 HydrophobicContact CD2-CD2 3.98Å; F791-F857 HydrophobicContact CD2-CE2 4.11Å; F791-Y898 HydrophobicContact CD2-CE2 4.13Å; F791-Y898 HydrophobicContact CE2-CE2 4.03Å; F791-Y898 AromaticContact CE2-CZ 3.9Å; F791-V901 HydrophobicContact CB-CG1 4.2Å; F791-V901 HydrophobicContact CD2-CG1 4.24Å; F791-V901 HydrophobicContact CG-CG1 4.15Å; F791-F902 HydrophobicContact CE2-CB 4.16Å; F791-F902 HydrophobicContact CE2-CD2 4.19Å; F791-F902 HydrophobicContact CZ-CB 4.28Å; F791-F902 AromaticContact CZ-CD2 3.88Å; F791-F902 HydrophobicContact CZ-CD2 3.88Å; F791-F902 HydrophobicContact CZ-CG 4.49Å; F791-R905 HydrophobicContact CD1-CB 3.77Å; F791-R905 HydrophobicContact CE1-CB 3.83Å; F791-R905 WeakPolarHBondContact CE1-O 3.38Å; F791-R905 PolarHBondContact O-NH1 3.03Å; F791-R905 PolarHBondContact O-NH2 3.35Å; F791-R905 VanDerWaalsContact O-NH2 3.14Å; F791-L909 HydrophobicContact CE1-CD2 4.28Å; F791-L909 HydrophobicContact CE1-CG 4.37Å; F791-L909 HydrophobicContact CZ-CD1 4.34Å; F791-L909 HydrophobicContact CZ-CD2 4.24Å; F791-L909 HydrophobicContact CZ-CG 4.38Å
792	F	90.7	Very high	85.9	Confident	8 Å²	8	55.8 Å²	55.8	4%	0.035	27%	0.273	C	S	.	.			trans	-61.7	153.4	172.7	-68.3	-76.4	0	0	0	111.9	V786 Q790 L796 F797 L853 T858 R905	V786-F792 HydrophobicContact CB-CD2 3.96Å; V786-F792 HydrophobicContact CB-CE2 3.99Å; V786-F792 HydrophobicContact CG1-CD2 3.9Å; V786-F792 HydrophobicContact CG1-CE2 3.79Å; V786-F792 HydrophobicContact CG1-CZ 4.35Å; Q790-F792 VanDerWaalsContact C-N 3.33Å; Q790-F792 HydrophobicContact CB-CD2 3.89Å; Q790-F792 HydrophobicContact CB-CE2 3.46Å; Q790-F792 VanDerWaalsContact CB-CE2 3.46Å; Q790-F792 HydrophobicContact CB-CZ 4.15Å; Q790-F792 HydrophobicContact CG-CE2 4.29Å; Q790-F792 PolarHBondContact O-N 3.47Å; F792-L796 HydrophobicContact CB-CD2 3.7Å; F792-L796 HydrophobicContact CD1-CD2 3.74Å; F792-L796 HydrophobicContact CD2-CD2 4.44Å; F792-L796 HydrophobicContact CG-CD2 3.7Å; F792-F797 HydrophobicContact CB-CE2 4.19Å; F792-F797 HydrophobicContact CB-CZ 4.36Å; F792-L853 WeakPolarHBondContact CE1-O 3.31Å; F792-T858 HydrophobicContact CE1-CG2 3.98Å; F792-T858 HydrophobicContact CZ-CG2 3.95Å; F792-R905 PolarHBondContact O-NH2 3.37Å; F792-R905 VanDerWaalsContact O-NH2 3.08Å
793	P	88.8	Confident	86.6	Confident	24 Å²	24	48.8 Å²	48.8	16%	0.156	24%	0.244	C	C	.	.			trans	-61.7	142.1	176.2	-23.6	34.2	0	0	0	112.5	R795 L796 L852 Q855	P793-R795 PolarHBondContact O-N 3.23Å; P793-R795 VanDerWaalsContact O-N 3.09Å; P793-L796 WeakPolarHBondContact O-CB 3.44Å; P793-L796 PolarHBondContact O-N 3.37Å; P793-L852 HydrophobicContact CB-CD2 4Å; P793-L852 HydrophobicContact CG-CD2 3.9Å; P793-Q855 HydrophobicContact CG-CB 4.06Å
794	P	85.4	Confident	87.3	Confident	88 Å²	88	47.8 Å²	47.8	57%	0.571	24%	0.24	S	C	*	.	H	α-helix	trans	-51.7	-35.9	178.5	-29.7	35.9	0	0	0	113.9	L796 F797 E798	P794-L796 PolarHBondContact O-N 2.99Å; P794-F797 WeakPolarHBondContact O-CB 3.28Å; P794-F797 PolarHBondContact O-N 3.05Å; P794-E798 PolarHBondContact O-N 3.44Å
795	R	89.4	Confident	87.8	Confident	87 Å²	87	47 Å²	47	33%	0.328	23%	0.233	S	C	.	.	H	α-helix	trans	-56.6	-32.4	178	-175.9	57.5	176.9	170.2	3.4	113.5	P793 F797 E798 L799 E848 L852	P793-R795 PolarHBondContact O-N 3.23Å; P793-R795 VanDerWaalsContact O-N 3.09Å; R795-F797 VanDerWaalsContact C-N 3.31Å; R795-F797 PolarHBondContact O-N 3.33Å; R795-E798 VanDerWaalsContact CD-OE2 3.28Å; R795-E798 WeakPolarHBondContact CD-OE2 3.41Å; R795-E798 IonicContact CZ-OE2 2.66Å; R795-E798 IonicContact NE-OE2 2.84Å; R795-E798 IonicContact NH1-OE2 3.47Å; R795-E798 PolarHBondContact NH1-OE2 3.42Å; R795-E798 PolarHBondContact O-N 3.44Å; R795-L799 PolarHBondContact O-N 3.04Å; R795-E848 VanDerWaalsContact CG-OE1 3.27Å; R795-E848 WeakPolarHBondContact CG-OE1 3.37Å; R795-E848 IonicContact NE-OE1 3.56Å; R795-E848 PolarHBondContact NE-OE1 3.08Å; R795-E848 VanDerWaalsContact NE-OE1 3.08Å; R795-E848 IonicContact NE-OE2 2.73Å; R795-E848 IonicContact NH2-OE2 3.48Å; R795-E848 PolarHBondContact NH2-OE2 3.34Å; R795-L852 HydrophobicContact CB-CD1 3.96Å; R795-L852 HydrophobicContact CG-CD1 3.68Å
796	L	89.6	Confident	88.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.9	-39.9	176.6	179	63.2	0	0	0	111.4	V786 F792 P793 P794 E798 L799 L800 K849 L852 L853	V786-L796 HydrophobicContact CG1-CD2 4.01Å; F792-L796 HydrophobicContact CB-CD2 3.7Å; F792-L796 HydrophobicContact CD1-CD2 3.74Å; F792-L796 HydrophobicContact CD2-CD2 4.44Å; F792-L796 HydrophobicContact CG-CD2 3.7Å; P793-L796 WeakPolarHBondContact O-CB 3.44Å; P793-L796 PolarHBondContact O-N 3.37Å; P794-L796 PolarHBondContact O-N 2.99Å; L796-E798 VanDerWaalsContact C-N 3.32Å; L796-E798 PolarHBondContact O-N 2.88Å; L796-L799 PolarHBondContact O-N 3.41Å; L796-L800 HydrophobicContact CD1-CD1 4.38Å; L796-L800 HydrophobicContact CD1-CG 4.37Å; L796-L800 HydrophobicContact CG-CD1 4.02Å; L796-L800 HydrophobicContact CG-CG 4.42Å; L796-L800 WeakPolarHBondContact O-CG 3.42Å; L796-L800 PolarHBondContact O-N 2.97Å; L796-K849 HydrophobicContact CD1-CG 3.93Å; L796-L852 HydrophobicContact CB-CB 4.11Å; L796-L852 HydrophobicContact CB-CD1 4.4Å; L796-L852 HydrophobicContact CD1-CB 4.07Å; L796-L853 HydrophobicContact CD1-CD2 4.09Å; L796-L853 HydrophobicContact CD1-CG 3.93Å; L796-L853 HydrophobicContact CD2-CD2 3.79Å; L796-L853 HydrophobicContact CD2-CG 4.34Å
797	F	88.6	Confident	88.4	Confident	87 Å²	87	46.7 Å²	46.7	38%	0.382	22%	0.219	S	C	.	.	H	α-helix	trans	-68.2	-33.9	-179.1	-61.3	-83.2	0	0	0	111.7	V786 F792 P794 R795 L800 E801	V786-F797 HydrophobicContact CG2-CE1 3.92Å; F792-F797 HydrophobicContact CB-CE2 4.19Å; F792-F797 HydrophobicContact CB-CZ 4.36Å; P794-F797 WeakPolarHBondContact O-CB 3.28Å; P794-F797 PolarHBondContact O-N 3.05Å; R795-F797 VanDerWaalsContact C-N 3.31Å; R795-F797 PolarHBondContact O-N 3.33Å; F797-L800 PolarHBondContact O-N 3.09Å; F797-E801 VanDerWaalsContact O-CB 3.3Å; F797-E801 WeakPolarHBondContact O-CB 3.37Å; F797-E801 PolarHBondContact O-N 3.17Å
798	E	88.5	Confident	88.4	Confident	95 Å²	95	46.6 Å²	46.6	44%	0.444	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-44.7	173.3	-60.6	178.6	175.6	0	0	111.6	P794 R795 L796 E801 K802	P794-E798 PolarHBondContact O-N 3.44Å; R795-E798 VanDerWaalsContact CD-OE2 3.28Å; R795-E798 WeakPolarHBondContact CD-OE2 3.41Å; R795-E798 IonicContact CZ-OE2 2.66Å; R795-E798 IonicContact NE-OE2 2.84Å; R795-E798 IonicContact NH1-OE2 3.47Å; R795-E798 PolarHBondContact NH1-OE2 3.42Å; R795-E798 PolarHBondContact O-N 3.44Å; L796-E798 VanDerWaalsContact C-N 3.32Å; L796-E798 PolarHBondContact O-N 2.88Å; E798-E801 PolarHBondContact O-N 3.34Å; E798-K802 WeakPolarHBondContact O-CG 3.46Å; E798-K802 PolarHBondContact O-N 3.32Å
799	L	89.2	Confident	88.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-41.9	178	-62.8	177.7	0	0	0	111.7	R795 L796 E801 K802 E803 L841 E845 E848 K849 L852	R795-L799 PolarHBondContact O-N 3.04Å; L796-L799 PolarHBondContact O-N 3.41Å; L799-E801 VanDerWaalsContact C-N 3.33Å; L799-E801 PolarHBondContact O-N 3.3Å; L799-K802 PolarHBondContact O-N 2.78Å; L799-E803 PolarHBondContact O-N 3.08Å; L799-E803 VanDerWaalsContact O-N 3.09Å; L799-L841 HydrophobicContact CB-CD2 4.41Å; L799-L841 HydrophobicContact CD2-CD2 3.91Å; L799-E845 HydrophobicContact CD2-CB 4.03Å; L799-E845 HydrophobicContact CD2-CG 4.11Å; L799-E848 HydrophobicContact CD1-CB 4.29Å; L799-E848 HydrophobicContact CD1-CG 4.27Å; L799-K849 HydrophobicContact CD1-CB 3.95Å; L799-L852 HydrophobicContact CD1-CD1 3.96Å
800	L	88.4	Confident	88.1	Confident	10 Å²	10	52 Å²	52	5%	0.052	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-35.6	174.8	-69.7	174.1	0	0	0	112.1	Q783 P784 V786 L796 F797 E803 I804 K849	Q783-L800 PolarHBondContact NE2-O 3.16Å; P784-L800 HydrophobicContact CG-CD2 3.93Å; V786-L800 HydrophobicContact CG1-CD1 4.29Å; V786-L800 HydrophobicContact CG2-CD1 3.93Å; L796-L800 HydrophobicContact CD1-CD1 4.38Å; L796-L800 HydrophobicContact CD1-CG 4.37Å; L796-L800 HydrophobicContact CG-CD1 4.02Å; L796-L800 HydrophobicContact CG-CG 4.42Å; L796-L800 WeakPolarHBondContact O-CG 3.42Å; L796-L800 PolarHBondContact O-N 2.97Å; F797-L800 PolarHBondContact O-N 3.09Å; L800-E803 PolarHBondContact O-N 3.1Å; L800-I804 VanDerWaalsContact O-CG1 3.25Å; L800-I804 WeakPolarHBondContact O-CG1 3.29Å; L800-I804 PolarHBondContact O-N 3.46Å; L800-K849 HydrophobicContact CD2-CD 4.3Å
801	E	88	Confident	87.8	Confident	103 Å²	103	54.9 Å²	54.9	48%	0.481	26%	0.259	S	S	.	.	H	α-helix	trans	-66.9	-44.5	175.4	-173.8	175.1	-169	0	0	111.3	F797 E798 L799 E803 I804 L805	F797-E801 VanDerWaalsContact O-CB 3.3Å; F797-E801 WeakPolarHBondContact O-CB 3.37Å; F797-E801 PolarHBondContact O-N 3.17Å; E798-E801 PolarHBondContact O-N 3.34Å; L799-E801 VanDerWaalsContact C-N 3.33Å; L799-E801 PolarHBondContact O-N 3.3Å; E801-E803 VanDerWaalsContact C-N 3.29Å; E801-E803 PolarHBondContact O-N 3.32Å; E801-I804 PolarHBondContact O-N 3.34Å; E801-I804 VanDerWaalsContact O-N 3.16Å; E801-L805 HydrophobicContact CG-CD1 4.17Å; E801-L805 HydrophobicContact CG-CG 4.41Å; E801-L805 WeakPolarHBondContact O-CG 3.19Å; E801-L805 PolarHBondContact O-N 2.8Å
802	K	87.1	Confident	87.3	Confident	86 Å²	86	57.2 Å²	57.2	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-54.3	-46.3	172.3	-76.9	-174	178.2	-168.5	0	111.6	E798 L799 I804 L805 Y806 L841 E845	E798-K802 WeakPolarHBondContact O-CG 3.46Å; E798-K802 PolarHBondContact O-N 3.32Å; L799-K802 PolarHBondContact O-N 2.78Å; K802-I804 PolarHBondContact O-N 3.05Å; K802-L805 PolarHBondContact O-N 3.14Å; K802-Y806 WeakPolarHBondContact O-CB 3.39Å; K802-Y806 PolarHBondContact O-N 2.95Å; K802-L841 HydrophobicContact CB-CD2 3.93Å; K802-L841 HydrophobicContact CD-CD2 3.95Å; K802-E845 IonicContact NZ-OE1 3.46Å; K802-E845 PolarHBondContact NZ-OE1 3.08Å; K802-E845 IonicContact NZ-OE2 2.65Å
803	E	85.8	Confident	87	Confident	56 Å²	56	59 Å²	59	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-63.3	-39.3	178.4	-167	174.2	-139.1	0	0	112.3	L799 L800 E801 Y807 L841 K849	L799-E803 PolarHBondContact O-N 3.08Å; L799-E803 VanDerWaalsContact O-N 3.09Å; L800-E803 PolarHBondContact O-N 3.1Å; E801-E803 VanDerWaalsContact C-N 3.29Å; E801-E803 PolarHBondContact O-N 3.32Å; E803-Y807 WeakPolarHBondContact O-CB 3.2Å; E803-Y807 PolarHBondContact O-N 3.15Å; E803-L841 HydrophobicContact CB-CD1 4.23Å; E803-K849 IonicContact OE1-NZ 3.81Å; E803-K849 PolarHBondContact OE1-NZ 3.24Å; E803-K849 IonicContact OE2-NZ 3.66Å; E803-K849 PolarHBondContact OE2-NZ 2.71Å
804	I	86.6	Confident	86.7	Confident	22 Å²	22	64.4 Å²	64.4	11%	0.113	31%	0.312	C	S	.	.	H	α-helix	trans	-64.1	-46.3	174.6	-69.9	164.8	0	0	0	111.1	Q783 L800 E801 K802 Y807 R808	Q783-I804 VanDerWaalsContact NE2-CG1 3.29Å; L800-I804 VanDerWaalsContact O-CG1 3.25Å; L800-I804 WeakPolarHBondContact O-CG1 3.29Å; L800-I804 PolarHBondContact O-N 3.46Å; E801-I804 PolarHBondContact O-N 3.34Å; E801-I804 VanDerWaalsContact O-N 3.16Å; K802-I804 PolarHBondContact O-N 3.05Å; I804-Y807 PolarHBondContact O-N 3.28Å; I804-R808 HydrophobicContact CG2-CG 4.46Å; I804-R808 WeakPolarHBondContact O-CB 3.41Å; I804-R808 VanDerWaalsContact O-CG 3.3Å; I804-R808 WeakPolarHBondContact O-CG 3.49Å; I804-R808 PolarHBondContact O-N 3.27Å
805	L	87.3	Confident	86.5	Confident	28 Å²	28	60.6 Å²	60.6	15%	0.147	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-43.1	-178.5	-69.4	173.2	0	0	0	111.1	E801 K802 R808 K809 K834 I835 A838	E801-L805 HydrophobicContact CG-CD1 4.17Å; E801-L805 HydrophobicContact CG-CG 4.41Å; E801-L805 WeakPolarHBondContact O-CG 3.19Å; E801-L805 PolarHBondContact O-N 2.8Å; K802-L805 PolarHBondContact O-N 3.14Å; L805-R808 PolarHBondContact O-N 3.09Å; L805-K809 PolarHBondContact O-N 3.38Å; L805-K834 HydrophobicContact CD1-CB 4.33Å; L805-K834 HydrophobicContact CD2-CB 4.32Å; L805-I835 HydrophobicContact CD2-CG1 3.76Å; L805-A838 VanDerWaalsContact C-CB 3.48Å; L805-A838 HydrophobicContact CB-CB 3.69Å
806	Y	86.9	Confident	85.9	Confident	90 Å²	90	60.5 Å²	60.5	35%	0.353	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-43.6	175.3	-177.7	-108.8	0	0	0	111.6	K802 R808 K809 T810 P840	K802-Y806 WeakPolarHBondContact O-CB 3.39Å; K802-Y806 PolarHBondContact O-N 2.95Å; Y806-R808 VanDerWaalsContact C-N 3.34Å; Y806-R808 PolarHBondContact O-N 3.2Å; Y806-K809 WeakPolarHBondContact O-CB 3.43Å; Y806-K809 PolarHBondContact O-N 3.34Å; Y806-K809 VanDerWaalsContact O-N 3.14Å; Y806-T810 HydrophobicContact CD1-CG2 4.25Å; Y806-T810 HydrophobicContact CE1-CG2 3.83Å; Y806-T810 HydrophobicContact CE2-CG2 4.22Å; Y806-T810 WeakPolarHBondContact O-CG2 3.39Å; Y806-T810 PolarHBondContact O-N 3.28Å; Y806-T810 PolarHBondContact O-OG1 2.85Å; Y806-P840 HydrophobicContact CD1-CB 4.23Å; Y806-P840 HydrophobicContact CD2-CB 4.36Å; Y806-P840 HydrophobicContact CE1-CB 3.92Å; Y806-P840 HydrophobicContact CE2-CB 4.08Å; Y806-P840 HydrophobicContact CE2-CG 4.16Å; Y806-P840 HydrophobicContact CG-CB 4.44Å
807	Y	87	Confident	85.1	Confident	70 Å²	70	68.1 Å²	68.1	28%	0.275	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-39.7	174.9	-179.7	-102.8	0	0	0	112.9	P778 R779 P780 E803 I804 K809 T810 I811	P778-Y807 HydrophobicContact CB-CE1 4.48Å; R779-Y807 VanDerWaalsContact C-CE1 3.49Å; R779-Y807 WeakPolarHBondContact O-CE1 3.49Å; P780-Y807 HydrophobicContact CB-CD1 4.36Å; P780-Y807 HydrophobicContact CB-CD2 4.21Å; P780-Y807 HydrophobicContact CB-CG 4.07Å; P780-Y807 HydrophobicContact CG-CD1 4.03Å; P780-Y807 HydrophobicContact CG-CD2 4.41Å; P780-Y807 HydrophobicContact CG-CG 3.8Å; E803-Y807 WeakPolarHBondContact O-CB 3.2Å; E803-Y807 PolarHBondContact O-N 3.15Å; I804-Y807 PolarHBondContact O-N 3.28Å; Y807-K809 VanDerWaalsContact C-N 3.27Å; Y807-K809 PolarHBondContact O-N 3.01Å; Y807-T810 WeakPolarHBondContact CA-OG1 3.24Å; Y807-T810 PolarHBondContact O-N 3.35Å; Y807-T810 PolarHBondContact O-OG1 2.84Å; Y807-I811 HydrophobicContact CD1-CD1 4.28Å; Y807-I811 HydrophobicContact CE1-CD1 3.92Å; Y807-I811 HydrophobicContact CE1-CG2 4.25Å; Y807-I811 HydrophobicContact CE2-CG2 4.11Å; Y807-I811 WeakPolarHBondContact O-CG1 3.22Å; Y807-I811 PolarHBondContact O-N 3.27Å; Y807-I811 VanDerWaalsContact O-N 3.15Å
808	R	87.8	Confident	84.2	Confident	47 Å²	47	67 Å²	67	18%	0.177	33%	0.325	C	S	.	.	H	α-helix	trans	-63.8	-35.3	174.7	-76.1	173.9	-177.4	175.4	4.1	112	P778 I804 L805 Y806 I811 G812 Y813 I835	P778-R808 PolarHBondContact O-NE 3.32Å; I804-R808 HydrophobicContact CG2-CG 4.46Å; I804-R808 WeakPolarHBondContact O-CB 3.41Å; I804-R808 VanDerWaalsContact O-CG 3.3Å; I804-R808 WeakPolarHBondContact O-CG 3.49Å; I804-R808 PolarHBondContact O-N 3.27Å; L805-R808 PolarHBondContact O-N 3.09Å; Y806-R808 VanDerWaalsContact C-N 3.34Å; Y806-R808 PolarHBondContact O-N 3.2Å; R808-I811 WeakPolarHBondContact O-CG1 3.35Å; R808-G812 PolarHBondContact O-N 3.09Å; R808-Y813 HydrophobicContact CB-CD1 4.33Å; R808-Y813 HydrophobicContact CG-CD1 4.16Å; R808-Y813 HydrophobicContact CG-CG 4.42Å; R808-Y813 WeakPolarHBondContact O-CB 3.5Å; R808-Y813 PolarHBondContact O-N 3.16Å; R808-I835 HydrophobicContact CB-CD1 4.39Å; R808-I835 HydrophobicContact CB-CG1 4.28Å; R808-I835 HydrophobicContact CB-CG2 3.94Å
809	K	86.1	Confident	83.4	Confident	89 Å²	89	67.5 Å²	67.5	39%	0.387	34%	0.336	S	S	.	.	H	α-helix	trans	-65.9	-46	173.7	-174.6	-179.4	176.3	166.4	0	111.3	L805 Y806 Y807 I811 G812 I835 D836 A838	L805-K809 PolarHBondContact O-N 3.38Å; Y806-K809 WeakPolarHBondContact O-CB 3.43Å; Y806-K809 PolarHBondContact O-N 3.34Å; Y806-K809 VanDerWaalsContact O-N 3.14Å; Y807-K809 VanDerWaalsContact C-N 3.27Å; Y807-K809 PolarHBondContact O-N 3.01Å; K809-I811 VanDerWaalsContact C-N 3.31Å; K809-I811 PolarHBondContact O-N 2.75Å; K809-G812 PolarHBondContact O-N 3.25Å; K809-I835 HydrophobicContact CB-CG2 4Å; K809-I835 WeakPolarHBondContact CB-O 3.36Å; K809-I835 WeakPolarHBondContact CD-O 3.28Å; K809-D836 VanDerWaalsContact CE-O 3.24Å; K809-D836 WeakPolarHBondContact CE-O 3.33Å; K809-D836 PolarHBondContact NZ-O 2.93Å; K809-A838 HydrophobicContact CD-CB 4.33Å; K809-A838 VanDerWaalsContact CD-O 3.24Å; K809-A838 WeakPolarHBondContact CD-O 3.36Å; K809-A838 PolarHBondContact NZ-O 3.3Å
810	T	84.5	Confident	82.6	Confident	82 Å²	82	73.9 Å²	73.9	50%	0.503	37%	0.371	S	S	.	.	H	α-helix	trans	-66.1	-30.7	-177.8	56.6	0	0	0	0	113.4	Y806 Y807	Y806-T810 HydrophobicContact CD1-CG2 4.25Å; Y806-T810 HydrophobicContact CE1-CG2 3.83Å; Y806-T810 HydrophobicContact CE2-CG2 4.22Å; Y806-T810 WeakPolarHBondContact O-CG2 3.39Å; Y806-T810 PolarHBondContact O-N 3.28Å; Y806-T810 PolarHBondContact O-OG1 2.85Å; Y807-T810 WeakPolarHBondContact CA-OG1 3.24Å; Y807-T810 PolarHBondContact O-N 3.35Å; Y807-T810 PolarHBondContact O-OG1 2.84Å
811	I	86.2	Confident	81.9	Confident	77 Å²	77	77 Å²	77	40%	0.395	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1.2	174.4	70.2	-178.8	0	0	0	113.8	P778 Y807 R808 K809 Y813	P778-I811 HydrophobicContact CB-CD1 3.71Å; P778-I811 HydrophobicContact CG-CD1 3.79Å; Y807-I811 HydrophobicContact CD1-CD1 4.28Å; Y807-I811 HydrophobicContact CE1-CD1 3.92Å; Y807-I811 HydrophobicContact CE1-CG2 4.25Å; Y807-I811 HydrophobicContact CE2-CG2 4.11Å; Y807-I811 WeakPolarHBondContact O-CG1 3.22Å; Y807-I811 PolarHBondContact O-N 3.27Å; Y807-I811 VanDerWaalsContact O-N 3.15Å; R808-I811 WeakPolarHBondContact O-CG1 3.35Å; K809-I811 VanDerWaalsContact C-N 3.31Å; K809-I811 PolarHBondContact O-N 2.75Å; I811-Y813 VanDerWaalsContact C-N 3.35Å; I811-Y813 PolarHBondContact O-N 3.27Å
812	G	82.3	Confident	81.2	Confident	52 Å²	52	78.5 Å²	78.5	54%	0.536	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	30.3	-178.8	0	0	0	0	0	114.6	R808 K809 K814	R808-G812 PolarHBondContact O-N 3.09Å; K809-G812 PolarHBondContact O-N 3.25Å; G812-K814 PolarHBondContact O-N 2.79Å
813	Y	84.5	Confident	80.7	Confident	47 Å²	47	78.8 Å²	78.8	18%	0.184	41%	0.411	C	S	.	.			trans	-63.7	130.7	-178.2	178.4	-103.5	0	0	0	111.8	A777 P778 R808 I811 V815 P816 Q832 I835	A777-Y813 HydrophobicContact CB-CE1 4.26Å; A777-Y813 HydrophobicContact CB-CE2 4.48Å; A777-Y813 WeakPolarHBondContact CB-OH 3.49Å; P778-Y813 HydrophobicContact CG-CD2 3.75Å; P778-Y813 HydrophobicContact CG-CE2 4.06Å; P778-Y813 HydrophobicContact CG-CG 4.47Å; R808-Y813 HydrophobicContact CB-CD1 4.33Å; R808-Y813 HydrophobicContact CG-CD1 4.16Å; R808-Y813 HydrophobicContact CG-CG 4.42Å; R808-Y813 WeakPolarHBondContact O-CB 3.5Å; R808-Y813 PolarHBondContact O-N 3.16Å; I811-Y813 VanDerWaalsContact C-N 3.35Å; I811-Y813 PolarHBondContact O-N 3.27Å; Y813-V815 HydrophobicContact CE1-CG2 4.24Å; Y813-P816 VanDerWaalsContact OH-CD 3.27Å; Y813-P816 WeakPolarHBondContact OH-CD 3Å; Y813-Q832 PolarHBondContact O-NE2 2.82Å; Y813-I835 HydrophobicContact CD1-CD1 3.94Å; Y813-I835 HydrophobicContact CE1-CD1 4.42Å
814	K	82.3	Confident	80.3	Confident	137 Å²	137	77.2 Å²	77.2	60%	0.596	41%	0.405	S	S	*	.			trans	-109.1	126.6	174.7	-65.5	-60.9	-179.3	-171.8	0	110.7	G812 P816	G812-K814 PolarHBondContact O-N 2.79Å; K814-P816 VanDerWaalsContact O-CD 3.31Å; K814-P816 WeakPolarHBondContact O-CD 3.46Å
815	V	79.6	Confident	79.9	Confident	7 Å²	7	77.8 Å²	77.8	4%	0.042	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-65.9	121.3	-177.5	180	0	0	0	0	109.8	Y813 Q828 E831 Q832 I835	Y813-V815 HydrophobicContact CE1-CG2 4.24Å; V815-Q828 HydrophobicContact CB-CG 4.24Å; V815-Q828 HydrophobicContact CG1-CG 4.26Å; V815-Q828 WeakPolarHBondContact O-CG 3.49Å; V815-Q828 PolarHBondContact O-NE2 2.93Å; V815-E831 HydrophobicContact CB-CB 4.49Å; V815-E831 HydrophobicContact CG1-CB 4.1Å; V815-E831 WeakPolarHBondContact CG1-OE2 3.31Å; V815-E831 HydrophobicContact CG2-CB 3.87Å; V815-Q832 HydrophobicContact CG2-CB 4.47Å; V815-I835 HydrophobicContact CG2-CD1 3.5Å
816	P	77.6	Confident	79.6	Confident	86 Å²	86	80.7 Å²	80.7	56%	0.558	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-67.5	146.4	174.7	-19.4	32.3	0	0	0	112	Y813 K814 N818	Y813-P816 VanDerWaalsContact OH-CD 3.27Å; Y813-P816 WeakPolarHBondContact OH-CD 3Å; K814-P816 VanDerWaalsContact O-CD 3.31Å; K814-P816 WeakPolarHBondContact O-CD 3.46Å; P816-N818 PolarHBondContact O-N 3Å
817	R	71.9	Confident	79.2	Confident	160 Å²	160	77.8 Å²	77.8	60%	0.604	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-75.2	116.2	176.7	-172.6	174.2	174.2	169.7	1.4	110	P819 P824	R817-P819 WeakPolarHBondContact O-CD 3.44Å; R817-P824 HydrophobicContact CG-CB 3.61Å
818	N	70.9	Confident	79	Confident	63 Å²	63	77.6 Å²	77.6	34%	0.337	43%	0.425	S	S	.	.			trans	-87	111.7	176.7	-173.2	-8.5	0	0	0	110.8	P816 D820 I821 P824	P816-N818 PolarHBondContact O-N 3Å; N818-D820 PolarHBondContact O-N 2.99Å; N818-D820 PolarHBondContact OD1-N 3.04Å; N818-D820 VanDerWaalsContact OD1-N 3.12Å; N818-I821 HydrophobicContact CB-CD1 3.99Å; N818-I821 HydrophobicContact CB-CG1 4.27Å; N818-P824 VanDerWaalsContact O-CB 3.25Å; N818-P824 WeakPolarHBondContact O-CB 3.48Å; N818-P824 WeakPolarHBondContact O-CG 3.48Å
819	P	72.3	Confident	78.7	Confident	106 Å²	106	84.5 Å²	84.5	69%	0.688	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.7	-177.1	28.7	-34.5	0	0	0	114.3	R817 I821	R817-P819 WeakPolarHBondContact O-CD 3.44Å; P819-I821 VanDerWaalsContact C-N 3.34Å; P819-I821 PolarHBondContact O-N 3.21Å
820	D	71.6	Confident	78.7	Confident	134 Å²	134	86 Å²	86	72%	0.717	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.8	-173.5	-62.2	-36.5	0	0	0	113.9	N818	N818-D820 PolarHBondContact O-N 2.99Å; N818-D820 PolarHBondContact OD1-N 3.04Å; N818-D820 VanDerWaalsContact OD1-N 3.12Å
821	I	74.1	Confident	78.5	Confident	74 Å²	74	87.3 Å²	87.3	38%	0.379	46%	0.459	S	S	.	.	S	Bend	trans	-92.9	140	-178.7	-56.2	177.5	0	0	0	108.9	N818 P819 N823 P824	N818-I821 HydrophobicContact CB-CD1 3.99Å; N818-I821 HydrophobicContact CB-CG1 4.27Å; P819-I821 VanDerWaalsContact C-N 3.34Å; P819-I821 PolarHBondContact O-N 3.21Å; I821-N823 PolarHBondContact O-N 3.41Å; I821-P824 WeakPolarHBondContact O-CD 3.29Å; I821-P824 VanDerWaalsContact O-CG 3.26Å; I821-P824 WeakPolarHBondContact O-CG 3.3Å
822	P	73.7	Confident	78.5	Confident	135 Å²	135	84.8 Å²	84.8	88%	0.877	45%	0.446	S	S	*	.	S	Bend	trans	-53.4	-25.6	-177.1	-28.5	34.4	0	0	0	115.3
823	N	76.8	Confident	78.7	Confident	93 Å²	93	90 Å²	90	50%	0.497	45%	0.454	S	S	.	.	S	Bend	trans	-139.6	73.4	-179.7	-139.3	-17.8	0	0	0	112.4	I821 A825 L826 A827	I821-N823 PolarHBondContact O-N 3.41Å; N823-A825 VanDerWaalsContact C-N 3.28Å; N823-A825 PolarHBondContact O-N 2.69Å; N823-L826 HydrophobicContact CB-CB 4.49Å; N823-L826 PolarHBondContact O-N 3.27Å; N823-A827 PolarHBondContact O-N 3.49Å
824	P	77	Confident	78.8	Confident	22 Å²	22	93.8 Å²	93.8	14%	0.143	47%	0.471	C	S	.	.	H	α-helix	trans	-60.5	-34.4	-168.5	-26.5	36.3	0	0	0	114.2	R817 N818 I821 Q828	R817-P824 HydrophobicContact CG-CB 3.61Å; N818-P824 VanDerWaalsContact O-CB 3.25Å; N818-P824 WeakPolarHBondContact O-CB 3.48Å; N818-P824 WeakPolarHBondContact O-CG 3.48Å; I821-P824 WeakPolarHBondContact O-CD 3.29Å; I821-P824 VanDerWaalsContact O-CG 3.26Å; I821-P824 WeakPolarHBondContact O-CG 3.3Å; P824-Q828 VanDerWaalsContact O-CB 3.25Å; P824-Q828 WeakPolarHBondContact O-CB 3.27Å; P824-Q828 PolarHBondContact O-N 2.93Å
825	A	78.5	Confident	78.9	Confident	34 Å²	34	87.4 Å²	87.4	28%	0.281	44%	0.444	S	S	.	.	H	α-helix	trans	-73.3	-36	-175.3	0	0	0	0	0	112.5	N823 R829	N823-A825 VanDerWaalsContact C-N 3.28Å; N823-A825 PolarHBondContact O-N 2.69Å; A825-R829 WeakPolarHBondContact O-CB 3.33Å; A825-R829 WeakPolarHBondContact O-CG 3.24Å; A825-R829 PolarHBondContact O-N 3.42Å
826	L	79.5	Confident	79.1	Confident	89 Å²	89	90.9 Å²	90.9	47%	0.466	46%	0.462	S	S	.	.	H	α-helix	trans	-69.8	-49.6	175.7	-100.9	162.4	0	0	0	110.6	N823 Q828 R829 E830	N823-L826 HydrophobicContact CB-CB 4.49Å; N823-L826 PolarHBondContact O-N 3.27Å; L826-Q828 VanDerWaalsContact C-N 3.32Å; L826-Q828 PolarHBondContact O-N 3.22Å; L826-R829 PolarHBondContact O-N 3.33Å; L826-R829 VanDerWaalsContact O-N 3.1Å; L826-E830 WeakPolarHBondContact O-CG 3.46Å; L826-E830 PolarHBondContact O-N 3.25Å
827	A	78.5	Confident	79.5	Confident	29 Å²	29	89.4 Å²	89.4	24%	0.24	46%	0.463	C	S	.	.	H	α-helix	trans	-57.6	-44.2	178.3	0	0	0	0	0	112.2	N823 R829 E830 E831	N823-A827 PolarHBondContact O-N 3.49Å; A827-R829 PolarHBondContact O-N 2.93Å; A827-E830 PolarHBondContact O-N 3.11Å; A827-E831 PolarHBondContact O-N 3.42Å
828	Q	83	Confident	80.2	Confident	66 Å²	66	82.3 Å²	82.3	31%	0.308	44%	0.438	S	S	.	.	H	α-helix	trans	-60.6	-44.6	175.8	-173.2	-173.3	15.3	0	0	112.1	V815 P824 L826 Q832	V815-Q828 HydrophobicContact CB-CG 4.24Å; V815-Q828 HydrophobicContact CG1-CG 4.26Å; V815-Q828 WeakPolarHBondContact O-CG 3.49Å; V815-Q828 PolarHBondContact O-NE2 2.93Å; P824-Q828 VanDerWaalsContact O-CB 3.25Å; P824-Q828 WeakPolarHBondContact O-CB 3.27Å; P824-Q828 PolarHBondContact O-N 2.93Å; L826-Q828 VanDerWaalsContact C-N 3.32Å; L826-Q828 PolarHBondContact O-N 3.22Å; Q828-Q832 VanDerWaalsContact O-CB 3.26Å; Q828-Q832 WeakPolarHBondContact O-CB 3.36Å; Q828-Q832 PolarHBondContact O-N 3.3Å
829	R	81.6	Confident	81	Confident	192 Å²	192	86.4 Å²	86.4	73%	0.725	46%	0.455	S	S	*	.	H	α-helix	trans	-66	-40.3	179.1	-80	179.1	176.5	170.8	-0.5	112.2	A825 L826 A827 Q832 K833	A825-R829 WeakPolarHBondContact O-CB 3.33Å; A825-R829 WeakPolarHBondContact O-CG 3.24Å; A825-R829 PolarHBondContact O-N 3.42Å; L826-R829 PolarHBondContact O-N 3.33Å; L826-R829 VanDerWaalsContact O-N 3.1Å; A827-R829 PolarHBondContact O-N 2.93Å; R829-Q832 PolarHBondContact O-N 2.82Å; R829-K833 WeakPolarHBondContact O-CB 3.41Å; R829-K833 PolarHBondContact O-N 3.31Å
830	E	85.4	Confident	81.7	Confident	122 Å²	122	84.9 Å²	84.9	57%	0.57	45%	0.445	S	S	*	.	H	α-helix	trans	-66.6	-45.4	179	-73.1	179.9	169.5	0	0	112	L826 A827 K833 K834	L826-E830 WeakPolarHBondContact O-CG 3.46Å; L826-E830 PolarHBondContact O-N 3.25Å; A827-E830 PolarHBondContact O-N 3.11Å; E830-K833 PolarHBondContact O-N 2.82Å; E830-K834 PolarHBondContact O-N 3.39Å; E830-K834 VanDerWaalsContact O-N 3.15Å
831	E	82.4	Confident	82.4	Confident	108 Å²	108	80 Å²	80	51%	0.505	42%	0.419	S	S	.	.	H	α-helix	trans	-65.3	-40.1	175.1	-74.4	-166.7	168.6	0	0	112.1	V815 A827 K833 K834 I835	V815-E831 HydrophobicContact CB-CB 4.49Å; V815-E831 HydrophobicContact CG1-CB 4.1Å; V815-E831 WeakPolarHBondContact CG1-OE2 3.31Å; V815-E831 HydrophobicContact CG2-CB 3.87Å; A827-E831 PolarHBondContact O-N 3.42Å; E831-K833 VanDerWaalsContact C-N 3.31Å; E831-K833 PolarHBondContact O-N 3.22Å; E831-K834 WeakPolarHBondContact O-CB 3.3Å; E831-K834 PolarHBondContact O-N 2.94Å; E831-I835 PolarHBondContact O-N 2.79Å
832	Q	84.7	Confident	83.1	Confident	24 Å²	24	79.4 Å²	79.4	11%	0.112	42%	0.419	C	S	.	.	H	α-helix	trans	-63	-40.1	176.5	-168.9	64.2	52.3	0	0	111.2	Y813 V815 Q828 R829 K834 I835 D836	Y813-Q832 PolarHBondContact O-NE2 2.82Å; V815-Q832 HydrophobicContact CG2-CB 4.47Å; Q828-Q832 VanDerWaalsContact O-CB 3.26Å; Q828-Q832 WeakPolarHBondContact O-CB 3.36Å; Q828-Q832 PolarHBondContact O-N 3.3Å; R829-Q832 PolarHBondContact O-N 2.82Å; Q832-K834 VanDerWaalsContact C-N 3.31Å; Q832-K834 PolarHBondContact O-N 2.65Å; Q832-I835 PolarHBondContact O-N 3.19Å; Q832-I835 VanDerWaalsContact O-N 3.15Å; Q832-D836 PolarHBondContact NE2-OD1 3.5Å; Q832-D836 WeakPolarHBondContact O-CB 3.48Å; Q832-D836 PolarHBondContact O-N 3.5Å
833	K	86.6	Confident	83.8	Confident	163 Å²	163	78.5 Å²	78.5	71%	0.709	41%	0.413	S	S	*	.	H	α-helix	trans	-61.9	-37.4	176.4	-169.8	-179.9	-179.6	-175.8	0	112.3	R829 E830 E831 I835 D836 G837	R829-K833 WeakPolarHBondContact O-CB 3.41Å; R829-K833 PolarHBondContact O-N 3.31Å; E830-K833 PolarHBondContact O-N 2.82Å; E831-K833 VanDerWaalsContact C-N 3.31Å; E831-K833 PolarHBondContact O-N 3.22Å; K833-I835 VanDerWaalsContact C-N 3.35Å; K833-D836 PolarHBondContact O-N 3.48Å; K833-G837 PolarHBondContact O-N 2.92Å
834	K	86.6	Confident	84.4	Confident	125 Å²	125	81.7 Å²	81.7	54%	0.543	43%	0.425	S	S	.	.	H	α-helix	trans	-63.4	-39.7	174.2	-69.7	-179.5	179.9	-174.9	0	112.2	L805 E830 E831 Q832 A838	L805-K834 HydrophobicContact CD1-CB 4.33Å; L805-K834 HydrophobicContact CD2-CB 4.32Å; E830-K834 PolarHBondContact O-N 3.39Å; E830-K834 VanDerWaalsContact O-N 3.15Å; E831-K834 WeakPolarHBondContact O-CB 3.3Å; E831-K834 PolarHBondContact O-N 2.94Å; Q832-K834 VanDerWaalsContact C-N 3.31Å; Q832-K834 PolarHBondContact O-N 2.65Å; K834-A838 PolarHBondContact O-N 3.09Å
835	I	84.7	Confident	85	Confident	3 Å²	3	81.9 Å²	81.9	2%	0.015	42%	0.424	C	S	.	.	H	α-helix	trans	-69.3	-47.9	176.8	-64.2	163	0	0	0	110.2	L805 R808 K809 Y813 V815 E831 Q832 K833 G837 A838	L805-I835 HydrophobicContact CD2-CG1 3.76Å; R808-I835 HydrophobicContact CB-CD1 4.39Å; R808-I835 HydrophobicContact CB-CG1 4.28Å; R808-I835 HydrophobicContact CB-CG2 3.94Å; K809-I835 HydrophobicContact CB-CG2 4Å; K809-I835 WeakPolarHBondContact CB-O 3.36Å; K809-I835 WeakPolarHBondContact CD-O 3.28Å; Y813-I835 HydrophobicContact CD1-CD1 3.94Å; Y813-I835 HydrophobicContact CE1-CD1 4.42Å; V815-I835 HydrophobicContact CG2-CD1 3.5Å; E831-I835 PolarHBondContact O-N 2.79Å; Q832-I835 PolarHBondContact O-N 3.19Å; Q832-I835 VanDerWaalsContact O-N 3.15Å; K833-I835 VanDerWaalsContact C-N 3.35Å; I835-G837 VanDerWaalsContact C-N 3.26Å; I835-G837 PolarHBondContact O-N 3.36Å; I835-A838 VanDerWaalsContact O-CB 3.25Å; I835-A838 WeakPolarHBondContact O-CB 3.48Å; I835-A838 PolarHBondContact O-N 3.32Å
836	D	84.3	Confident	85.5	Confident	81 Å²	81	83 Å²	83	43%	0.433	43%	0.427	S	S	.	.	H	α-helix	trans	-63.2	-35.1	-176.9	-63	-15.3	0	0	0	111.3	K809 Q832 K833 A838	K809-D836 VanDerWaalsContact CE-O 3.24Å; K809-D836 WeakPolarHBondContact CE-O 3.33Å; K809-D836 PolarHBondContact NZ-O 2.93Å; Q832-D836 PolarHBondContact NE2-OD1 3.5Å; Q832-D836 WeakPolarHBondContact O-CB 3.48Å; Q832-D836 PolarHBondContact O-N 3.5Å; K833-D836 PolarHBondContact O-N 3.48Å; D836-A838 VanDerWaalsContact C-N 3.35Å
837	G	86.1	Confident	85.9	Confident	55 Å²	55	84 Å²	84	57%	0.567	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	3	175.3	0	0	0	0	0	115.8	K833 I835	K833-G837 PolarHBondContact O-N 2.92Å; I835-G837 VanDerWaalsContact C-N 3.26Å; I835-G837 PolarHBondContact O-N 3.36Å
838	A	86.5	Confident	86.6	Confident	10 Å²	10	85.8 Å²	85.8	8%	0.083	43%	0.433	C	S	.	.			trans	-73.3	138.3	-176.4	0	0	0	0	0	112.6	L805 K809 K834 I835 D836	L805-A838 VanDerWaalsContact C-CB 3.48Å; L805-A838 HydrophobicContact CB-CB 3.69Å; K809-A838 HydrophobicContact CD-CB 4.33Å; K809-A838 VanDerWaalsContact CD-O 3.24Å; K809-A838 WeakPolarHBondContact CD-O 3.36Å; K809-A838 PolarHBondContact NZ-O 3.3Å; K834-A838 PolarHBondContact O-N 3.09Å; I835-A838 VanDerWaalsContact O-CB 3.25Å; I835-A838 WeakPolarHBondContact O-CB 3.48Å; I835-A838 PolarHBondContact O-N 3.32Å; D836-A838 VanDerWaalsContact C-N 3.35Å
839	E	87.7	Confident	86.9	Confident	150 Å²	150	83.5 Å²	83.5	70%	0.701	42%	0.422	S	S	*	.			trans	-119.6	153.3	178.8	-70	-175.8	172.2	0	0	110.4
840	P	87.6	Confident	87.2	Confident	74 Å²	74	79.6 Å²	79.6	48%	0.481	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-66	150.2	175	28.6	-32.7	0	0	0	110.7	Y806	Y806-P840 HydrophobicContact CD1-CB 4.23Å; Y806-P840 HydrophobicContact CD2-CB 4.36Å; Y806-P840 HydrophobicContact CE1-CB 3.92Å; Y806-P840 HydrophobicContact CE2-CB 4.08Å; Y806-P840 HydrophobicContact CE2-CG 4.16Å; Y806-P840 HydrophobicContact CG-CB 4.44Å
841	L	85.1	Confident	87.4	Confident	30 Å²	30	79.3 Å²	79.3	16%	0.157	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-59.8	138	173.4	-68.7	172.6	0	0	0	110	L799 K802 E803 E845 K849	L799-L841 HydrophobicContact CB-CD2 4.41Å; L799-L841 HydrophobicContact CD2-CD2 3.91Å; K802-L841 HydrophobicContact CB-CD2 3.93Å; K802-L841 HydrophobicContact CD-CD2 3.95Å; E803-L841 HydrophobicContact CB-CD1 4.23Å; L841-E845 WeakPolarHBondContact CA-OE2 3.46Å; L841-E845 HydrophobicContact CB-CB 4.25Å; L841-E845 HydrophobicContact CD2-CB 4.05Å; L841-E845 WeakPolarHBondContact CD2-OE2 3.48Å; L841-K849 HydrophobicContact CD1-CD 4.33Å
842	T	89.6	Confident	87.8	Confident	63 Å²	63	74.8 Å²	74.8	39%	0.387	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-68	161.6	172.7	69.3	0	0	0	0	110.5	E844 E845 T846	T842-E844 PolarHBondContact O-N 2.92Å; T842-E845 PolarHBondContact N-OE2 2.95Å; T842-E845 VanDerWaalsContact N-OE2 3.13Å; T842-E845 PolarHBondContact O-N 3.07Å; T842-E845 WeakPolarHBondContact OG1-CG 3.36Å; T842-E845 PolarHBondContact OG1-N 2.75Å; T842-E845 VanDerWaalsContact OG1-N 3.14Å; T842-T846 PolarHBondContact O-N 2.98Å; T842-T846 PolarHBondContact O-OG1 2.8Å
843	P	87.2	Confident	88	Confident	115 Å²	115	75.1 Å²	75.1	75%	0.747	39%	0.39	S	S	*	.	H	α-helix	trans	-55.5	-38.7	174.1	-25.3	34.5	0	0	0	112.4	T846 E847	P843-T846 WeakPolarHBondContact O-CB 3.41Å; P843-T846 PolarHBondContact O-N 3.2Å; P843-E847 PolarHBondContact O-N 2.78Å
844	E	89.2	Confident	88	Confident	160 Å²	160	72.5 Å²	72.5	75%	0.748	39%	0.388	S	S	*	.	H	α-helix	trans	-64.8	-45.9	176.5	-62.7	178.6	176.6	0	0	112	T842 T846 E847 E848	T842-E844 PolarHBondContact O-N 2.92Å; E844-T846 PolarHBondContact O-N 3.45Å; E844-E847 PolarHBondContact O-N 2.98Å; E844-E848 WeakPolarHBondContact O-CB 3.48Å; E844-E848 PolarHBondContact O-N 3.5Å
845	E	90.7	Very high	88.1	Confident	27 Å²	27	72.4 Å²	72.4	13%	0.126	39%	0.39	C	S	.	.	H	α-helix	trans	-65.2	-30.6	176.2	-73.9	-179.3	144	0	0	112.1	L799 K802 L841 T842 K849	L799-E845 HydrophobicContact CD2-CB 4.03Å; L799-E845 HydrophobicContact CD2-CG 4.11Å; K802-E845 IonicContact NZ-OE1 3.46Å; K802-E845 PolarHBondContact NZ-OE1 3.08Å; K802-E845 IonicContact NZ-OE2 2.65Å; L841-E845 WeakPolarHBondContact CA-OE2 3.46Å; L841-E845 HydrophobicContact CB-CB 4.25Å; L841-E845 HydrophobicContact CD2-CB 4.05Å; L841-E845 WeakPolarHBondContact CD2-OE2 3.48Å; T842-E845 PolarHBondContact N-OE2 2.95Å; T842-E845 VanDerWaalsContact N-OE2 3.13Å; T842-E845 PolarHBondContact O-N 3.07Å; T842-E845 WeakPolarHBondContact OG1-CG 3.36Å; T842-E845 PolarHBondContact OG1-N 2.75Å; T842-E845 VanDerWaalsContact OG1-N 3.14Å; E845-K849 WeakPolarHBondContact O-CB 3.42Å; E845-K849 PolarHBondContact O-N 3.06Å
846	T	87.9	Confident	88.3	Confident	56 Å²	56	72.8 Å²	72.8	34%	0.344	39%	0.394	S	S	.	.	H	α-helix	trans	-69.4	-42.4	175.8	-53.3	0	0	0	0	110.8	T842 P843 E844 K849 E850	T842-T846 PolarHBondContact O-N 2.98Å; T842-T846 PolarHBondContact O-OG1 2.8Å; P843-T846 WeakPolarHBondContact O-CB 3.41Å; P843-T846 PolarHBondContact O-N 3.2Å; E844-T846 PolarHBondContact O-N 3.45Å; T846-K849 WeakPolarHBondContact O-CB 3.48Å; T846-K849 PolarHBondContact O-N 3.05Å; T846-E850 WeakPolarHBondContact O-CG 3.03Å; T846-E850 PolarHBondContact O-N 3.02Å; T846-E850 VanDerWaalsContact O-N 3.16Å
847	E	89.3	Confident	88.6	Confident	112 Å²	112	70.3 Å²	70.3	52%	0.523	38%	0.38	S	S	.	.	H	α-helix	trans	-66.2	-39.7	173.5	-164	-170.3	152.6	0	0	111.8	P843 E844 K849 E850 K851	P843-E847 PolarHBondContact O-N 2.78Å; E844-E847 PolarHBondContact O-N 2.98Å; E847-K849 VanDerWaalsContact C-N 3.34Å; E847-K849 PolarHBondContact O-N 2.75Å; E847-E850 PolarHBondContact O-N 2.96Å; E847-K851 WeakPolarHBondContact O-CG 3.49Å; E847-K851 PolarHBondContact O-N 3.13Å; E847-K851 VanDerWaalsContact OE1-CE 3.24Å; E847-K851 WeakPolarHBondContact OE1-CE 3.5Å; E847-K851 IonicContact OE1-NZ 2.98Å; E847-K851 PolarHBondContact OE1-NZ 3.34Å
848	E	91.9	Very high	88.6	Confident	66 Å²	66	71.7 Å²	71.7	31%	0.308	38%	0.377	S	S	.	.	H	α-helix	trans	-58.7	-45	173.4	-168.2	-170.6	171.1	0	0	110.8	R795 L799 E844 E850 K851 L852	R795-E848 VanDerWaalsContact CG-OE1 3.27Å; R795-E848 WeakPolarHBondContact CG-OE1 3.37Å; R795-E848 IonicContact NE-OE1 3.56Å; R795-E848 PolarHBondContact NE-OE1 3.08Å; R795-E848 VanDerWaalsContact NE-OE1 3.08Å; R795-E848 IonicContact NE-OE2 2.73Å; R795-E848 IonicContact NH2-OE2 3.48Å; R795-E848 PolarHBondContact NH2-OE2 3.34Å; L799-E848 HydrophobicContact CD1-CB 4.29Å; L799-E848 HydrophobicContact CD1-CG 4.27Å; E844-E848 WeakPolarHBondContact O-CB 3.48Å; E844-E848 PolarHBondContact O-N 3.5Å; E848-E850 PolarHBondContact O-N 2.79Å; E848-K851 PolarHBondContact O-N 3.32Å; E848-L852 HydrophobicContact CG-CD1 3.96Å; E848-L852 HydrophobicContact CG-CG 4.4Å; E848-L852 VanDerWaalsContact O-CG 3.26Å; E848-L852 WeakPolarHBondContact O-CG 3.5Å; E848-L852 PolarHBondContact O-N 2.84Å
849	K	89.2	Confident	88.7	Confident	18 Å²	18	74.6 Å²	74.6	8%	0.078	39%	0.391	C	S	.	.	H	α-helix	trans	-57.1	-49.1	176.3	-174.6	-177.8	75.2	176.9	0	111.8	L796 L799 L800 E803 L841 E845 T846 E847 K851 L852 L853	L796-K849 HydrophobicContact CD1-CG 3.93Å; L799-K849 HydrophobicContact CD1-CB 3.95Å; L800-K849 HydrophobicContact CD2-CD 4.3Å; E803-K849 IonicContact OE1-NZ 3.81Å; E803-K849 PolarHBondContact OE1-NZ 3.24Å; E803-K849 IonicContact OE2-NZ 3.66Å; E803-K849 PolarHBondContact OE2-NZ 2.71Å; L841-K849 HydrophobicContact CD1-CD 4.33Å; E845-K849 WeakPolarHBondContact O-CB 3.42Å; E845-K849 PolarHBondContact O-N 3.06Å; T846-K849 WeakPolarHBondContact O-CB 3.48Å; T846-K849 PolarHBondContact O-N 3.05Å; E847-K849 VanDerWaalsContact C-N 3.34Å; E847-K849 PolarHBondContact O-N 2.75Å; K849-K851 VanDerWaalsContact C-N 3.31Å; K849-K851 PolarHBondContact O-N 3.46Å; K849-L852 PolarHBondContact O-N 3.38Å; K849-L853 HydrophobicContact CG-CD1 4.37Å; K849-L853 WeakPolarHBondContact O-CG 3.28Å; K849-L853 PolarHBondContact O-N 3.38Å
850	E	88.8	Confident	88.9	Confident	109 Å²	109	67.6 Å²	67.6	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-37.1	179.2	-66.7	-59.8	139	0	0	111.7	T846 E847 E848	T846-E850 WeakPolarHBondContact O-CG 3.03Å; T846-E850 PolarHBondContact O-N 3.02Å; T846-E850 VanDerWaalsContact O-N 3.16Å; E847-E850 PolarHBondContact O-N 2.96Å; E848-E850 PolarHBondContact O-N 2.79Å
851	K	90.3	Very high	89.1	Confident	116 Å²	116	67.4 Å²	67.4	50%	0.504	36%	0.356	S	S	.	.	H	α-helix	trans	-68	-39	173.5	-73.4	176.7	-174.3	163.7	0	113	E847 E848 K849 L853 T854	E847-K851 WeakPolarHBondContact O-CG 3.49Å; E847-K851 PolarHBondContact O-N 3.13Å; E847-K851 VanDerWaalsContact OE1-CE 3.24Å; E847-K851 WeakPolarHBondContact OE1-CE 3.5Å; E847-K851 IonicContact OE1-NZ 2.98Å; E847-K851 PolarHBondContact OE1-NZ 3.34Å; E848-K851 PolarHBondContact O-N 3.32Å; K849-K851 VanDerWaalsContact C-N 3.31Å; K849-K851 PolarHBondContact O-N 3.46Å; K851-L853 VanDerWaalsContact C-N 3.31Å; K851-L853 PolarHBondContact O-N 3.22Å; K851-T854 PolarHBondContact O-N 3.49Å; K851-T854 PolarHBondContact O-OG1 3.08Å
852	L	90.1	Very high	89.2	Confident	14 Å²	14	71.9 Å²	71.9	7%	0.073	37%	0.374	C	S	.	.	H	α-helix	trans	-71.3	-27.8	179.6	-69.3	170	0	0	0	112.3	P793 R795 L796 L799 E848 K849 T854 Q855	P793-L852 HydrophobicContact CB-CD2 4Å; P793-L852 HydrophobicContact CG-CD2 3.9Å; R795-L852 HydrophobicContact CB-CD1 3.96Å; R795-L852 HydrophobicContact CG-CD1 3.68Å; L796-L852 HydrophobicContact CB-CB 4.11Å; L796-L852 HydrophobicContact CB-CD1 4.4Å; L796-L852 HydrophobicContact CD1-CB 4.07Å; L799-L852 HydrophobicContact CD1-CD1 3.96Å; E848-L852 HydrophobicContact CG-CD1 3.96Å; E848-L852 HydrophobicContact CG-CG 4.4Å; E848-L852 VanDerWaalsContact O-CG 3.26Å; E848-L852 WeakPolarHBondContact O-CG 3.5Å; E848-L852 PolarHBondContact O-N 2.84Å; K849-L852 PolarHBondContact O-N 3.38Å; L852-T854 PolarHBondContact O-N 3.19Å; L852-Q855 PolarHBondContact O-N 2.9Å
853	L	88.2	Confident	89.3	Confident	30 Å²	30	76.3 Å²	76.3	16%	0.157	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.7	174.5	-77.4	167.5	0	0	0	113.7	P784 V786 F792 L796 K849 K851 T858	P784-L853 HydrophobicContact CB-CD1 4.39Å; P784-L853 HydrophobicContact CB-CD2 3.81Å; P784-L853 HydrophobicContact CG-CD1 4.08Å; P784-L853 HydrophobicContact CG-CD2 3.77Å; V786-L853 HydrophobicContact CG1-CD2 4.17Å; F792-L853 WeakPolarHBondContact CE1-O 3.31Å; L796-L853 HydrophobicContact CD1-CD2 4.09Å; L796-L853 HydrophobicContact CD1-CG 3.93Å; L796-L853 HydrophobicContact CD2-CD2 3.79Å; L796-L853 HydrophobicContact CD2-CG 4.34Å; K849-L853 HydrophobicContact CG-CD1 4.37Å; K849-L853 WeakPolarHBondContact O-CG 3.28Å; K849-L853 PolarHBondContact O-N 3.38Å; K851-L853 VanDerWaalsContact C-N 3.31Å; K851-L853 PolarHBondContact O-N 3.22Å; L853-T858 VanDerWaalsContact O-CG2 3.3Å; L853-T858 WeakPolarHBondContact O-CG2 3.44Å
854	T	87.3	Confident	89.6	Confident	108 Å²	108	71.7 Å²	71.7	66%	0.663	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-12.1	176.8	65.2	0	0	0	0	113.5	K851 L852	K851-T854 PolarHBondContact O-N 3.49Å; K851-T854 PolarHBondContact O-OG1 3.08Å; L852-T854 PolarHBondContact O-N 3.19Å
855	Q	88.9	Confident	89.8	Confident	124 Å²	124	64.8 Å²	64.8	58%	0.579	32%	0.321	S	S	*	.	S	Bend	trans	-87.1	-8.8	-174.5	-65.9	-179.8	17.2	0	0	114.5	P793 L852	P793-Q855 HydrophobicContact CG-CB 4.06Å; L852-Q855 PolarHBondContact O-N 2.9Å
856	G	88.4	Confident	89.9	Confident	11 Å²	11	67.1 Å²	67.1	11%	0.113	33%	0.334	C	S	.	.	S	Bend	trans	-89.7	170.7	174.1	0	0	0	0	0	112.8	Q790 T858	Q790-G856 CarbonylContact O-C 3.58Å; Q790-G856 WeakPolarHBondContact O-CA 3.43Å; G856-T858 PolarHBondContact O-N 2.91Å
857	F	91.4	Very high	90.2	Very high	29 Å²	29	66.1 Å²	66.1	13%	0.127	33%	0.325	C	S	.	.			trans	-73.8	66.5	173	-67.5	-76.9	0	0	0	111.5	Q790 F791 N859 W860 E897 Y898 V901	Q790-F857 PolarHBondContact NE2-O 2.84Å; Q790-F857 PolarHBondContact O-N 2.97Å; F791-F857 HydrophobicContact CB-CD2 4.2Å; F791-F857 HydrophobicContact CB-CE2 4.38Å; F791-F857 AromaticContact CD2-CD2 3.98Å; F791-F857 HydrophobicContact CD2-CD2 3.98Å; F791-F857 HydrophobicContact CD2-CE2 4.11Å; F857-N859 PolarHBondContact O-N 3.47Å; F857-W860 HydrophobicContact CB-CB 4.03Å; F857-W860 HydrophobicContact CB-CG 4.02Å; F857-W860 AromaticContact CD1-CD1 3.85Å; F857-W860 AromaticContact CD1-NE1 3.97Å; F857-W860 WeakPolarHBondContact O-CB 3.45Å; F857-W860 PolarHBondContact O-N 2.81Å; F857-E897 HydrophobicContact CE1-CG 4.29Å; F857-E897 HydrophobicContact CZ-CG 4.47Å; F857-Y898 HydrophobicContact CB-CD2 4.25Å; F857-Y898 HydrophobicContact CB-CE2 4.3Å; F857-Y898 AromaticContact CD1-CD2 3.85Å; F857-Y898 HydrophobicContact CD1-CD2 3.85Å; F857-Y898 AromaticContact CD2-CD2 3.74Å; F857-Y898 HydrophobicContact CD2-CD2 3.74Å; F857-Y898 AromaticContact CD2-CE2 3.98Å; F857-Y898 HydrophobicContact CD2-CE2 3.98Å; F857-Y898 HydrophobicContact CE1-CD2 4.06Å; F857-Y898 AromaticContact CE2-CD2 3.94Å; F857-Y898 HydrophobicContact CE2-CD2 3.94Å; F857-Y898 HydrophobicContact CE2-CE2 4.45Å; F857-Y898 AromaticContact CG-CD2 3.68Å; F857-Y898 HydrophobicContact CG-CD2 3.68Å; F857-Y898 HydrophobicContact CG-CE2 4.09Å; F857-Y898 HydrophobicContact CZ-CD2 4.1Å; F857-V901 HydrophobicContact CE2-CB 3.79Å; F857-V901 HydrophobicContact CE2-CG1 3.79Å; F857-V901 HydrophobicContact CE2-CG2 4.05Å; F857-V901 HydrophobicContact CZ-CB 3.93Å; F857-V901 HydrophobicContact CZ-CG1 4.38Å; F857-V901 HydrophobicContact CZ-CG2 3.79Å
858	T	86.5	Confident	90.5	Very high	84 Å²	84	60.8 Å²	60.8	52%	0.515	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.3	-175.9	54	0	0	0	0	113.1	F792 L853 G856 W860	F792-T858 HydrophobicContact CE1-CG2 3.98Å; F792-T858 HydrophobicContact CZ-CG2 3.95Å; L853-T858 VanDerWaalsContact O-CG2 3.3Å; L853-T858 WeakPolarHBondContact O-CG2 3.44Å; G856-T858 PolarHBondContact O-N 2.91Å; T858-W860 VanDerWaalsContact C-N 3.31Å
859	N	87.7	Confident	90.5	Very high	71 Å²	71	58 Å²	58	38%	0.38	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.6	175.4	67	-24.5	0	0	0	113.2	F857 K890 E894	F857-N859 PolarHBondContact O-N 3.47Å; N859-K890 VanDerWaalsContact CG-NZ 3.32Å; N859-K890 PolarHBondContact ND2-NZ 3.35Å; N859-K890 PolarHBondContact O-NZ 2.9Å; N859-E894 PolarHBondContact ND2-OE1 3.09Å
860	W	91.9	Very high	90.7	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.008	31%	0.312	C	S	.	.			trans	-88.5	121.1	176.9	-80.1	72.2	0	0	0	111.1	Q790 F857 T858 D864 F868 V887 K890 V895 Y898	Q790-W860 PolarHBondContact NE2-O 2.84Å; F857-W860 HydrophobicContact CB-CB 4.03Å; F857-W860 HydrophobicContact CB-CG 4.02Å; F857-W860 AromaticContact CD1-CD1 3.85Å; F857-W860 AromaticContact CD1-NE1 3.97Å; F857-W860 WeakPolarHBondContact O-CB 3.45Å; F857-W860 PolarHBondContact O-N 2.81Å; T858-W860 VanDerWaalsContact C-N 3.31Å; W860-D864 HydrophobicContact CE3-CB 3.91Å; W860-D864 HydrophobicContact CZ3-CB 4.28Å; W860-F868 HydrophobicContact CH2-CB 4.42Å; W860-F868 HydrophobicContact CH2-CD2 4.35Å; W860-F868 HydrophobicContact CH2-CG 4.5Å; W860-F868 HydrophobicContact CZ3-CB 3.97Å; W860-F868 HydrophobicContact CZ3-CG 4.34Å; W860-V887 HydrophobicContact CH2-CG1 4.35Å; W860-K890 HydrophobicContact CZ2-CD 4.45Å; W860-K890 HydrophobicContact CZ2-CG 4.19Å; W860-V895 HydrophobicContact CH2-CG2 4.48Å; W860-Y898 HydrophobicContact CB-CE2 4.46Å; W860-Y898 AromaticContact CD1-CD2 3.99Å; W860-Y898 HydrophobicContact CD2-CD1 4.33Å; W860-Y898 AromaticContact CD2-CD2 3.5Å; W860-Y898 HydrophobicContact CD2-CD2 3.5Å; W860-Y898 HydrophobicContact CD2-CE1 4.5Å; W860-Y898 AromaticContact CD2-CE2 3.69Å; W860-Y898 HydrophobicContact CD2-CE2 3.69Å; W860-Y898 AromaticContact CD2-CG 3.84Å; W860-Y898 HydrophobicContact CD2-CG 3.84Å; W860-Y898 AromaticContact CE2-CD2 3.44Å; W860-Y898 VanDerWaalsContact CE2-CD2 3.44Å; W860-Y898 AromaticContact CE2-CG 3.45Å; W860-Y898 VanDerWaalsContact CE2-CG 3.45Å; W860-Y898 HydrophobicContact CE3-CD1 4.03Å; W860-Y898 AromaticContact CE3-CD2 3.92Å; W860-Y898 HydrophobicContact CE3-CD2 3.92Å; W860-Y898 AromaticContact CE3-CE1 3.93Å; W860-Y898 HydrophobicContact CE3-CE1 3.93Å; W860-Y898 AromaticContact CE3-CE2 3.8Å; W860-Y898 HydrophobicContact CE3-CE2 3.8Å; W860-Y898 HydrophobicContact CE3-CG 4.02Å; W860-Y898 AromaticContact CE3-CZ 3.81Å; W860-Y898 AromaticContact CG-CD2 3.9Å; W860-Y898 HydrophobicContact CG-CD2 3.9Å; W860-Y898 AromaticContact CG-CE2 3.98Å; W860-Y898 HydrophobicContact CG-CE2 3.98Å; W860-Y898 AromaticContact CH2-CD1 3.4Å; W860-Y898 HydrophobicContact CH2-CD1 3.4Å; W860-Y898 HydrophobicContact CH2-CD2 4.22Å; W860-Y898 HydrophobicContact CH2-CE1 4.02Å; W860-Y898 AromaticContact CH2-CG 3.52Å; W860-Y898 HydrophobicContact CH2-CG 3.52Å; W860-Y898 AromaticContact CZ2-CD1 3.74Å; W860-Y898 HydrophobicContact CZ2-CD1 3.74Å; W860-Y898 AromaticContact CZ2-CD2 3.85Å; W860-Y898 HydrophobicContact CZ2-CD2 3.85Å; W860-Y898 AromaticContact CZ2-CG 3.31Å; W860-Y898 HydrophobicContact CZ2-CG 3.31Å; W860-Y898 AromaticContact CZ3-CD1 3.55Å; W860-Y898 HydrophobicContact CZ3-CD1 3.55Å; W860-Y898 HydrophobicContact CZ3-CD2 4.25Å; W860-Y898 AromaticContact CZ3-CE1 3.66Å; W860-Y898 HydrophobicContact CZ3-CE1 3.66Å; W860-Y898 HydrophobicContact CZ3-CE2 4.32Å; W860-Y898 AromaticContact CZ3-CG 3.87Å; W860-Y898 HydrophobicContact CZ3-CG 3.87Å; W860-Y898 AromaticContact NE1-CD2 3.71Å
861	T	90.9	Very high	90.9	Very high	70 Å²	70	58.5 Å²	58.5	43%	0.429	29%	0.288	S	S	.	.			trans	-95.9	166.9	175.5	75.1	0	0	0	0	111.4	R863 D864 F865	T861-R863 PolarHBondContact O-N 2.84Å; T861-R863 PolarHBondContact OG1-N 2.81Å; T861-D864 WeakPolarHBondContact CA-OD2 3.4Å; T861-D864 WeakPolarHBondContact CB-OD2 3.46Å; T861-D864 PolarHBondContact N-OD2 2.87Å; T861-D864 PolarHBondContact O-N 3.49Å; T861-D864 VanDerWaalsContact O-N 3.14Å; T861-D864 PolarHBondContact OG1-N 3.41Å; T861-D864 PolarHBondContact OG1-OD1 3.18Å; T861-D864 PolarHBondContact OG1-OD2 3.49Å; T861-F865 PolarHBondContact O-N 3.13Å
862	K	88.9	Confident	91	Very high	125 Å²	125	53 Å²	53	54%	0.543	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-26.1	174.5	-171.1	165.7	-171.8	159.7	0	112.8	F789 N866	F789-K862 HydrophobicContact CE1-CB 4.09Å; F789-K862 HydrophobicContact CE1-CG 4.25Å; F789-K862 HydrophobicContact CZ-CB 3.89Å; K862-N866 PolarHBondContact O-N 2.79Å; K862-N866 PolarHBondContact O-ND2 3.27Å
863	R	90.6	Very high	91	Very high	155 Å²	155	54.3 Å²	54.3	59%	0.585	27%	0.27	S	S	*	.	H	α-helix	trans	-67.5	-48.1	175.1	178.1	-177.5	171.3	179.1	-4.7	110	T861 N866 Q867 E888	T861-R863 PolarHBondContact O-N 2.84Å; T861-R863 PolarHBondContact OG1-N 2.81Å; R863-N866 PolarHBondContact O-N 2.94Å; R863-Q867 PolarHBondContact O-N 3.12Å; R863-E888 IonicContact NH2-OE2 3.79Å; R863-E888 PolarHBondContact NH2-OE2 3.08Å
864	D	93	Very high	91.1	Very high	18 Å²	18	57.9 Å²	57.9	10%	0.096	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-44.8	-176.6	-43.7	-31.8	0	0	0	110.2	W860 T861 N866 Q867 F868	W860-D864 HydrophobicContact CE3-CB 3.91Å; W860-D864 HydrophobicContact CZ3-CB 4.28Å; T861-D864 WeakPolarHBondContact CA-OD2 3.4Å; T861-D864 WeakPolarHBondContact CB-OD2 3.46Å; T861-D864 PolarHBondContact N-OD2 2.87Å; T861-D864 PolarHBondContact O-N 3.49Å; T861-D864 VanDerWaalsContact O-N 3.14Å; T861-D864 PolarHBondContact OG1-N 3.41Å; T861-D864 PolarHBondContact OG1-OD1 3.18Å; T861-D864 PolarHBondContact OG1-OD2 3.49Å; D864-N866 PolarHBondContact O-N 3.46Å; D864-Q867 WeakPolarHBondContact O-CB 3.43Å; D864-Q867 PolarHBondContact O-N 3.24Å; D864-Q867 VanDerWaalsContact O-N 3.15Å; D864-F868 WeakPolarHBondContact O-CB 3.24Å; D864-F868 PolarHBondContact O-N 3.07Å
865	F	93.9	Very high	91.2	Very high	16 Å²	16	56.2 Å²	56.2	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-55.5	-47.7	172.7	178	-116.9	0	0	0	112.5	F789 T861 Q867 F868 I869 Y898 F902 L909 I915	F789-F865 HydrophobicContact CB-CD1 4.18Å; F789-F865 HydrophobicContact CB-CD2 3.7Å; F789-F865 HydrophobicContact CB-CE1 4.25Å; F789-F865 HydrophobicContact CB-CE2 3.76Å; F789-F865 HydrophobicContact CB-CG 3.88Å; F789-F865 HydrophobicContact CB-CZ 4.02Å; F789-F865 HydrophobicContact CD1-CB 4.46Å; F789-F865 AromaticContact CD1-CD1 3.99Å; F789-F865 HydrophobicContact CD1-CD1 3.99Å; F789-F865 HydrophobicContact CD1-CE1 4.43Å; F789-F865 HydrophobicContact CD1-CG 4.18Å; F789-F865 HydrophobicContact CD2-CB 3.96Å; F789-F865 HydrophobicContact CD2-CG 4.21Å; F789-F865 HydrophobicContact CE2-CB 4.3Å; F789-F865 HydrophobicContact CG-CB 4.07Å; F789-F865 HydrophobicContact CG-CD1 4.09Å; F789-F865 HydrophobicContact CG-CD2 4.14Å; F789-F865 AromaticContact CG-CG 3.84Å; F789-F865 HydrophobicContact CG-CG 3.84Å; T861-F865 PolarHBondContact O-N 3.13Å; F865-Q867 VanDerWaalsContact C-N 3.32Å; F865-Q867 PolarHBondContact O-N 3.41Å; F865-F868 WeakPolarHBondContact O-CB 3.45Å; F865-F868 PolarHBondContact O-N 2.73Å; F865-I869 HydrophobicContact CD2-CD1 4.48Å; F865-I869 HydrophobicContact CD2-CG1 4.29Å; F865-I869 HydrophobicContact CE1-CG1 4.21Å; F865-I869 HydrophobicContact CE2-CD1 3.84Å; F865-I869 HydrophobicContact CE2-CG1 3.93Å; F865-I869 HydrophobicContact CZ-CD1 4.05Å; F865-I869 HydrophobicContact CZ-CG1 3.9Å; F865-I869 WeakPolarHBondContact O-CG1 3.46Å; F865-I869 PolarHBondContact O-N 3.17Å; F865-Y898 HydrophobicContact CD2-CE1 4.47Å; F865-Y898 WeakPolarHBondContact CD2-OH 3.33Å; F865-F902 HydrophobicContact CE2-CD2 4.17Å; F865-F902 AromaticContact CE2-CE2 3.8Å; F865-F902 HydrophobicContact CE2-CE2 3.8Å; F865-F902 HydrophobicContact CZ-CE2 4.37Å; F865-L909 HydrophobicContact CE2-CD1 4.41Å; F865-L909 HydrophobicContact CZ-CD1 4.13Å; F865-I915 HydrophobicContact CE1-CD1 4.07Å; F865-I915 HydrophobicContact CZ-CD1 3.75Å
866	N	93.2	Very high	91.2	Very high	76 Å²	76	50.6 Å²	50.6	41%	0.406	24%	0.241	S	C	.	.	H	α-helix	trans	-66.7	-32.9	178.7	-76.1	-51.8	0	0	0	112.9	K862 R863 D864 K870	K862-N866 PolarHBondContact O-N 2.79Å; K862-N866 PolarHBondContact O-ND2 3.27Å; R863-N866 PolarHBondContact O-N 2.94Å; D864-N866 PolarHBondContact O-N 3.46Å; N866-K870 WeakPolarHBondContact O-CB 3.43Å; N866-K870 WeakPolarHBondContact O-CG 3.34Å; N866-K870 PolarHBondContact O-N 3.01Å; N866-K870 VanDerWaalsContact O-N 3.11Å
867	Q	93.6	Very high	91.1	Very high	35 Å²	35	53.6 Å²	53.6	16%	0.164	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-44.4	172.2	-77.2	176.8	-31.7	0	0	110.5	R863 D864 F865 I869 K870 A871 V887 E888	R863-Q867 PolarHBondContact O-N 3.12Å; D864-Q867 WeakPolarHBondContact O-CB 3.43Å; D864-Q867 PolarHBondContact O-N 3.24Å; D864-Q867 VanDerWaalsContact O-N 3.15Å; F865-Q867 VanDerWaalsContact C-N 3.32Å; F865-Q867 PolarHBondContact O-N 3.41Å; Q867-I869 PolarHBondContact O-N 3.1Å; Q867-K870 PolarHBondContact O-N 3.3Å; Q867-A871 VanDerWaalsContact O-CB 3.31Å; Q867-A871 WeakPolarHBondContact O-CB 3.39Å; Q867-A871 PolarHBondContact O-N 3.32Å; Q867-V887 HydrophobicContact CB-CG2 4.46Å; Q867-E888 PolarHBondContact NE2-OE2 3.48Å
868	F	95.1	Very high	90.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-47	175.7	176.9	-99.1	0	0	0	112.1	W860 D864 F865 K870 A871 N872 I883 V887 V895 Y898 F902	W860-F868 HydrophobicContact CH2-CB 4.42Å; W860-F868 HydrophobicContact CH2-CD2 4.35Å; W860-F868 HydrophobicContact CH2-CG 4.5Å; W860-F868 HydrophobicContact CZ3-CB 3.97Å; W860-F868 HydrophobicContact CZ3-CG 4.34Å; D864-F868 WeakPolarHBondContact O-CB 3.24Å; D864-F868 PolarHBondContact O-N 3.07Å; F865-F868 WeakPolarHBondContact O-CB 3.45Å; F865-F868 PolarHBondContact O-N 2.73Å; F868-K870 PolarHBondContact O-N 3.04Å; F868-A871 PolarHBondContact O-N 3.4Å; F868-N872 VanDerWaalsContact CE1-ND2 3.34Å; F868-N872 WeakPolarHBondContact CE1-ND2 3.37Å; F868-N872 WeakPolarHBondContact CE2-ND2 3.18Å; F868-N872 WeakPolarHBondContact CZ-ND2 3.45Å; F868-N872 PolarHBondContact O-N 3.11Å; F868-N872 PolarHBondContact O-ND2 3.48Å; F868-I883 HydrophobicContact CD2-CG2 3.75Å; F868-I883 HydrophobicContact CE2-CG2 3.91Å; F868-V887 HydrophobicContact CB-CG2 4.03Å; F868-V887 HydrophobicContact CD2-CG2 4.43Å; F868-V895 HydrophobicContact CD2-CG1 4.25Å; F868-V895 HydrophobicContact CE2-CG1 4.3Å; F868-Y898 HydrophobicContact CD1-CD1 4.3Å; F868-Y898 AromaticContact CD1-CE1 3.9Å; F868-Y898 HydrophobicContact CD1-CE1 3.9Å; F868-Y898 HydrophobicContact CD2-CD1 4.43Å; F868-Y898 HydrophobicContact CE1-CD1 4.26Å; F868-Y898 HydrophobicContact CE1-CE1 4.05Å; F868-Y898 HydrophobicContact CE2-CD1 4.38Å; F868-Y898 HydrophobicContact CG-CD1 4.39Å; F868-Y898 HydrophobicContact CG-CE1 4.29Å; F868-Y898 HydrophobicContact CZ-CD1 4.3Å; F868-F902 HydrophobicContact CE1-CB 4.26Å; F868-F902 AromaticContact CE1-CD1 3.67Å; F868-F902 HydrophobicContact CE1-CD1 3.67Å; F868-F902 HydrophobicContact CE1-CD2 4.16Å; F868-F902 HydrophobicContact CE1-CE1 4.02Å; F868-F902 HydrophobicContact CE1-CE2 4.47Å; F868-F902 AromaticContact CE1-CG 3.75Å; F868-F902 HydrophobicContact CE1-CG 3.75Å; F868-F902 HydrophobicContact CE1-CZ 4.41Å; F868-F902 HydrophobicContact CZ-CD1 4.18Å; F868-F902 HydrophobicContact CZ-CG 4.38Å
869	I	93.6	Very high	91	Very high	6 Å²	6	57.7 Å²	57.7	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-42.5	176.9	-62	-50.3	0	0	0	111.9	F865 Q867 N872 E873 F902 I915 I919	F865-I869 HydrophobicContact CD2-CD1 4.48Å; F865-I869 HydrophobicContact CD2-CG1 4.29Å; F865-I869 HydrophobicContact CE1-CG1 4.21Å; F865-I869 HydrophobicContact CE2-CD1 3.84Å; F865-I869 HydrophobicContact CE2-CG1 3.93Å; F865-I869 HydrophobicContact CZ-CD1 4.05Å; F865-I869 HydrophobicContact CZ-CG1 3.9Å; F865-I869 WeakPolarHBondContact O-CG1 3.46Å; F865-I869 PolarHBondContact O-N 3.17Å; Q867-I869 PolarHBondContact O-N 3.1Å; I869-N872 PolarHBondContact O-N 3.15Å; I869-E873 PolarHBondContact O-N 2.96Å; I869-F902 HydrophobicContact CD1-CE1 4.49Å; I869-F902 HydrophobicContact CD1-CE2 3.84Å; I869-F902 HydrophobicContact CD1-CZ 3.64Å; I869-I915 HydrophobicContact CD1-CG2 3.54Å; I869-I915 HydrophobicContact CG1-CG2 4.11Å; I869-I915 HydrophobicContact CG2-CG2 4.02Å; I869-I919 HydrophobicContact CD1-CD1 4.28Å; I869-I919 HydrophobicContact CG2-CG1 4.49Å
870	K	92.3	Very high	91.1	Very high	138 Å²	138	57.1 Å²	57.1	60%	0.6	27%	0.266	S	S	*	.	H	α-helix	trans	-65.3	-39	177.1	-78.3	-179.2	177.1	-175.4	0	112.6	N866 Q867 F868 E873 K874	N866-K870 WeakPolarHBondContact O-CB 3.43Å; N866-K870 WeakPolarHBondContact O-CG 3.34Å; N866-K870 PolarHBondContact O-N 3.01Å; N866-K870 VanDerWaalsContact O-N 3.11Å; Q867-K870 PolarHBondContact O-N 3.3Å; F868-K870 PolarHBondContact O-N 3.04Å; K870-E873 PolarHBondContact O-N 3.34Å; K870-K874 WeakPolarHBondContact O-CB 3.39Å; K870-K874 PolarHBondContact O-N 3.5Å
871	A	92.8	Very high	91	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.5	-41.8	177	0	0	0	0	0	111	Q867 F868 E873 K874 Y875 I883 E886	Q867-A871 VanDerWaalsContact O-CB 3.31Å; Q867-A871 WeakPolarHBondContact O-CB 3.39Å; Q867-A871 PolarHBondContact O-N 3.32Å; F868-A871 PolarHBondContact O-N 3.4Å; A871-E873 PolarHBondContact O-N 3.45Å; A871-K874 PolarHBondContact O-N 3.1Å; A871-K874 VanDerWaalsContact O-N 3.11Å; A871-Y875 WeakPolarHBondContact O-CD2 3.35Å; A871-Y875 PolarHBondContact O-N 3.33Å; A871-I883 HydrophobicContact CB-CB 4.26Å; A871-I883 HydrophobicContact CB-CG1 4.16Å; A871-I883 HydrophobicContact CB-CG2 3.97Å; A871-E886 HydrophobicContact CB-CB 4.19Å
872	N	92.8	Very high	91	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-40	171.8	-82.3	-86.4	0	0	0	112.6	F868 I869 K874 G876 I883 W903 I919	F868-N872 VanDerWaalsContact CE1-ND2 3.34Å; F868-N872 WeakPolarHBondContact CE1-ND2 3.37Å; F868-N872 WeakPolarHBondContact CE2-ND2 3.18Å; F868-N872 WeakPolarHBondContact CZ-ND2 3.45Å; F868-N872 PolarHBondContact O-N 3.11Å; F868-N872 PolarHBondContact O-ND2 3.48Å; I869-N872 PolarHBondContact O-N 3.15Å; N872-K874 VanDerWaalsContact C-N 3.26Å; N872-K874 PolarHBondContact O-N 3.37Å; N872-G876 WeakPolarHBondContact O-CA 3.33Å; N872-G876 PolarHBondContact O-N 2.69Å; N872-I883 WeakPolarHBondContact OD1-CD1 3.3Å; N872-W903 WeakPolarHBondContact OD1-CZ2 3.45Å; N872-I919 HydrophobicContact CB-CD1 3.97Å; N872-I919 HydrophobicContact CB-CG1 4.03Å; N872-I919 HydrophobicContact CB-CG2 4.25Å
873	E	90.4	Very high	91.1	Very high	43 Å²	43	55.8 Å²	55.8	20%	0.201	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-35.8	173.2	-179	-175.9	179	0	0	112	I869 K870 A871 Q918 G922 R925	I869-E873 PolarHBondContact O-N 2.96Å; K870-E873 PolarHBondContact O-N 3.34Å; A871-E873 PolarHBondContact O-N 3.45Å; E873-Q918 HydrophobicContact CB-CG 4.42Å; E873-Q918 HydrophobicContact CG-CG 4.29Å; E873-Q918 WeakPolarHBondContact OE2-CG 3.18Å; E873-Q918 PolarHBondContact OE2-NE2 3.4Å; E873-G922 WeakPolarHBondContact O-CA 3.26Å; E873-R925 IonicContact OE1-CZ 3.66Å; E873-R925 IonicContact OE1-NH1 3.81Å; E873-R925 PolarHBondContact OE1-NH1 3.24Å
874	K	89	Confident	91.1	Very high	105 Å²	105	48.9 Å²	48.9	46%	0.457	24%	0.238	S	C	.	.	H	α-helix	trans	-83.8	-39.7	-171.8	-170.1	-174.2	-179	-166.1	0	113.5	K870 A871 N872 E886 I926	K870-K874 WeakPolarHBondContact O-CB 3.39Å; K870-K874 PolarHBondContact O-N 3.5Å; A871-K874 PolarHBondContact O-N 3.1Å; A871-K874 VanDerWaalsContact O-N 3.11Å; N872-K874 VanDerWaalsContact C-N 3.26Å; N872-K874 PolarHBondContact O-N 3.37Å; K874-E886 VanDerWaalsContact CD-OE2 3.22Å; K874-E886 WeakPolarHBondContact CD-OE2 3.49Å; K874-E886 VanDerWaalsContact NZ-CD 3.3Å; K874-E886 IonicContact NZ-OE1 3.01Å; K874-E886 PolarHBondContact NZ-OE1 3.49Å; K874-E886 IonicContact NZ-OE2 3.27Å; K874-E886 PolarHBondContact NZ-OE2 3.38Å; K874-E886 VanDerWaalsContact NZ-OE2 3.08Å; K874-I926 WeakPolarHBondContact O-CD1 3.44Å
875	Y	90.2	Very high	91	Very high	72 Å²	72	57.5 Å²	57.5	28%	0.282	27%	0.269	S	S	.	.	H	α-helix	trans	-108.6	-15.4	-174.7	-58.3	-66.6	0	0	0	113.7	A871 N882 E886 I926	A871-Y875 WeakPolarHBondContact O-CD2 3.35Å; A871-Y875 PolarHBondContact O-N 3.33Å; Y875-N882 HydrophobicContact CD1-CB 3.71Å; Y875-N882 HydrophobicContact CD2-CB 3.76Å; Y875-N882 HydrophobicContact CE1-CB 3.89Å; Y875-N882 HydrophobicContact CE2-CB 3.9Å; Y875-N882 HydrophobicContact CG-CB 3.67Å; Y875-E886 HydrophobicContact CE2-CB 4.41Å; Y875-E886 WeakPolarHBondContact CE2-OE2 3.18Å; Y875-I926 VanDerWaalsContact C-CD1 3.41Å
876	G	88.3	Confident	90.7	Very high	6 Å²	6	60 Å²	60	6%	0.062	28%	0.281	C	S	.	.			trans	84.8	159.6	-172.8	0	0	0	0	0	112.1	N872 D878 D879 I883	N872-G876 WeakPolarHBondContact O-CA 3.33Å; N872-G876 PolarHBondContact O-N 2.69Å; G876-D878 PolarHBondContact O-N 3.07Å; G876-D879 PolarHBondContact O-N 3.19Å; G876-I883 WeakPolarHBondContact O-CD1 3.36Å
877	R	87.5	Confident	90.6	Very high	74 Å²	74	56.6 Å²	56.6	28%	0.279	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.2	-171.6	70.8	-172.6	72.7	-167.6	4.2	115.6	W903 E923	R877-W903 HydrophobicContact CB-CH2 3.98Å; R877-W903 HydrophobicContact CB-CZ2 3.41Å; R877-W903 VanDerWaalsContact CB-CZ2 3.41Å; R877-E923 VanDerWaalsContact CB-OE1 3.31Å; R877-E923 WeakPolarHBondContact CB-OE1 3.34Å; R877-E923 WeakPolarHBondContact CG-OE1 3.28Å; R877-E923 IonicContact CZ-OE1 2.83Å; R877-E923 IonicContact CZ-OE2 3.01Å; R877-E923 PolarHBondContact N-OE1 3.34Å; R877-E923 IonicContact NE-OE1 3.74Å; R877-E923 PolarHBondContact NE-OE1 2.83Å; R877-E923 IonicContact NE-OE2 3.94Å; R877-E923 PolarHBondContact NE-OE2 2.95Å; R877-E923 IonicContact NH2-OE1 3.15Å; R877-E923 IonicContact NH2-OE2 3.67Å; R877-E923 PolarHBondContact NH2-OE2 3.17Å
878	D	86.7	Confident	90.2	Very high	148 Å²	148	60.6 Å²	60.6	79%	0.791	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-14.2	-173.3	-58.1	-43.4	0	0	0	113.5	G876 I880	G876-D878 PolarHBondContact O-N 3.07Å; D878-I880 PolarHBondContact O-N 3.49Å
879	D	89.3	Confident	89.8	Confident	52 Å²	52	64.3 Å²	64.3	28%	0.278	32%	0.32	S	S	.	.			trans	-94.4	65.3	-175.4	-169	-10.1	0	0	0	111.6	G876 D881 N882 I883	G876-D879 PolarHBondContact O-N 3.19Å; D879-D881 PolarHBondContact O-N 3.47Å; D879-N882 VanDerWaalsContact CG-ND2 3.29Å; D879-N882 PolarHBondContact O-N 2.93Å; D879-N882 WeakPolarHBondContact OD1-CB 3.32Å; D879-N882 PolarHBondContact OD1-N 3.44Å; D879-N882 PolarHBondContact OD1-ND2 3.27Å; D879-N882 VanDerWaalsContact OD1-ND2 3.09Å; D879-N882 PolarHBondContact OD2-ND2 3.49Å; D879-I883 WeakPolarHBondContact O-CD1 3.11Å; D879-I883 VanDerWaalsContact O-CG1 3.27Å; D879-I883 WeakPolarHBondContact O-CG1 3.37Å; D879-I883 PolarHBondContact O-N 3.47Å; D879-I883 VanDerWaalsContact O-N 3.09Å
880	I	89.4	Confident	89.7	Confident	58 Å²	58	65.4 Å²	65.4	30%	0.297	33%	0.325	S	S	.	.	H	α-helix	trans	-59.9	-34.5	-175.1	-60.3	-178.9	0	0	0	111.6	D878 I883 A884 M896	D878-I880 PolarHBondContact O-N 3.49Å; I880-I883 PolarHBondContact O-N 3.43Å; I880-A884 WeakPolarHBondContact O-CB 3.49Å; I880-A884 PolarHBondContact O-N 3.31Å; I880-M896 HydrophobicContact CG2-CB 4.34Å
881	D	90.4	Very high	89.6	Confident	121 Å²	121	61 Å²	61	65%	0.647	31%	0.311	S	S	*	.	H	α-helix	trans	-62.9	-45.3	-178.7	-71.9	-35.4	0	0	0	112.4	D879 R885	D879-D881 PolarHBondContact O-N 3.47Å; D881-R885 WeakPolarHBondContact O-CG 3.24Å; D881-R885 PolarHBondContact O-N 3.12Å
882	N	90.5	Very high	89.4	Confident	48 Å²	48	65.1 Å²	65.1	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-75.9	-31.6	177.4	-72.1	-47.2	0	0	0	111.8	Y875 D879 R885 E886	Y875-N882 HydrophobicContact CD1-CB 3.71Å; Y875-N882 HydrophobicContact CD2-CB 3.76Å; Y875-N882 HydrophobicContact CE1-CB 3.89Å; Y875-N882 HydrophobicContact CE2-CB 3.9Å; Y875-N882 HydrophobicContact CG-CB 3.67Å; D879-N882 VanDerWaalsContact CG-ND2 3.29Å; D879-N882 PolarHBondContact O-N 2.93Å; D879-N882 WeakPolarHBondContact OD1-CB 3.32Å; D879-N882 PolarHBondContact OD1-N 3.44Å; D879-N882 PolarHBondContact OD1-ND2 3.27Å; D879-N882 VanDerWaalsContact OD1-ND2 3.09Å; D879-N882 PolarHBondContact OD2-ND2 3.49Å; N882-R885 PolarHBondContact O-N 3.13Å; N882-R885 PolarHBondContact OD1-NH1 3.44Å; N882-E886 PolarHBondContact O-N 2.99Å
883	I	90.6	Very high	89.4	Confident	1 Å²	1	72.3 Å²	72.3	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-60.2	-49.2	172.2	-67.7	164.8	0	0	0	110.4	F868 A871 N872 G876 D879 I880 R885 E886 V887 V895	F868-I883 HydrophobicContact CD2-CG2 3.75Å; F868-I883 HydrophobicContact CE2-CG2 3.91Å; A871-I883 HydrophobicContact CB-CB 4.26Å; A871-I883 HydrophobicContact CB-CG1 4.16Å; A871-I883 HydrophobicContact CB-CG2 3.97Å; N872-I883 WeakPolarHBondContact OD1-CD1 3.3Å; G876-I883 WeakPolarHBondContact O-CD1 3.36Å; D879-I883 WeakPolarHBondContact O-CD1 3.11Å; D879-I883 VanDerWaalsContact O-CG1 3.27Å; D879-I883 WeakPolarHBondContact O-CG1 3.37Å; D879-I883 PolarHBondContact O-N 3.47Å; D879-I883 VanDerWaalsContact O-N 3.09Å; I880-I883 PolarHBondContact O-N 3.43Å; I883-R885 VanDerWaalsContact C-N 3.26Å; I883-R885 PolarHBondContact O-N 3.3Å; I883-E886 PolarHBondContact O-N 3.11Å; I883-E886 VanDerWaalsContact O-N 3.09Å; I883-V887 HydrophobicContact CG2-CG2 4.38Å; I883-V887 WeakPolarHBondContact O-CG2 3.34Å; I883-V887 PolarHBondContact O-N 3.09Å; I883-V895 HydrophobicContact CG2-CG1 3.96Å
884	A	91	Very high	89.4	Confident	9 Å²	9	73.1 Å²	73.1	7%	0.074	38%	0.376	C	S	.	.	H	α-helix	trans	-60	-34.1	-179.9	0	0	0	0	0	113.1	I880 E886 P892 V895	I880-A884 WeakPolarHBondContact O-CB 3.49Å; I880-A884 PolarHBondContact O-N 3.31Å; A884-E886 VanDerWaalsContact C-N 3.34Å; A884-E886 PolarHBondContact O-N 3.19Å; A884-P892 HydrophobicContact CB-CB 4.06Å; A884-P892 HydrophobicContact CB-CG 4.46Å; A884-V895 HydrophobicContact CB-CB 4.16Å; A884-V895 HydrophobicContact CB-CG1 4.2Å; A884-V895 HydrophobicContact CB-CG2 4.41Å
885	R	90.3	Very high	89.6	Confident	199 Å²	199	68.1 Å²	68.1	75%	0.751	35%	0.354	S	S	*	.	H	α-helix	trans	-70.1	-26.8	176.8	-73.1	176.8	-175.5	156.4	2.2	114	D881 N882 I883	D881-R885 WeakPolarHBondContact O-CG 3.24Å; D881-R885 PolarHBondContact O-N 3.12Å; N882-R885 PolarHBondContact O-N 3.13Å; N882-R885 PolarHBondContact OD1-NH1 3.44Å; I883-R885 VanDerWaalsContact C-N 3.26Å; I883-R885 PolarHBondContact O-N 3.3Å
886	E	88.4	Confident	89.7	Confident	70 Å²	70	69.9 Å²	69.9	33%	0.327	37%	0.366	S	S	.	.	H	α-helix	trans	-94.1	-18.6	-177.2	-163.9	157.1	-153.1	0	0	112.9	A871 K874 Y875 N882 I883 A884 E888	A871-E886 HydrophobicContact CB-CB 4.19Å; K874-E886 VanDerWaalsContact CD-OE2 3.22Å; K874-E886 WeakPolarHBondContact CD-OE2 3.49Å; K874-E886 VanDerWaalsContact NZ-CD 3.3Å; K874-E886 IonicContact NZ-OE1 3.01Å; K874-E886 PolarHBondContact NZ-OE1 3.49Å; K874-E886 IonicContact NZ-OE2 3.27Å; K874-E886 PolarHBondContact NZ-OE2 3.38Å; K874-E886 VanDerWaalsContact NZ-OE2 3.08Å; Y875-E886 HydrophobicContact CE2-CB 4.41Å; Y875-E886 WeakPolarHBondContact CE2-OE2 3.18Å; N882-E886 PolarHBondContact O-N 2.99Å; I883-E886 PolarHBondContact O-N 3.11Å; I883-E886 VanDerWaalsContact O-N 3.09Å; A884-E886 VanDerWaalsContact C-N 3.34Å; A884-E886 PolarHBondContact O-N 3.19Å; E886-E888 PolarHBondContact O-N 2.75Å; E886-E888 VanDerWaalsContact O-N 3.11Å
887	V	90.7	Very high	89.9	Confident	3 Å²	3	75.3 Å²	75.3	2%	0.018	39%	0.39	C	S	.	.	S	Bend	trans	-81.6	85.8	171.6	-174.9	0	0	0	0	109.7	W860 Q867 F868 I883 G889 K890 V895	W860-V887 HydrophobicContact CH2-CG1 4.35Å; Q867-V887 HydrophobicContact CB-CG2 4.46Å; F868-V887 HydrophobicContact CB-CG2 4.03Å; F868-V887 HydrophobicContact CD2-CG2 4.43Å; I883-V887 HydrophobicContact CG2-CG2 4.38Å; I883-V887 WeakPolarHBondContact O-CG2 3.34Å; I883-V887 PolarHBondContact O-N 3.09Å; V887-G889 PolarHBondContact O-N 3.39Å; V887-K890 HydrophobicContact CG1-CB 4.05Å; V887-K890 HydrophobicContact CG1-CG 3.82Å; V887-K890 PolarHBondContact O-N 3.42Å; V887-V895 HydrophobicContact CB-CG2 4.09Å; V887-V895 HydrophobicContact CG1-CG2 4.25Å
888	E	85.3	Confident	90.2	Very high	119 Å²	119	71.8 Å²	71.8	56%	0.556	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	129.2	-179.8	-64.4	175.4	162.6	0	0	112.2	R863 Q867 E886	R863-E888 IonicContact NH2-OE2 3.79Å; R863-E888 PolarHBondContact NH2-OE2 3.08Å; Q867-E888 PolarHBondContact NE2-OE2 3.48Å; E886-E888 PolarHBondContact O-N 2.75Å; E886-E888 VanDerWaalsContact O-N 3.11Å
889	G	87.1	Confident	90.5	Very high	79 Å²	79	65 Å²	65	81%	0.814	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.6	5.1	175	0	0	0	0	0	115.2	V887	V887-G889 PolarHBondContact O-N 3.39Å
890	K	89.9	Confident	90.6	Very high	28 Å²	28	65.5 Å²	65.5	12%	0.122	35%	0.352	C	S	.	.	S	Bend	trans	-115.1	143.9	170.3	-62.8	-61.9	178.1	-170.3	0	111.4	N859 W860 V887 E894 V895	N859-K890 VanDerWaalsContact CG-NZ 3.32Å; N859-K890 PolarHBondContact ND2-NZ 3.35Å; N859-K890 PolarHBondContact O-NZ 2.9Å; W860-K890 HydrophobicContact CZ2-CD 4.45Å; W860-K890 HydrophobicContact CZ2-CG 4.19Å; V887-K890 HydrophobicContact CG1-CB 4.05Å; V887-K890 HydrophobicContact CG1-CG 3.82Å; V887-K890 PolarHBondContact O-N 3.42Å; K890-E894 VanDerWaalsContact CA-OE2 3.3Å; K890-E894 WeakPolarHBondContact CA-OE2 3.29Å; K890-E894 HydrophobicContact CB-CB 4.41Å; K890-E894 HydrophobicContact CD-CB 4.47Å; K890-E894 WeakPolarHBondContact CD-OE2 3.27Å; K890-V895 HydrophobicContact CB-CG2 3.61Å
891	S	90.8	Very high	90.8	Very high	45 Å²	45	64.3 Å²	64.3	32%	0.315	35%	0.347	S	S	.	.			trans	-72.6	155.3	171	82.6	0	0	0	0	110.2	E893 E894 V895	S891-E893 PolarHBondContact O-N 3.4Å; S891-E893 PolarHBondContact OG-N 3.31Å; S891-E894 PolarHBondContact N-OE2 3.16Å; S891-E894 PolarHBondContact O-N 2.84Å; S891-E894 VanDerWaalsContact O-N 3.16Å; S891-E894 WeakPolarHBondContact OG-CG 3.17Å; S891-E894 PolarHBondContact OG-N 2.93Å; S891-E894 VanDerWaalsContact OG-N 3.09Å; S891-V895 WeakPolarHBondContact O-CG2 3.48Å; S891-V895 PolarHBondContact O-N 3.46Å
892	P	89.9	Confident	91	Very high	88 Å²	88	58.5 Å²	58.5	57%	0.571	32%	0.316	S	S	*	.	H	α-helix	trans	-56.2	-33.7	174.1	-26	35	0	0	0	113.5	A884 V895 M896	A884-P892 HydrophobicContact CB-CB 4.06Å; A884-P892 HydrophobicContact CB-CG 4.46Å; P892-V895 PolarHBondContact O-N 3.23Å; P892-M896 WeakPolarHBondContact O-CB 3.45Å; P892-M896 PolarHBondContact O-N 2.86Å
893	E	91.2	Very high	91.1	Very high	150 Å²	150	59.3 Å²	59.3	70%	0.701	32%	0.316	S	S	*	.	H	α-helix	trans	-66.8	-45.9	176.3	-64	172.9	179.9	0	0	111.4	S891 V895 M896 E897	S891-E893 PolarHBondContact O-N 3.4Å; S891-E893 PolarHBondContact OG-N 3.31Å; E893-V895 VanDerWaalsContact C-N 3.31Å; E893-V895 PolarHBondContact O-N 2.75Å; E893-M896 PolarHBondContact O-N 2.77Å; E893-E897 PolarHBondContact O-N 3.27Å
894	E	92	Very high	91.2	Very high	60 Å²	60	66.5 Å²	66.5	28%	0.28	35%	0.349	S	S	.	.	H	α-helix	trans	-61.6	-39.2	176.4	-73.1	178.6	128.5	0	0	111.8	N859 K890 S891 Y898	N859-E894 PolarHBondContact ND2-OE1 3.09Å; K890-E894 VanDerWaalsContact CA-OE2 3.3Å; K890-E894 WeakPolarHBondContact CA-OE2 3.29Å; K890-E894 HydrophobicContact CB-CB 4.41Å; K890-E894 HydrophobicContact CD-CB 4.47Å; K890-E894 WeakPolarHBondContact CD-OE2 3.27Å; S891-E894 PolarHBondContact N-OE2 3.16Å; S891-E894 PolarHBondContact O-N 2.84Å; S891-E894 VanDerWaalsContact O-N 3.16Å; S891-E894 WeakPolarHBondContact OG-CG 3.17Å; S891-E894 PolarHBondContact OG-N 2.93Å; S891-E894 VanDerWaalsContact OG-N 3.09Å; E894-Y898 VanDerWaalsContact O-CB 3.29Å; E894-Y898 WeakPolarHBondContact O-CB 3.39Å; E894-Y898 PolarHBondContact O-N 2.87Å
895	V	92.4	Very high	91.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-68.7	-38.3	177.5	177	0	0	0	0	111	W860 F868 I883 A884 V887 K890 S891 P892 E893 S899	W860-V895 HydrophobicContact CH2-CG2 4.48Å; F868-V895 HydrophobicContact CD2-CG1 4.25Å; F868-V895 HydrophobicContact CE2-CG1 4.3Å; I883-V895 HydrophobicContact CG2-CG1 3.96Å; A884-V895 HydrophobicContact CB-CB 4.16Å; A884-V895 HydrophobicContact CB-CG1 4.2Å; A884-V895 HydrophobicContact CB-CG2 4.41Å; V887-V895 HydrophobicContact CB-CG2 4.09Å; V887-V895 HydrophobicContact CG1-CG2 4.25Å; K890-V895 HydrophobicContact CB-CG2 3.61Å; S891-V895 WeakPolarHBondContact O-CG2 3.48Å; S891-V895 PolarHBondContact O-N 3.46Å; P892-V895 PolarHBondContact O-N 3.23Å; E893-V895 VanDerWaalsContact C-N 3.31Å; E893-V895 PolarHBondContact O-N 2.75Å; V895-S899 WeakPolarHBondContact O-CB 3.43Å; V895-S899 PolarHBondContact O-N 2.88Å
896	M	92.1	Very high	91.1	Very high	109 Å²	109	60.1 Å²	60.1	54%	0.537	33%	0.326	S	S	.	.	H	α-helix	trans	-66.7	-45.6	177.4	-172.9	175.8	69.2	0	0	111.8	I880 P892 E893 S899 A900	I880-M896 HydrophobicContact CG2-CB 4.34Å; P892-M896 WeakPolarHBondContact O-CB 3.45Å; P892-M896 PolarHBondContact O-N 2.86Å; E893-M896 PolarHBondContact O-N 2.77Å; M896-S899 PolarHBondContact O-N 3.45Å; M896-A900 PolarHBondContact O-N 3.15Å
897	E	91.9	Very high	91.1	Very high	121 Å²	121	62.4 Å²	62.4	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-60.3	-48.4	175.5	-176.4	179.9	-167.5	0	0	111.2	F857 E893 S899 A900 V901	F857-E897 HydrophobicContact CE1-CG 4.29Å; F857-E897 HydrophobicContact CZ-CG 4.47Å; E893-E897 PolarHBondContact O-N 3.27Å; E897-S899 PolarHBondContact O-N 2.84Å; E897-A900 PolarHBondContact O-N 2.83Å; E897-V901 PolarHBondContact O-N 3.48Å
898	Y	94.4	Very high	90.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-40.8	177.1	-175.7	-90.6	0	0	0	112.3	F789 F791 F857 W860 F865 F868 E894 A900 V901 F902	F789-Y898 WeakPolarHBondContact O-CE2 3.34Å; F789-Y898 PolarHBondContact O-OH 3.35Å; F791-Y898 HydrophobicContact CD2-CE2 4.13Å; F791-Y898 HydrophobicContact CE2-CE2 4.03Å; F791-Y898 AromaticContact CE2-CZ 3.9Å; F857-Y898 HydrophobicContact CB-CD2 4.25Å; F857-Y898 HydrophobicContact CB-CE2 4.3Å; F857-Y898 AromaticContact CD1-CD2 3.85Å; F857-Y898 HydrophobicContact CD1-CD2 3.85Å; F857-Y898 AromaticContact CD2-CD2 3.74Å; F857-Y898 HydrophobicContact CD2-CD2 3.74Å; F857-Y898 AromaticContact CD2-CE2 3.98Å; F857-Y898 HydrophobicContact CD2-CE2 3.98Å; F857-Y898 HydrophobicContact CE1-CD2 4.06Å; F857-Y898 AromaticContact CE2-CD2 3.94Å; F857-Y898 HydrophobicContact CE2-CD2 3.94Å; F857-Y898 HydrophobicContact CE2-CE2 4.45Å; F857-Y898 AromaticContact CG-CD2 3.68Å; F857-Y898 HydrophobicContact CG-CD2 3.68Å; F857-Y898 HydrophobicContact CG-CE2 4.09Å; F857-Y898 HydrophobicContact CZ-CD2 4.1Å; W860-Y898 HydrophobicContact CB-CE2 4.46Å; W860-Y898 AromaticContact CD1-CD2 3.99Å; W860-Y898 HydrophobicContact CD2-CD1 4.33Å; W860-Y898 AromaticContact CD2-CD2 3.5Å; W860-Y898 HydrophobicContact CD2-CD2 3.5Å; W860-Y898 HydrophobicContact CD2-CE1 4.5Å; W860-Y898 AromaticContact CD2-CE2 3.69Å; W860-Y898 HydrophobicContact CD2-CE2 3.69Å; W860-Y898 AromaticContact CD2-CG 3.84Å; W860-Y898 HydrophobicContact CD2-CG 3.84Å; W860-Y898 AromaticContact CE2-CD2 3.44Å; W860-Y898 VanDerWaalsContact CE2-CD2 3.44Å; W860-Y898 AromaticContact CE2-CG 3.45Å; W860-Y898 VanDerWaalsContact CE2-CG 3.45Å; W860-Y898 HydrophobicContact CE3-CD1 4.03Å; W860-Y898 AromaticContact CE3-CD2 3.92Å; W860-Y898 HydrophobicContact CE3-CD2 3.92Å; W860-Y898 AromaticContact CE3-CE1 3.93Å; W860-Y898 HydrophobicContact CE3-CE1 3.93Å; W860-Y898 AromaticContact CE3-CE2 3.8Å; W860-Y898 HydrophobicContact CE3-CE2 3.8Å; W860-Y898 HydrophobicContact CE3-CG 4.02Å; W860-Y898 AromaticContact CE3-CZ 3.81Å; W860-Y898 AromaticContact CG-CD2 3.9Å; W860-Y898 HydrophobicContact CG-CD2 3.9Å; W860-Y898 AromaticContact CG-CE2 3.98Å; W860-Y898 HydrophobicContact CG-CE2 3.98Å; W860-Y898 AromaticContact CH2-CD1 3.4Å; W860-Y898 HydrophobicContact CH2-CD1 3.4Å; W860-Y898 HydrophobicContact CH2-CD2 4.22Å; W860-Y898 HydrophobicContact CH2-CE1 4.02Å; W860-Y898 AromaticContact CH2-CG 3.52Å; W860-Y898 HydrophobicContact CH2-CG 3.52Å; W860-Y898 AromaticContact CZ2-CD1 3.74Å; W860-Y898 HydrophobicContact CZ2-CD1 3.74Å; W860-Y898 AromaticContact CZ2-CD2 3.85Å; W860-Y898 HydrophobicContact CZ2-CD2 3.85Å; W860-Y898 AromaticContact CZ2-CG 3.31Å; W860-Y898 HydrophobicContact CZ2-CG 3.31Å; W860-Y898 AromaticContact CZ3-CD1 3.55Å; W860-Y898 HydrophobicContact CZ3-CD1 3.55Å; W860-Y898 HydrophobicContact CZ3-CD2 4.25Å; W860-Y898 AromaticContact CZ3-CE1 3.66Å; W860-Y898 HydrophobicContact CZ3-CE1 3.66Å; W860-Y898 HydrophobicContact CZ3-CE2 4.32Å; W860-Y898 AromaticContact CZ3-CG 3.87Å; W860-Y898 HydrophobicContact CZ3-CG 3.87Å; W860-Y898 AromaticContact NE1-CD2 3.71Å; F865-Y898 HydrophobicContact CD2-CE1 4.47Å; F865-Y898 WeakPolarHBondContact CD2-OH 3.33Å; F868-Y898 HydrophobicContact CD1-CD1 4.3Å; F868-Y898 AromaticContact CD1-CE1 3.9Å; F868-Y898 HydrophobicContact CD1-CE1 3.9Å; F868-Y898 HydrophobicContact CD2-CD1 4.43Å; F868-Y898 HydrophobicContact CE1-CD1 4.26Å; F868-Y898 HydrophobicContact CE1-CE1 4.05Å; F868-Y898 HydrophobicContact CE2-CD1 4.38Å; F868-Y898 HydrophobicContact CG-CD1 4.39Å; F868-Y898 HydrophobicContact CG-CE1 4.29Å; F868-Y898 HydrophobicContact CZ-CD1 4.3Å; E894-Y898 VanDerWaalsContact O-CB 3.29Å; E894-Y898 WeakPolarHBondContact O-CB 3.39Å; E894-Y898 PolarHBondContact O-N 2.87Å; Y898-A900 VanDerWaalsContact C-N 3.34Å; Y898-A900 PolarHBondContact O-N 3.45Å; Y898-V901 PolarHBondContact O-N 3.27Å; Y898-F902 HydrophobicContact CD1-CB 4.28Å; Y898-F902 HydrophobicContact CE1-CB 4.06Å; Y898-F902 HydrophobicContact CE1-CD2 4.31Å; Y898-F902 HydrophobicContact CE1-CG 4.44Å; Y898-F902 WeakPolarHBondContact O-CB 3.3Å; Y898-F902 PolarHBondContact O-N 3.26Å
899	S	92.3	Very high	91	Very high	5 Å²	5	60.9 Å²	60.9	4%	0.035	33%	0.334	C	S	.	.	H	α-helix	trans	-60	-44.4	177.8	-172.1	0	0	0	0	111.2	V895 M896 E897 F902 W903	V895-S899 WeakPolarHBondContact O-CB 3.43Å; V895-S899 PolarHBondContact O-N 2.88Å; M896-S899 PolarHBondContact O-N 3.45Å; E897-S899 PolarHBondContact O-N 2.84Å; S899-F902 PolarHBondContact O-N 3.33Å; S899-W903 PolarHBondContact O-N 2.7Å; S899-W903 PolarHBondContact OG-NE1 2.76Å
900	A	93	Very high	90.8	Very high	62 Å²	62	65.4 Å²	65.4	51%	0.512	33%	0.334	S	S	.	.	H	α-helix	trans	-59.1	-50.2	177.6	0	0	0	0	0	111.8	M896 E897 Y898 W903 E904	M896-A900 PolarHBondContact O-N 3.15Å; E897-A900 PolarHBondContact O-N 2.83Å; Y898-A900 VanDerWaalsContact C-N 3.34Å; Y898-A900 PolarHBondContact O-N 3.45Å; A900-W903 PolarHBondContact O-N 2.67Å; A900-E904 PolarHBondContact O-N 3.23Å; A900-E904 VanDerWaalsContact O-N 3.11Å
901	V	92.5	Very high	90.5	Very high	33 Å²	33	69 Å²	69	20%	0.2	35%	0.354	C	S	.	.	H	α-helix	trans	-68	-39.2	179.3	-178	0	0	0	0	111.7	F791 F857 E897 Y898 W903 E904 R905	F791-V901 HydrophobicContact CB-CG1 4.2Å; F791-V901 HydrophobicContact CD2-CG1 4.24Å; F791-V901 HydrophobicContact CG-CG1 4.15Å; F857-V901 HydrophobicContact CE2-CB 3.79Å; F857-V901 HydrophobicContact CE2-CG1 3.79Å; F857-V901 HydrophobicContact CE2-CG2 4.05Å; F857-V901 HydrophobicContact CZ-CB 3.93Å; F857-V901 HydrophobicContact CZ-CG1 4.38Å; F857-V901 HydrophobicContact CZ-CG2 3.79Å; E897-V901 PolarHBondContact O-N 3.48Å; Y898-V901 PolarHBondContact O-N 3.27Å; V901-W903 PolarHBondContact O-N 3.39Å; V901-E904 PolarHBondContact O-N 3.49Å; V901-R905 HydrophobicContact CG1-CG 4.47Å; V901-R905 WeakPolarHBondContact O-CB 3.38Å; V901-R905 PolarHBondContact O-N 3.12Å
902	F	94.1	Very high	90.5	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-56.9	-50.1	176.2	172.2	-92.7	0	0	0	110.4	F791 F865 F868 I869 Y898 S899 E904 R905 C906 L909 I915	F791-F902 HydrophobicContact CE2-CB 4.16Å; F791-F902 HydrophobicContact CE2-CD2 4.19Å; F791-F902 HydrophobicContact CZ-CB 4.28Å; F791-F902 AromaticContact CZ-CD2 3.88Å; F791-F902 HydrophobicContact CZ-CD2 3.88Å; F791-F902 HydrophobicContact CZ-CG 4.49Å; F865-F902 HydrophobicContact CE2-CD2 4.17Å; F865-F902 AromaticContact CE2-CE2 3.8Å; F865-F902 HydrophobicContact CE2-CE2 3.8Å; F865-F902 HydrophobicContact CZ-CE2 4.37Å; F868-F902 HydrophobicContact CE1-CB 4.26Å; F868-F902 AromaticContact CE1-CD1 3.67Å; F868-F902 HydrophobicContact CE1-CD1 3.67Å; F868-F902 HydrophobicContact CE1-CD2 4.16Å; F868-F902 HydrophobicContact CE1-CE1 4.02Å; F868-F902 HydrophobicContact CE1-CE2 4.47Å; F868-F902 AromaticContact CE1-CG 3.75Å; F868-F902 HydrophobicContact CE1-CG 3.75Å; F868-F902 HydrophobicContact CE1-CZ 4.41Å; F868-F902 HydrophobicContact CZ-CD1 4.18Å; F868-F902 HydrophobicContact CZ-CG 4.38Å; I869-F902 HydrophobicContact CD1-CE1 4.49Å; I869-F902 HydrophobicContact CD1-CE2 3.84Å; I869-F902 HydrophobicContact CD1-CZ 3.64Å; Y898-F902 HydrophobicContact CD1-CB 4.28Å; Y898-F902 HydrophobicContact CE1-CB 4.06Å; Y898-F902 HydrophobicContact CE1-CD2 4.31Å; Y898-F902 HydrophobicContact CE1-CG 4.44Å; Y898-F902 WeakPolarHBondContact O-CB 3.3Å; Y898-F902 PolarHBondContact O-N 3.26Å; S899-F902 PolarHBondContact O-N 3.33Å; F902-E904 VanDerWaalsContact C-N 3.34Å; F902-E904 PolarHBondContact O-N 3.5Å; F902-R905 PolarHBondContact O-N 3.01Å; F902-C906 HydrophobicContact CE1-CB 4.46Å; F902-C906 HydrophobicContact CE2-CB 4.49Å; F902-C906 HydrophobicContact CZ-CB 4.36Å; F902-C906 WeakPolarHBondContact O-CA 3.49Å; F902-C906 WeakPolarHBondContact O-CB 3.25Å; F902-C906 PolarHBondContact O-N 2.86Å; F902-L909 HydrophobicContact CD2-CD1 4.17Å; F902-L909 HydrophobicContact CE2-CD1 3.57Å; F902-L909 HydrophobicContact CZ-CD1 4.47Å; F902-I915 HydrophobicContact CZ-CG2 4.29Å
903	W	93	Very high	90.3	Very high	64 Å²	64	72.2 Å²	72.2	24%	0.242	36%	0.357	C	S	.	.	H	α-helix	trans	-69.3	-31.6	-178.7	-69.4	119.6	0	0	0	113.3	N872 R877 S899 A900 V901 M916 I919	N872-W903 WeakPolarHBondContact OD1-CZ2 3.45Å; R877-W903 HydrophobicContact CB-CH2 3.98Å; R877-W903 HydrophobicContact CB-CZ2 3.41Å; R877-W903 VanDerWaalsContact CB-CZ2 3.41Å; S899-W903 PolarHBondContact O-N 2.7Å; S899-W903 PolarHBondContact OG-NE1 2.76Å; A900-W903 PolarHBondContact O-N 2.67Å; V901-W903 PolarHBondContact O-N 3.39Å; W903-M916 HydrophobicContact CZ3-CE 4.16Å; W903-M916 HydrophobicContact CZ3-SD 3.82Å; W903-I919 HydrophobicContact CH2-CD1 3.77Å; W903-I919 HydrophobicContact CH2-CG2 4.22Å; W903-I919 HydrophobicContact CZ2-CD1 4.38Å
904	E	92.1	Very high	90.1	Very high	152 Å²	152	72.2 Å²	72.2	71%	0.71	36%	0.355	S	S	*	.	H	α-helix	trans	-70.2	-38.8	175	-172.3	178.7	-175.7	0	0	112.7	A900 V901 F902	A900-E904 PolarHBondContact O-N 3.23Å; A900-E904 VanDerWaalsContact O-N 3.11Å; V901-E904 PolarHBondContact O-N 3.49Å; F902-E904 VanDerWaalsContact C-N 3.34Å; F902-E904 PolarHBondContact O-N 3.5Å
905	R	91.7	Very high	90	Very high	54 Å²	54	70.2 Å²	70.2	20%	0.204	35%	0.346	C	S	.	.	H	α-helix	trans	-117.1	11.1	-169.7	-64	176.3	62.7	-164	-8.5	114.6	F791 F792 V901 F902 N907 E908	F791-R905 HydrophobicContact CD1-CB 3.77Å; F791-R905 HydrophobicContact CE1-CB 3.83Å; F791-R905 WeakPolarHBondContact CE1-O 3.38Å; F791-R905 PolarHBondContact O-NH1 3.03Å; F791-R905 PolarHBondContact O-NH2 3.35Å; F791-R905 VanDerWaalsContact O-NH2 3.14Å; F792-R905 PolarHBondContact O-NH2 3.37Å; F792-R905 VanDerWaalsContact O-NH2 3.08Å; V901-R905 HydrophobicContact CG1-CG 4.47Å; V901-R905 WeakPolarHBondContact O-CB 3.38Å; V901-R905 PolarHBondContact O-N 3.12Å; F902-R905 PolarHBondContact O-N 3.01Å; R905-N907 VanDerWaalsContact C-OD1 3.23Å; R905-N907 WeakPolarHBondContact CA-OD1 3.46Å; R905-N907 PolarHBondContact O-N 3.04Å; R905-N907 PolarHBondContact O-OD1 3.45Å; R905-E908 HydrophobicContact CB-CG 4.48Å; R905-E908 IonicContact CZ-OE1 2.92Å; R905-E908 IonicContact CZ-OE2 3.46Å; R905-E908 IonicContact NE-OE1 3.57Å; R905-E908 PolarHBondContact NE-OE1 3.05Å; R905-E908 IonicContact NE-OE2 2.7Å; R905-E908 PolarHBondContact NE-OE2 3.24Å; R905-E908 IonicContact NH2-OE1 3.82Å; R905-E908 PolarHBondContact NH2-OE1 3.21Å; R905-E908 IonicContact NH2-OE2 2.89Å; R905-E908 PolarHBondContact NH2-OE2 2.9Å; R905-E908 WeakPolarHBondContact O-CB 3.22Å; R905-E908 WeakPolarHBondContact O-CG 3.39Å; R905-E908 PolarHBondContact O-N 2.88Å
906	C	88.9	Confident	89.9	Confident	21 Å²	21	71.9 Å²	71.9	14%	0.142	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-56.9	-27	-175.3	56.7	0	0	0	0	113.8	F902 E908 L909 I912	F902-C906 HydrophobicContact CE1-CB 4.46Å; F902-C906 HydrophobicContact CE2-CB 4.49Å; F902-C906 HydrophobicContact CZ-CB 4.36Å; F902-C906 WeakPolarHBondContact O-CA 3.49Å; F902-C906 WeakPolarHBondContact O-CB 3.25Å; F902-C906 PolarHBondContact O-N 2.86Å; C906-E908 PolarHBondContact O-N 3.23Å; C906-L909 WeakPolarHBondContact O-CB 3.39Å; C906-L909 WeakPolarHBondContact O-CG 3.5Å; C906-L909 PolarHBondContact O-N 3.48Å; C906-L909 VanDerWaalsContact O-N 3.15Å; C906-I912 HydrophobicContact CB-CD1 3.63Å; C906-I912 HydrophobicContact CB-CG1 4.46Å; C906-I912 VanDerWaalsContact O-CD1 3.32Å; C906-I912 WeakPolarHBondContact O-CD1 3.5Å; C906-I912 VanDerWaalsContact O-CG1 3.29Å; C906-I912 WeakPolarHBondContact O-CG1 3.03Å
907	N	88.1	Confident	89.8	Confident	118 Å²	118	68.6 Å²	68.6	63%	0.631	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-62.9	-15.2	175	58.8	-48.8	0	0	0	114.3	R905 L909	R905-N907 VanDerWaalsContact C-OD1 3.23Å; R905-N907 WeakPolarHBondContact CA-OD1 3.46Å; R905-N907 PolarHBondContact O-N 3.04Å; R905-N907 PolarHBondContact O-OD1 3.45Å; N907-L909 VanDerWaalsContact C-N 3.31Å
908	E	87	Confident	89.7	Confident	84 Å²	84	65.3 Å²	65.3	39%	0.393	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-78.4	-14.1	174.9	-62.1	177	-161	0	0	113.1	R905 C906	R905-E908 HydrophobicContact CB-CG 4.48Å; R905-E908 IonicContact CZ-OE1 2.92Å; R905-E908 IonicContact CZ-OE2 3.46Å; R905-E908 IonicContact NE-OE1 3.57Å; R905-E908 PolarHBondContact NE-OE1 3.05Å; R905-E908 IonicContact NE-OE2 2.7Å; R905-E908 PolarHBondContact NE-OE2 3.24Å; R905-E908 IonicContact NH2-OE1 3.82Å; R905-E908 PolarHBondContact NH2-OE1 3.21Å; R905-E908 IonicContact NH2-OE2 2.89Å; R905-E908 PolarHBondContact NH2-OE2 2.9Å; R905-E908 WeakPolarHBondContact O-CB 3.22Å; R905-E908 WeakPolarHBondContact O-CG 3.39Å; R905-E908 PolarHBondContact O-N 2.88Å; C906-E908 PolarHBondContact O-N 3.23Å
909	L	87	Confident	89.5	Confident	6 Å²	6	65.3 Å²	65.3	3%	0.031	33%	0.329	C	S	.	.	S	Bend	trans	-78.6	137.3	-177	-59.9	170.8	0	0	0	112	D788 F789 F791 F865 F902 C906 N907 D911 I912 I915	D788-L909 HydrophobicContact CB-CD2 3.99Å; F789-L909 HydrophobicContact CB-CD2 3.92Å; F791-L909 HydrophobicContact CE1-CD2 4.28Å; F791-L909 HydrophobicContact CE1-CG 4.37Å; F791-L909 HydrophobicContact CZ-CD1 4.34Å; F791-L909 HydrophobicContact CZ-CD2 4.24Å; F791-L909 HydrophobicContact CZ-CG 4.38Å; F865-L909 HydrophobicContact CE2-CD1 4.41Å; F865-L909 HydrophobicContact CZ-CD1 4.13Å; F902-L909 HydrophobicContact CD2-CD1 4.17Å; F902-L909 HydrophobicContact CE2-CD1 3.57Å; F902-L909 HydrophobicContact CZ-CD1 4.47Å; C906-L909 WeakPolarHBondContact O-CB 3.39Å; C906-L909 WeakPolarHBondContact O-CG 3.5Å; C906-L909 PolarHBondContact O-N 3.48Å; C906-L909 VanDerWaalsContact O-N 3.15Å; N907-L909 VanDerWaalsContact C-N 3.31Å; L909-D911 VanDerWaalsContact C-N 3.31Å; L909-D911 PolarHBondContact O-N 3.24Å; L909-I912 HydrophobicContact CB-CB 4.19Å; L909-I912 HydrophobicContact CD1-CD1 4.43Å; L909-I912 WeakPolarHBondContact O-CG2 3.38Å; L909-I912 PolarHBondContact O-N 2.95Å; L909-I915 HydrophobicContact CD1-CD1 4.45Å
910	Q	83.5	Confident	89.5	Confident	174 Å²	174	69.9 Å²	69.9	81%	0.813	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-34.1	-177.9	-67.1	-178	2.3	0	0	113.3	D788	D788-Q910 PolarHBondContact OD2-N 2.99Å
911	D	83.4	Confident	89.3	Confident	104 Å²	104	73.4 Å²	73.4	56%	0.556	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	22.1	-176.2	-75.8	-40.5	0	0	0	112.7	L909 E913 K914 I915	L909-D911 VanDerWaalsContact C-N 3.31Å; L909-D911 PolarHBondContact O-N 3.24Å; D911-E913 PolarHBondContact O-N 2.91Å; D911-K914 WeakPolarHBondContact O-CB 3.43Å; D911-K914 PolarHBondContact O-N 3.4Å; D911-K914 VanDerWaalsContact O-N 3.16Å; D911-I915 HydrophobicContact CB-CD1 4.36Å; D911-I915 WeakPolarHBondContact O-CG1 3.46Å; D911-I915 PolarHBondContact O-N 3.24Å; D911-I915 VanDerWaalsContact O-N 3.11Å
912	I	89.3	Confident	89	Confident	31 Å²	31	71.9 Å²	71.9	16%	0.159	34%	0.341	C	S	.	.	H	α-helix	trans	-57.1	-44.4	-171	-175.4	55	0	0	0	113.7	C906 L909 K914 I915 M916	C906-I912 HydrophobicContact CB-CD1 3.63Å; C906-I912 HydrophobicContact CB-CG1 4.46Å; C906-I912 VanDerWaalsContact O-CD1 3.32Å; C906-I912 WeakPolarHBondContact O-CD1 3.5Å; C906-I912 VanDerWaalsContact O-CG1 3.29Å; C906-I912 WeakPolarHBondContact O-CG1 3.03Å; L909-I912 HydrophobicContact CB-CB 4.19Å; L909-I912 HydrophobicContact CD1-CD1 4.43Å; L909-I912 WeakPolarHBondContact O-CG2 3.38Å; L909-I912 PolarHBondContact O-N 2.95Å; I912-K914 PolarHBondContact O-N 3.3Å; I912-I915 PolarHBondContact O-N 3.01Å; I912-I915 VanDerWaalsContact O-N 3.08Å; I912-M916 HydrophobicContact CD1-CG 3.58Å; I912-M916 HydrophobicContact CD1-SD 4.1Å; I912-M916 HydrophobicContact CG1-CG 3.92Å; I912-M916 WeakPolarHBondContact O-CB 3.3Å; I912-M916 WeakPolarHBondContact O-CG 3.32Å; I912-M916 PolarHBondContact O-N 3.32Å
913	E	85.8	Confident	88.8	Confident	169 Å²	169	74 Å²	74	79%	0.79	35%	0.35	S	S	*	.	H	α-helix	trans	-57	-39.7	-178.7	-65.5	-174.9	168.6	0	0	111.7	D911 A917	D911-E913 PolarHBondContact O-N 2.91Å; E913-A917 VanDerWaalsContact O-CB 3.27Å; E913-A917 WeakPolarHBondContact O-CB 3.37Å; E913-A917 PolarHBondContact O-N 3.45Å
914	K	88.2	Confident	88.6	Confident	149 Å²	149	73.8 Å²	73.8	65%	0.648	36%	0.363	S	S	*	.	H	α-helix	trans	-71.8	-40.5	179.3	-176.1	-177.1	175.4	-172.5	0	111.6	D911 I912 Q918	D911-K914 WeakPolarHBondContact O-CB 3.43Å; D911-K914 PolarHBondContact O-N 3.4Å; D911-K914 VanDerWaalsContact O-N 3.16Å; I912-K914 PolarHBondContact O-N 3.3Å; K914-Q918 PolarHBondContact O-N 2.93Å; K914-Q918 VanDerWaalsContact O-N 3.09Å
915	I	89.2	Confident	88.2	Confident	18 Å²	18	72.5 Å²	72.5	9%	0.092	35%	0.352	C	S	.	.	H	α-helix	trans	-66.1	-47.1	178.8	-67	170.8	0	0	0	110	F865 I869 F902 L909 D911 I912 A917 Q918 I919	F865-I915 HydrophobicContact CE1-CD1 4.07Å; F865-I915 HydrophobicContact CZ-CD1 3.75Å; I869-I915 HydrophobicContact CD1-CG2 3.54Å; I869-I915 HydrophobicContact CG1-CG2 4.11Å; I869-I915 HydrophobicContact CG2-CG2 4.02Å; F902-I915 HydrophobicContact CZ-CG2 4.29Å; L909-I915 HydrophobicContact CD1-CD1 4.45Å; D911-I915 HydrophobicContact CB-CD1 4.36Å; D911-I915 WeakPolarHBondContact O-CG1 3.46Å; D911-I915 PolarHBondContact O-N 3.24Å; D911-I915 VanDerWaalsContact O-N 3.11Å; I912-I915 PolarHBondContact O-N 3.01Å; I912-I915 VanDerWaalsContact O-N 3.08Å; I915-A917 PolarHBondContact O-N 3.02Å; I915-Q918 WeakPolarHBondContact O-CB 3.26Å; I915-Q918 PolarHBondContact O-N 3.03Å; I915-Q918 VanDerWaalsContact O-N 3.08Å; I915-I919 HydrophobicContact CG2-CD1 4.03Å; I915-I919 WeakPolarHBondContact O-CG1 3.32Å; I915-I919 PolarHBondContact O-N 2.97Å
916	M	90.2	Very high	88	Confident	35 Å²	35	72 Å²	72	17%	0.172	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-48.1	176.1	-71.6	-56.5	-65.5	0	0	111.5	W903 I912 Q918 I919 E920	W903-M916 HydrophobicContact CZ3-CE 4.16Å; W903-M916 HydrophobicContact CZ3-SD 3.82Å; I912-M916 HydrophobicContact CD1-CG 3.58Å; I912-M916 HydrophobicContact CD1-SD 4.1Å; I912-M916 HydrophobicContact CG1-CG 3.92Å; I912-M916 WeakPolarHBondContact O-CB 3.3Å; I912-M916 WeakPolarHBondContact O-CG 3.32Å; I912-M916 PolarHBondContact O-N 3.32Å; M916-Q918 PolarHBondContact O-N 2.74Å; M916-Q918 VanDerWaalsContact O-N 3.14Å; M916-I919 PolarHBondContact O-N 2.96Å; M916-I919 VanDerWaalsContact O-N 3.13Å; M916-E920 WeakPolarHBondContact O-CB 3.4Å; M916-E920 VanDerWaalsContact O-CG 3.29Å; M916-E920 WeakPolarHBondContact O-CG 3.5Å; M916-E920 PolarHBondContact O-N 3.5Å
917	A	89.4	Confident	87.9	Confident	40 Å²	40	76.9 Å²	76.9	33%	0.331	37%	0.373	S	S	.	.	H	α-helix	trans	-61.1	-26.3	176.8	0	0	0	0	0	113.1	E913 I915 R921	E913-A917 VanDerWaalsContact O-CB 3.27Å; E913-A917 WeakPolarHBondContact O-CB 3.37Å; E913-A917 PolarHBondContact O-N 3.45Å; I915-A917 PolarHBondContact O-N 3.02Å; A917-R921 WeakPolarHBondContact O-CB 3.48Å; A917-R921 PolarHBondContact O-N 2.7Å
918	Q	90.7	Very high	87.8	Confident	53 Å²	53	76.2 Å²	76.2	25%	0.248	36%	0.362	C	S	.	.	H	α-helix	trans	-74	-49.2	173.6	-177.8	179.1	-13.4	0	0	111.3	E873 K914 I915 M916 R921 G922	E873-Q918 HydrophobicContact CB-CG 4.42Å; E873-Q918 HydrophobicContact CG-CG 4.29Å; E873-Q918 WeakPolarHBondContact OE2-CG 3.18Å; E873-Q918 PolarHBondContact OE2-NE2 3.4Å; K914-Q918 PolarHBondContact O-N 2.93Å; K914-Q918 VanDerWaalsContact O-N 3.09Å; I915-Q918 WeakPolarHBondContact O-CB 3.26Å; I915-Q918 PolarHBondContact O-N 3.03Å; I915-Q918 VanDerWaalsContact O-N 3.08Å; M916-Q918 PolarHBondContact O-N 2.74Å; M916-Q918 VanDerWaalsContact O-N 3.14Å; Q918-R921 PolarHBondContact O-N 3.35Å; Q918-G922 PolarHBondContact O-N 3.01Å; Q918-G922 VanDerWaalsContact O-N 3.08Å
919	I	90.4	Very high	87.6	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-64.4	-48.3	-179.6	-63.1	171.5	0	0	0	110.6	I869 N872 W903 I915 M916 R921 G922 E923	I869-I919 HydrophobicContact CD1-CD1 4.28Å; I869-I919 HydrophobicContact CG2-CG1 4.49Å; N872-I919 HydrophobicContact CB-CD1 3.97Å; N872-I919 HydrophobicContact CB-CG1 4.03Å; N872-I919 HydrophobicContact CB-CG2 4.25Å; W903-I919 HydrophobicContact CH2-CD1 3.77Å; W903-I919 HydrophobicContact CH2-CG2 4.22Å; W903-I919 HydrophobicContact CZ2-CD1 4.38Å; I915-I919 HydrophobicContact CG2-CD1 4.03Å; I915-I919 WeakPolarHBondContact O-CG1 3.32Å; I915-I919 PolarHBondContact O-N 2.97Å; M916-I919 PolarHBondContact O-N 2.96Å; M916-I919 VanDerWaalsContact O-N 3.13Å; I919-R921 VanDerWaalsContact C-N 3.26Å; I919-R921 PolarHBondContact O-N 3.04Å; I919-G922 CarbonylContact O-C 3.56Å; I919-G922 WeakPolarHBondContact O-CA 3.34Å; I919-G922 PolarHBondContact O-N 2.84Å; I919-E923 HydrophobicContact CG2-CG 4.4Å; I919-E923 PolarHBondContact O-N 3.13Å
920	E	91.7	Very high	87.6	Confident	100 Å²	100	82.3 Å²	82.3	47%	0.467	39%	0.387	S	S	.	.	H	α-helix	trans	-60.6	-35.5	178.4	-70.6	173.8	174.8	0	0	112.2	M916 G922 E923 A924	M916-E920 WeakPolarHBondContact O-CB 3.4Å; M916-E920 VanDerWaalsContact O-CG 3.29Å; M916-E920 WeakPolarHBondContact O-CG 3.5Å; M916-E920 PolarHBondContact O-N 3.5Å; E920-G922 VanDerWaalsContact C-N 3.34Å; E920-E923 PolarHBondContact O-N 3.31Å; E920-A924 VanDerWaalsContact O-CB 3.25Å; E920-A924 WeakPolarHBondContact O-CB 3.42Å; E920-A924 PolarHBondContact O-N 3.35Å
921	R	88.2	Confident	87.8	Confident	136 Å²	136	76.2 Å²	76.2	51%	0.513	36%	0.363	S	S	.	.	H	α-helix	trans	-66.6	-38.5	173.5	-174	-174.7	-61.1	124.2	3	111.4	A917 Q918 I919 R925	A917-R921 WeakPolarHBondContact O-CB 3.48Å; A917-R921 PolarHBondContact O-N 2.7Å; Q918-R921 PolarHBondContact O-N 3.35Å; I919-R921 VanDerWaalsContact C-N 3.26Å; I919-R921 PolarHBondContact O-N 3.04Å; R921-R925 VanDerWaalsContact O-CG 3.31Å; R921-R925 WeakPolarHBondContact O-CG 3.14Å; R921-R925 PolarHBondContact O-N 3.45Å
922	G	87.2	Confident	88	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-59.2	-53.5	172	0	0	0	0	0	111.9	E873 Q918 I919 E920 A924 R925 I926	E873-G922 WeakPolarHBondContact O-CA 3.26Å; Q918-G922 PolarHBondContact O-N 3.01Å; Q918-G922 VanDerWaalsContact O-N 3.08Å; I919-G922 CarbonylContact O-C 3.56Å; I919-G922 WeakPolarHBondContact O-CA 3.34Å; I919-G922 PolarHBondContact O-N 2.84Å; E920-G922 VanDerWaalsContact C-N 3.34Å; G922-A924 VanDerWaalsContact C-N 3.35Å; G922-A924 PolarHBondContact O-N 3.31Å; G922-R925 WeakPolarHBondContact O-CA 3.45Å; G922-R925 VanDerWaalsContact O-CB 3.32Å; G922-R925 WeakPolarHBondContact O-CB 3.37Å; G922-R925 PolarHBondContact O-N 2.74Å; G922-I926 WeakPolarHBondContact O-CG1 3.3Å; G922-I926 PolarHBondContact O-N 3Å
923	E	90	Very high	88	Confident	44 Å²	44	76.4 Å²	76.4	21%	0.206	36%	0.358	C	S	.	.	H	α-helix	trans	-59.8	-42.1	178.1	-69.9	174.7	162.8	0	0	112.5	R877 I919 E920 R925 I926 Q927	R877-E923 VanDerWaalsContact CB-OE1 3.31Å; R877-E923 WeakPolarHBondContact CB-OE1 3.34Å; R877-E923 WeakPolarHBondContact CG-OE1 3.28Å; R877-E923 IonicContact CZ-OE1 2.83Å; R877-E923 IonicContact CZ-OE2 3.01Å; R877-E923 PolarHBondContact N-OE1 3.34Å; R877-E923 IonicContact NE-OE1 3.74Å; R877-E923 PolarHBondContact NE-OE1 2.83Å; R877-E923 IonicContact NE-OE2 3.94Å; R877-E923 PolarHBondContact NE-OE2 2.95Å; R877-E923 IonicContact NH2-OE1 3.15Å; R877-E923 IonicContact NH2-OE2 3.67Å; R877-E923 PolarHBondContact NH2-OE2 3.17Å; I919-E923 HydrophobicContact CG2-CG 4.4Å; I919-E923 PolarHBondContact O-N 3.13Å; E920-E923 PolarHBondContact O-N 3.31Å; E923-R925 VanDerWaalsContact C-N 3.26Å; E923-R925 PolarHBondContact O-N 3.23Å; E923-I926 PolarHBondContact O-N 3.06Å; E923-I926 VanDerWaalsContact O-N 3.12Å; E923-Q927 WeakPolarHBondContact O-CB 3.18Å; E923-Q927 PolarHBondContact O-N 3.48Å
924	A	87.5	Confident	88.2	Confident	61 Å²	61	75.2 Å²	75.2	50%	0.504	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-36.1	174.6	0	0	0	0	0	112.1	E920 G922 R928	E920-A924 VanDerWaalsContact O-CB 3.25Å; E920-A924 WeakPolarHBondContact O-CB 3.42Å; E920-A924 PolarHBondContact O-N 3.35Å; G922-A924 VanDerWaalsContact C-N 3.35Å; G922-A924 PolarHBondContact O-N 3.31Å; A924-R928 WeakPolarHBondContact O-CB 3.49Å; A924-R928 PolarHBondContact O-N 3.24Å
925	R	85.6	Confident	88.3	Confident	125 Å²	125	68.5 Å²	68.5	47%	0.472	32%	0.323	S	S	.	.	H	α-helix	trans	-68	-42.7	174.2	-68.1	166.3	-176.8	158	2.2	111.2	E873 R921 G922 E923 R928 R929	E873-R925 IonicContact OE1-CZ 3.66Å; E873-R925 IonicContact OE1-NH1 3.81Å; E873-R925 PolarHBondContact OE1-NH1 3.24Å; R921-R925 VanDerWaalsContact O-CG 3.31Å; R921-R925 WeakPolarHBondContact O-CG 3.14Å; R921-R925 PolarHBondContact O-N 3.45Å; G922-R925 WeakPolarHBondContact O-CA 3.45Å; G922-R925 VanDerWaalsContact O-CB 3.32Å; G922-R925 WeakPolarHBondContact O-CB 3.37Å; G922-R925 PolarHBondContact O-N 2.74Å; E923-R925 VanDerWaalsContact C-N 3.26Å; E923-R925 PolarHBondContact O-N 3.23Å; R925-R928 PolarHBondContact O-N 2.75Å; R925-R929 VanDerWaalsContact O-CG 3.29Å; R925-R929 WeakPolarHBondContact O-CG 3.04Å; R925-R929 PolarHBondContact O-N 3.47Å
926	I	85.6	Confident	88.4	Confident	42 Å²	42	67.9 Å²	67.9	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-61.7	-50.6	177.5	-61.9	167.3	0	0	0	109.8	K874 Y875 G922 E923 R928 R929 I930	K874-I926 WeakPolarHBondContact O-CD1 3.44Å; Y875-I926 VanDerWaalsContact C-CD1 3.41Å; G922-I926 WeakPolarHBondContact O-CG1 3.3Å; G922-I926 PolarHBondContact O-N 3Å; E923-I926 PolarHBondContact O-N 3.06Å; E923-I926 VanDerWaalsContact O-N 3.12Å; I926-R928 VanDerWaalsContact C-N 3.31Å; I926-R928 PolarHBondContact O-N 3.22Å; I926-R929 WeakPolarHBondContact O-CB 3.48Å; I926-R929 PolarHBondContact O-N 2.74Å; I926-R929 VanDerWaalsContact O-N 3.1Å; I926-I930 HydrophobicContact CG2-CD1 4.11Å; I926-I930 WeakPolarHBondContact O-CG1 3.27Å; I926-I930 PolarHBondContact O-N 2.91Å
927	Q	86.9	Confident	88.5	Confident	124 Å²	124	69.4 Å²	69.4	58%	0.579	33%	0.328	S	S	*	.	H	α-helix	trans	-61.3	-40.3	178.6	-171.8	60.9	15.8	0	0	111.9	E923 I930 S931	E923-Q927 WeakPolarHBondContact O-CB 3.18Å; E923-Q927 PolarHBondContact O-N 3.48Å; Q927-I930 PolarHBondContact O-N 3.29Å; Q927-S931 WeakPolarHBondContact O-CB 3.41Å; Q927-S931 PolarHBondContact O-N 3.29Å
928	R	86.2	Confident	88.6	Confident	105 Å²	105	69.3 Å²	69.3	40%	0.396	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-42.6	174.6	-173.7	64.4	-179.8	162.4	8.4	111.4	A924 R925 I926 I930 S931 I932 E1024	A924-R928 WeakPolarHBondContact O-CB 3.49Å; A924-R928 PolarHBondContact O-N 3.24Å; R925-R928 PolarHBondContact O-N 2.75Å; I926-R928 VanDerWaalsContact C-N 3.31Å; I926-R928 PolarHBondContact O-N 3.22Å; R928-I930 PolarHBondContact O-N 2.76Å; R928-S931 PolarHBondContact O-N 2.72Å; R928-I932 HydrophobicContact CG-CD1 3.86Å; R928-I932 HydrophobicContact CG-CG1 4.4Å; R928-I932 WeakPolarHBondContact O-CB 3.45Å; R928-I932 WeakPolarHBondContact O-CG1 3.33Å; R928-I932 PolarHBondContact O-N 3.45Å; R928-E1024 IonicContact CZ-OE1 3.36Å; R928-E1024 IonicContact CZ-OE2 3.94Å; R928-E1024 VanDerWaalsContact CZ-OE2 3.27Å; R928-E1024 VanDerWaalsContact NH1-CD 3.26Å; R928-E1024 IonicContact NH1-OE1 2.77Å; R928-E1024 PolarHBondContact NH1-OE1 2.97Å; R928-E1024 IonicContact NH1-OE2 2.75Å; R928-E1024 PolarHBondContact NH1-OE2 3.46Å; R928-E1024 IonicContact NH2-OE1 3.13Å; R928-E1024 IonicContact NH2-OE2 2.92Å; R928-E1024 PolarHBondContact NH2-OE2 3.34Å
929	R	83.7	Confident	88.6	Confident	123 Å²	123	66.8 Å²	66.8	46%	0.464	32%	0.316	S	S	.	.	H	α-helix	trans	-60	-45.1	176.1	-72.9	169.9	-179.4	179.8	-0.9	111.7	R925 I926 I932 K933 F979	R925-R929 VanDerWaalsContact O-CG 3.29Å; R925-R929 WeakPolarHBondContact O-CG 3.04Å; R925-R929 PolarHBondContact O-N 3.47Å; I926-R929 WeakPolarHBondContact O-CB 3.48Å; I926-R929 PolarHBondContact O-N 2.74Å; I926-R929 VanDerWaalsContact O-N 3.1Å; R929-I932 PolarHBondContact O-N 2.89Å; R929-K933 WeakPolarHBondContact O-CB 3.34Å; R929-K933 PolarHBondContact O-N 3.34Å; R929-F979 HydrophobicContact CG-CD1 4.2Å; R929-F979 HydrophobicContact CG-CE1 4.18Å
930	I	86.6	Confident	88.6	Confident	95 Å²	95	68 Å²	68	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-45.8	177.5	-64.4	168.5	0	0	0	110.8	I926 Q927 R928 I932 K933 K934	I926-I930 HydrophobicContact CG2-CD1 4.11Å; I926-I930 WeakPolarHBondContact O-CG1 3.27Å; I926-I930 PolarHBondContact O-N 2.91Å; Q927-I930 PolarHBondContact O-N 3.29Å; R928-I930 PolarHBondContact O-N 2.76Å; I930-I932 PolarHBondContact O-N 3.48Å; I930-K933 PolarHBondContact O-N 3.11Å; I930-K934 WeakPolarHBondContact O-CB 3.37Å; I930-K934 PolarHBondContact O-N 2.83Å
931	S	88.3	Confident	88.6	Confident	46 Å²	46	67.2 Å²	67.2	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-57.7	-49	177	-175	0	0	0	0	112	Q927 R928 K933 K934 A935 E1024	Q927-S931 WeakPolarHBondContact O-CB 3.41Å; Q927-S931 PolarHBondContact O-N 3.29Å; R928-S931 PolarHBondContact O-N 2.72Å; S931-K933 PolarHBondContact O-N 3.32Å; S931-K934 PolarHBondContact O-N 2.98Å; S931-A935 WeakPolarHBondContact O-CB 3.09Å; S931-A935 PolarHBondContact O-N 2.87Å; S931-E1024 PolarHBondContact OG-OE1 2.93Å
932	I	88.1	Confident	88.7	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-47.1	-179.3	-68.5	174.2	0	0	0	110.6	R928 R929 I930 K934 A935 L936 F979 I1020	R928-I932 HydrophobicContact CG-CD1 3.86Å; R928-I932 HydrophobicContact CG-CG1 4.4Å; R928-I932 WeakPolarHBondContact O-CB 3.45Å; R928-I932 WeakPolarHBondContact O-CG1 3.33Å; R928-I932 PolarHBondContact O-N 3.45Å; R929-I932 PolarHBondContact O-N 2.89Å; I930-I932 PolarHBondContact O-N 3.48Å; I932-K934 PolarHBondContact O-N 3.16Å; I932-A935 PolarHBondContact O-N 3.32Å; I932-L936 HydrophobicContact CG2-CD1 3.87Å; I932-L936 HydrophobicContact CG2-CG 4.3Å; I932-L936 WeakPolarHBondContact O-CG 3.47Å; I932-L936 PolarHBondContact O-N 3.45Å; I932-F979 HydrophobicContact CD1-CD1 4.34Å; I932-F979 HydrophobicContact CD1-CE1 3.65Å; I932-F979 HydrophobicContact CD1-CE2 4Å; I932-F979 HydrophobicContact CD1-CZ 3.46Å; I932-F979 VanDerWaalsContact CD1-CZ 3.46Å; I932-F979 HydrophobicContact CG2-CD1 4.3Å; I932-F979 HydrophobicContact CG2-CD2 3.98Å; I932-F979 HydrophobicContact CG2-CE2 4.24Å; I932-F979 HydrophobicContact CG2-CG 4.02Å; I932-I1020 HydrophobicContact CB-CG2 4.46Å; I932-I1020 HydrophobicContact CD1-CD1 4.31Å; I932-I1020 HydrophobicContact CD1-CG2 4.23Å; I932-I1020 HydrophobicContact CG1-CG2 3.74Å; I932-I1020 HydrophobicContact CG2-CD1 3.74Å; I932-I1020 HydrophobicContact CG2-CG1 4.2Å; I932-I1020 HydrophobicContact CG2-CG2 4.23Å
933	K	88.4	Confident	89	Confident	137 Å²	137	67.8 Å²	67.8	60%	0.596	34%	0.335	S	S	*	.	H	α-helix	trans	-57.5	-50.7	178	-176.2	177.8	178.6	180	0	111	R929 I930 S931 A935 L936 D937	R929-K933 WeakPolarHBondContact O-CB 3.34Å; R929-K933 PolarHBondContact O-N 3.34Å; I930-K933 PolarHBondContact O-N 3.11Å; S931-K933 PolarHBondContact O-N 3.32Å; K933-A935 VanDerWaalsContact C-N 3.31Å; K933-A935 PolarHBondContact O-N 3.38Å; K933-L936 PolarHBondContact O-N 2.99Å; K933-D937 WeakPolarHBondContact O-CB 3.42Å; K933-D937 VanDerWaalsContact O-CG 3.29Å; K933-D937 PolarHBondContact O-N 3.44Å
934	K	90.3	Very high	88.8	Confident	144 Å²	144	75.7 Å²	75.7	63%	0.626	37%	0.369	S	S	*	.	H	α-helix	trans	-58.3	-42.1	177.2	-175.2	-179.8	176.7	-173.5	0	112.1	I930 S931 I932 A938	I930-K934 WeakPolarHBondContact O-CB 3.37Å; I930-K934 PolarHBondContact O-N 2.83Å; S931-K934 PolarHBondContact O-N 2.98Å; I932-K934 PolarHBondContact O-N 3.16Å; K934-A938 VanDerWaalsContact O-CB 3.31Å; K934-A938 WeakPolarHBondContact O-CB 3.39Å; K934-A938 PolarHBondContact O-N 3.45Å
935	A	91.1	Very high	89	Confident	8 Å²	8	74.6 Å²	74.6	7%	0.066	36%	0.359	C	S	.	.	H	α-helix	trans	-65.9	-42.7	-179.9	0	0	0	0	0	112.3	S931 I932 K933 K939 I1023 E1024 N1027	S931-A935 WeakPolarHBondContact O-CB 3.09Å; S931-A935 PolarHBondContact O-N 2.87Å; I932-A935 PolarHBondContact O-N 3.32Å; K933-A935 VanDerWaalsContact C-N 3.31Å; K933-A935 PolarHBondContact O-N 3.38Å; A935-K939 WeakPolarHBondContact O-CB 2.95Å; A935-K939 PolarHBondContact O-N 2.9Å; A935-I1023 HydrophobicContact CB-CG2 4.35Å; A935-I1023 WeakPolarHBondContact O-CG2 2.9Å; A935-E1024 HydrophobicContact CB-CG 3.74Å; A935-N1027 WeakPolarHBondContact CA-ND2 3.38Å; A935-N1027 PolarHBondContact O-ND2 2.99Å
936	L	91.1	Very high	89.1	Confident	4 Å²	4	69.9 Å²	69.9	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-68.3	-44.2	176.7	-67.9	177.1	0	0	0	111.9	I932 K933 A938 K939 I940 I971 L974 I1020 I1023	I932-L936 HydrophobicContact CG2-CD1 3.87Å; I932-L936 HydrophobicContact CG2-CG 4.3Å; I932-L936 WeakPolarHBondContact O-CG 3.47Å; I932-L936 PolarHBondContact O-N 3.45Å; K933-L936 PolarHBondContact O-N 2.99Å; L936-A938 PolarHBondContact O-N 3.27Å; L936-K939 PolarHBondContact O-N 2.8Å; L936-I940 WeakPolarHBondContact O-CB 3.29Å; L936-I940 WeakPolarHBondContact O-CG1 3.35Å; L936-I940 PolarHBondContact O-N 2.72Å; L936-I971 HydrophobicContact CD2-CD1 4.05Å; L936-I971 HydrophobicContact CD2-CG2 3.99Å; L936-L974 HydrophobicContact CD1-CD2 4.43Å; L936-I1020 HydrophobicContact CD2-CG1 4.44Å; L936-I1023 HydrophobicContact CD2-CD1 4.01Å
937	D	91.3	Very high	89.4	Confident	67 Å²	67	71.7 Å²	71.7	36%	0.358	35%	0.351	S	S	.	.	H	α-helix	trans	-57.6	-49.5	175.9	-75.5	-28.3	0	0	0	110.9	K933 K939 I940 A941 H975	K933-D937 WeakPolarHBondContact O-CB 3.42Å; K933-D937 VanDerWaalsContact O-CG 3.29Å; K933-D937 PolarHBondContact O-N 3.44Å; D937-K939 VanDerWaalsContact C-N 3.31Å; D937-K939 PolarHBondContact O-N 3.3Å; D937-I940 PolarHBondContact O-N 2.98Å; D937-A941 VanDerWaalsContact O-CB 3.28Å; D937-A941 WeakPolarHBondContact O-CB 3.34Å; D937-A941 PolarHBondContact O-N 3.4Å; D937-H975 IonicContact OD1-CD2 3.91Å; D937-H975 PolarHBondContact OD1-CD2 3Å; D937-H975 IonicContact OD1-CE1 3.58Å; D937-H975 IonicContact OD1-NE2 2.94Å; D937-H975 PolarHBondContact OD1-NE2 3.26Å
938	A	91	Very high	89.4	Confident	38 Å²	38	73 Å²	73	31%	0.314	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-39.1	178.1	0	0	0	0	0	112.3	K934 L936 R942	K934-A938 VanDerWaalsContact O-CB 3.31Å; K934-A938 WeakPolarHBondContact O-CB 3.39Å; K934-A938 PolarHBondContact O-N 3.45Å; L936-A938 PolarHBondContact O-N 3.27Å; A938-R942 WeakPolarHBondContact O-CG 2.75Å
939	K	91.2	Very high	89.6	Confident	1 Å²	1	72.4 Å²	72.4	0%	0.004	36%	0.359	C	S	.	.	H	α-helix	trans	-68.2	-43.8	178.8	-178.4	66.1	-176.3	-177.7	0	111.9	A935 L936 D937 R942 Y943 L950 R951 I1023 E1026	A935-K939 WeakPolarHBondContact O-CB 2.95Å; A935-K939 PolarHBondContact O-N 2.9Å; L936-K939 PolarHBondContact O-N 2.8Å; D937-K939 VanDerWaalsContact C-N 3.31Å; D937-K939 PolarHBondContact O-N 3.3Å; K939-R942 PolarHBondContact O-N 3.25Å; K939-Y943 HydrophobicContact CD-CE2 4.36Å; K939-Y943 PolarHBondContact NZ-OH 3.04Å; K939-Y943 VanDerWaalsContact O-CD2 3.29Å; K939-Y943 WeakPolarHBondContact O-CD2 3.42Å; K939-Y943 WeakPolarHBondContact O-CE2 2.96Å; K939-L950 HydrophobicContact CG-CD1 4.12Å; K939-R951 VanDerWaalsContact CE-O 3.26Å; K939-R951 WeakPolarHBondContact CE-O 3.32Å; K939-R951 PolarHBondContact NZ-O 3.04Å; K939-I1023 HydrophobicContact CB-CG2 3.63Å; K939-I1023 HydrophobicContact CD-CG1 4.36Å; K939-I1023 HydrophobicContact CD-CG2 4.25Å; K939-I1023 HydrophobicContact CG-CD1 4.18Å; K939-I1023 HydrophobicContact CG-CG1 4.16Å; K939-I1023 HydrophobicContact CG-CG2 3.94Å; K939-E1026 IonicContact NZ-OE1 3.07Å; K939-E1026 PolarHBondContact NZ-OE1 2.83Å; K939-E1026 IonicContact NZ-OE2 3.41Å; K939-E1026 PolarHBondContact NZ-OE2 3.01Å
940	I	91.3	Very high	90	Very high	24 Å²	24	66.6 Å²	66.6	12%	0.123	34%	0.337	C	S	.	.	H	α-helix	trans	-71.9	-37.8	-177.3	-76.2	168.8	0	0	0	111.3	L936 D937 R942 Y943 P946 L950 H975	L936-I940 WeakPolarHBondContact O-CB 3.29Å; L936-I940 WeakPolarHBondContact O-CG1 3.35Å; L936-I940 PolarHBondContact O-N 2.72Å; D937-I940 PolarHBondContact O-N 2.98Å; I940-R942 PolarHBondContact O-N 3.33Å; I940-R942 VanDerWaalsContact O-N 3.07Å; I940-Y943 PolarHBondContact O-N 3.49Å; I940-Y943 VanDerWaalsContact O-N 3.07Å; I940-P946 HydrophobicContact CG2-CB 4.4Å; I940-P946 HydrophobicContact CG2-CG 3.8Å; I940-L950 HydrophobicContact CG1-CD1 4.06Å; I940-H975 HydrophobicContact CD1-CB 3.2Å; I940-H975 VanDerWaalsContact CD1-ND1 3.3Å; I940-H975 WeakPolarHBondContact CD1-ND1 3.47Å
941	A	91.4	Very high	90.1	Very high	85 Å²	85	70.3 Å²	70.3	70%	0.702	35%	0.345	S	S	*	.	H	α-helix	trans	-59.3	-20.6	177.1	0	0	0	0	0	114.1	D937 Y943	D937-A941 VanDerWaalsContact O-CB 3.28Å; D937-A941 WeakPolarHBondContact O-CB 3.34Å; D937-A941 PolarHBondContact O-N 3.4Å; A941-Y943 VanDerWaalsContact C-N 3.27Å; A941-Y943 PolarHBondContact O-N 3.4Å
942	R	90.7	Very high	90.1	Very high	93 Å²	93	68.5 Å²	68.5	35%	0.351	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.9	176.9	-67.6	173.5	-174	147.4	13.6	114	A938 K939 I940 E1026 N1027 I1030	A938-R942 WeakPolarHBondContact O-CG 2.75Å; K939-R942 PolarHBondContact O-N 3.25Å; I940-R942 PolarHBondContact O-N 3.33Å; I940-R942 VanDerWaalsContact O-N 3.07Å; R942-E1026 IonicContact NH1-OE1 3.25Å; R942-E1026 PolarHBondContact NH1-OE1 3.48Å; R942-N1027 PolarHBondContact NH1-OD1 3.33Å; R942-N1027 PolarHBondContact NH2-OD1 3.4Å; R942-I1030 VanDerWaalsContact NH1-CD1 3.29Å
943	Y	91.8	Very high	90	Very high	55 Å²	55	73.4 Å²	73.4	22%	0.216	35%	0.354	C	S	.	.			trans	-124.4	130.6	-172.6	-57.1	-83.4	0	0	0	111	K939 I940 A941 A945 Q949 L950 R951	K939-Y943 HydrophobicContact CD-CE2 4.36Å; K939-Y943 PolarHBondContact NZ-OH 3.04Å; K939-Y943 VanDerWaalsContact O-CD2 3.29Å; K939-Y943 WeakPolarHBondContact O-CD2 3.42Å; K939-Y943 WeakPolarHBondContact O-CE2 2.96Å; I940-Y943 PolarHBondContact O-N 3.49Å; I940-Y943 VanDerWaalsContact O-N 3.07Å; A941-Y943 VanDerWaalsContact C-N 3.27Å; A941-Y943 PolarHBondContact O-N 3.4Å; Y943-A945 VanDerWaalsContact C-N 3.35Å; Y943-Q949 HydrophobicContact CD1-CB 3.86Å; Y943-Q949 WeakPolarHBondContact CD1-O 3.36Å; Y943-Q949 WeakPolarHBondContact CE1-O 3.11Å; Y943-Q949 HydrophobicContact CG-CB 4.42Å; Y943-L950 HydrophobicContact CD2-CB 3.98Å; Y943-L950 HydrophobicContact CD2-CD1 4.41Å; Y943-L950 HydrophobicContact CD2-CG 4.06Å; Y943-L950 HydrophobicContact CE2-CB 4.17Å; Y943-L950 HydrophobicContact CE2-CG 3.95Å; Y943-L950 HydrophobicContact CG-CB 4.3Å; Y943-R951 PolarHBondContact OH-O 3.1Å
944	K	87.4	Confident	89.9	Confident	211 Å²	211	67.7 Å²	67.7	92%	0.917	33%	0.329	S	S	*	.	S	Bend	trans	-68.7	-34.8	175.9	-69.2	-173.4	179.1	-177.4	0	112.2
945	A	90.4	Very high	89.2	Confident	37 Å²	37	64 Å²	64	31%	0.306	33%	0.332	S	S	.	.	S	Bend	trans	-126.9	78.5	177.2	0	0	0	0	0	111	Y943 F947 H948 Q949	Y943-A945 VanDerWaalsContact C-N 3.35Å; A945-F947 VanDerWaalsContact C-N 3.34Å; A945-F947 PolarHBondContact O-N 2.98Å; A945-H948 PolarHBondContact O-N 2.66Å; A945-Q949 HydrophobicContact CB-CG 4.21Å; A945-Q949 WeakPolarHBondContact O-CB 3.31Å; A945-Q949 PolarHBondContact O-N 2.8Å
946	P	89.4	Confident	88.3	Confident	26 Å²	26	70.8 Å²	70.8	17%	0.169	37%	0.373	C	S	.	.	H	α-helix	trans	-53.6	-42.5	-171.4	-26.9	33.5	0	0	0	114.4	I940 H948 Q949 L950 R968	I940-P946 HydrophobicContact CG2-CB 4.4Å; I940-P946 HydrophobicContact CG2-CG 3.8Å; P946-H948 PolarHBondContact O-N 3.07Å; P946-H948 VanDerWaalsContact O-N 3.11Å; P946-Q949 PolarHBondContact O-N 2.91Å; P946-L950 HydrophobicContact CB-CD1 4.46Å; P946-L950 WeakPolarHBondContact O-CB 3.27Å; P946-L950 PolarHBondContact O-N 3.25Å; P946-R968 WeakPolarHBondContact O-CD 3.44Å
947	F	90	Very high	87	Confident	80 Å²	80	74 Å²	74	35%	0.351	40%	0.396	S	S	.	.	H	α-helix	trans	-60.9	-22.2	179.2	-74.5	-81.3	0	0	0	114.9	A945 R968 F969 C972 M973	A945-F947 VanDerWaalsContact C-N 3.34Å; A945-F947 PolarHBondContact O-N 2.98Å; F947-R968 VanDerWaalsContact C-CD 3.48Å; F947-R968 WeakPolarHBondContact O-CD 3.36Å; F947-F969 HydrophobicContact CD1-CD2 4.38Å; F947-F969 HydrophobicContact CE1-CD2 4.28Å; F947-C972 HydrophobicContact CD1-CB 3.71Å; F947-C972 HydrophobicContact CD2-CB 4.31Å; F947-C972 HydrophobicContact CE1-CB 3.23Å; F947-C972 HydrophobicContact CE2-CB 3.9Å; F947-C972 HydrophobicContact CG-CB 4.21Å; F947-C972 HydrophobicContact CZ-CB 3.31Å; F947-M973 HydrophobicContact CE1-CE 3.27Å; F947-M973 HydrophobicContact CE2-CE 4.28Å; F947-M973 HydrophobicContact CZ-CE 3.1Å
948	H	88.5	Confident	85.5	Confident	152 Å²	152	76.7 Å²	76.7	70%	0.704	40%	0.404	S	S	*	.	H	α-helix	trans	-112.3	-25.9	-178.2	-60.5	89.6	0	0	0	112.7	A945 P946 R968	A945-H948 PolarHBondContact O-N 2.66Å; P946-H948 PolarHBondContact O-N 3.07Å; P946-H948 VanDerWaalsContact O-N 3.11Å; H948-R968 PolarHBondContact O-NH1 3.16Å
949	Q	89.9	Confident	84.1	Confident	93 Å²	93	76.5 Å²	76.5	44%	0.435	41%	0.406	S	S	.	.	H	α-helix	trans	-111.4	-23.6	-169.1	-63.5	177.1	-21.3	0	0	114.1	Y943 A945 P946 R951	Y943-Q949 HydrophobicContact CD1-CB 3.86Å; Y943-Q949 WeakPolarHBondContact CD1-O 3.36Å; Y943-Q949 WeakPolarHBondContact CE1-O 3.11Å; Y943-Q949 HydrophobicContact CG-CB 4.42Å; A945-Q949 HydrophobicContact CB-CG 4.21Å; A945-Q949 WeakPolarHBondContact O-CB 3.31Å; A945-Q949 PolarHBondContact O-N 2.8Å; P946-Q949 PolarHBondContact O-N 2.91Å; Q949-R951 PolarHBondContact O-N 2.75Å; Q949-R951 VanDerWaalsContact O-N 3.16Å
950	L	91.5	Very high	83	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	45%	0.45	C	S	.	.			trans	-64	119.2	-173.5	-177.4	157.9	0	0	0	109.9	K939 I940 Y943 P946 I952 R968 I971	K939-L950 HydrophobicContact CG-CD1 4.12Å; I940-L950 HydrophobicContact CG1-CD1 4.06Å; Y943-L950 HydrophobicContact CD2-CB 3.98Å; Y943-L950 HydrophobicContact CD2-CD1 4.41Å; Y943-L950 HydrophobicContact CD2-CG 4.06Å; Y943-L950 HydrophobicContact CE2-CB 4.17Å; Y943-L950 HydrophobicContact CE2-CG 3.95Å; Y943-L950 HydrophobicContact CG-CB 4.3Å; P946-L950 HydrophobicContact CB-CD1 4.46Å; P946-L950 WeakPolarHBondContact O-CB 3.27Å; P946-L950 PolarHBondContact O-N 3.25Å; L950-I952 HydrophobicContact CD2-CD1 4.24Å; L950-I952 HydrophobicContact CD2-CG1 3.67Å; L950-R968 HydrophobicContact CB-CG 4.1Å; L950-R968 HydrophobicContact CD2-CG 4.3Å; L950-R968 PolarHBondContact O-NE 2.63Å; L950-R968 PolarHBondContact O-NH2 2.98Å; L950-I971 HydrophobicContact CD1-CG2 4.23Å
951	R	89.8	Confident	82.6	Confident	173 Å²	173	90.7 Å²	90.7	65%	0.653	47%	0.472	S	S	*	.			trans	-107.3	141.1	176.4	-67	-170.5	177	-138.9	0.4	109.5	K939 Y943 Q949	K939-R951 VanDerWaalsContact CE-O 3.26Å; K939-R951 WeakPolarHBondContact CE-O 3.32Å; K939-R951 PolarHBondContact NZ-O 3.04Å; Y943-R951 PolarHBondContact OH-O 3.1Å; Q949-R951 PolarHBondContact O-N 2.75Å; Q949-R951 VanDerWaalsContact O-N 3.16Å
952	I	88.5	Confident	82.4	Confident	9 Å²	9	88.1 Å²	88.1	5%	0.046	45%	0.445	C	S	.	.			trans	-107.8	128	-179.9	-58.3	175	0	0	0	108.3	L950 Y954 D967 I971 L1019 L1022	L950-I952 HydrophobicContact CD2-CD1 4.24Å; L950-I952 HydrophobicContact CD2-CG1 3.67Å; I952-Y954 HydrophobicContact CB-CE1 4.17Å; I952-Y954 HydrophobicContact CB-CE2 4.2Å; I952-Y954 HydrophobicContact CG2-CD1 4.24Å; I952-Y954 HydrophobicContact CG2-CE1 3.94Å; I952-Y954 WeakPolarHBondContact O-CD2 3.47Å; I952-Y954 WeakPolarHBondContact O-CE2 3.46Å; I952-Y954 PolarHBondContact O-N 2.96Å; I952-D967 HydrophobicContact CD1-CB 3.69Å; I952-I971 HydrophobicContact CD1-CG1 4.32Å; I952-L1019 HydrophobicContact CD1-CD2 4.07Å; I952-L1019 HydrophobicContact CG2-CD2 4.42Å; I952-L1022 HydrophobicContact CG2-CB 4.47Å; I952-L1022 HydrophobicContact CG2-CD1 4.26Å
953	Q	85.9	Confident	82.3	Confident	104 Å²	104	87 Å²	87	49%	0.486	45%	0.448	S	S	.	.			trans	-85.6	97.7	177.7	-168.9	172	-8.4	0	0	109.7	G955	Q953-G955 PolarHBondContact O-N 3.46Å
954	Y	85.1	Confident	82.2	Confident	17 Å²	17	86.9 Å²	86.9	7%	0.067	45%	0.45	C	S	.	.			trans	-74.2	-21.9	-174.9	-59	-80.3	0	0	0	114.6	I952 T956 S957 K958 E964 D967 L1019 L1022	I952-Y954 HydrophobicContact CB-CE1 4.17Å; I952-Y954 HydrophobicContact CB-CE2 4.2Å; I952-Y954 HydrophobicContact CG2-CD1 4.24Å; I952-Y954 HydrophobicContact CG2-CE1 3.94Å; I952-Y954 WeakPolarHBondContact O-CD2 3.47Å; I952-Y954 WeakPolarHBondContact O-CE2 3.46Å; I952-Y954 PolarHBondContact O-N 2.96Å; Y954-T956 PolarHBondContact O-N 2.84Å; Y954-S957 WeakPolarHBondContact O-CB 3.3Å; Y954-S957 PolarHBondContact O-N 3.05Å; Y954-K958 HydrophobicContact CD1-CB 4.45Å; Y954-K958 HydrophobicContact CD1-CG 4.05Å; Y954-K958 HydrophobicContact CD2-CB 4.47Å; Y954-K958 HydrophobicContact CD2-CD 3.85Å; Y954-K958 HydrophobicContact CD2-CG 3.85Å; Y954-K958 HydrophobicContact CE2-CD 4.31Å; Y954-K958 HydrophobicContact CE2-CG 4.41Å; Y954-K958 HydrophobicContact CG-CB 3.95Å; Y954-K958 HydrophobicContact CG-CD 4.18Å; Y954-K958 HydrophobicContact CG-CG 3.67Å; Y954-E964 HydrophobicContact CE2-CB 4.47Å; Y954-E964 HydrophobicContact CE2-CG 4.27Å; Y954-E964 WeakPolarHBondContact OH-CA 3.37Å; Y954-E964 WeakPolarHBondContact OH-CG 3.48Å; Y954-D967 WeakPolarHBondContact CE1-OD2 3.3Å; Y954-D967 PolarHBondContact OH-OD2 3.32Å; Y954-L1019 HydrophobicContact CE1-CD2 4.42Å; Y954-L1022 HydrophobicContact CD1-CD1 4.06Å
955	G	76	Confident	82.3	Confident	67 Å²	67	82 Å²	82	69%	0.691	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-136	-168.8	0	0	0	0	0	111.4	Q953 S957	Q953-G955 PolarHBondContact O-N 3.46Å; G955-S957 PolarHBondContact O-N 3.36Å
956	T	72.7	Confident	82.4	Confident	151 Å²	151	80.5 Å²	80.5	93%	0.926	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-7.5	173.3	47.6	0	0	0	0	113.5	Y954 K958	Y954-T956 PolarHBondContact O-N 2.84Å; T956-K958 PolarHBondContact O-N 2.89Å
957	S	62.6	Low	82.6	Confident	72 Å²	72	79.3 Å²	79.3	50%	0.503	41%	0.409	S	S	.	.			trans	-97.4	23	-170	-58.1	0	0	0	0	114.4	Y954 G955 G959	Y954-S957 WeakPolarHBondContact O-CB 3.3Å; Y954-S957 PolarHBondContact O-N 3.05Å; G955-S957 PolarHBondContact O-N 3.36Å; S957-G959 PolarHBondContact O-N 2.91Å
958	K	60.9	Low	82.8	Confident	122 Å²	122	77.4 Å²	77.4	53%	0.53	40%	0.4	S	S	.	.			trans	-70.9	84.3	176.1	-157.9	178.7	-173.4	-177.7	0	109.5	Y954 T956	Y954-K958 HydrophobicContact CD1-CB 4.45Å; Y954-K958 HydrophobicContact CD1-CG 4.05Å; Y954-K958 HydrophobicContact CD2-CB 4.47Å; Y954-K958 HydrophobicContact CD2-CD 3.85Å; Y954-K958 HydrophobicContact CD2-CG 3.85Å; Y954-K958 HydrophobicContact CE2-CD 4.31Å; Y954-K958 HydrophobicContact CE2-CG 4.41Å; Y954-K958 HydrophobicContact CG-CB 3.95Å; Y954-K958 HydrophobicContact CG-CD 4.18Å; Y954-K958 HydrophobicContact CG-CG 3.67Å; T956-K958 PolarHBondContact O-N 2.89Å
959	G	62.3	Low	83.1	Confident	34 Å²	34	71 Å²	71	35%	0.351	37%	0.369	S	S	.	.			trans	-56.3	140.1	175.6	0	0	0	0	0	110.8	S957 N961	S957-G959 PolarHBondContact O-N 2.91Å; G959-N961 PolarHBondContact O-N 3.12Å; G959-N961 VanDerWaalsContact O-N 3.13Å
960	K	68.1	Low	83.3	Confident	211 Å²	211	66.5 Å²	66.5	92%	0.917	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-7.8	-173.1	-70.3	-175.7	177.4	179.3	0	115
961	N	81.1	Confident	83.4	Confident	112 Å²	112	66.5 Å²	66.5	60%	0.599	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-33.5	-163.1	-61.8	-2.6	0	0	0	114.3	G959 F1003	G959-N961 PolarHBondContact O-N 3.12Å; G959-N961 VanDerWaalsContact O-N 3.13Å; N961-F1003 HydrophobicContact CB-CZ 3.89Å; N961-F1003 WeakPolarHBondContact O-CE1 3.31Å; N961-F1003 VanDerWaalsContact O-CZ 3.26Å; N961-F1003 WeakPolarHBondContact O-CZ 3.5Å
962	Y	88.2	Confident	83.5	Confident	32 Å²	32	58.4 Å²	58.4	13%	0.125	32%	0.319	C	S	.	.	S	Bend	trans	-110.1	138.4	-176.7	-68.4	-92.7	0	0	0	110.5	E966 D967 F1003 R1015	Y962-E966 WeakPolarHBondContact CA-OE2 3.44Å; Y962-E966 WeakPolarHBondContact CD1-OE2 3.17Å; Y962-D967 WeakPolarHBondContact CB-OD1 3.31Å; Y962-F1003 AromaticContact CD1-CE1 3.91Å; Y962-F1003 HydrophobicContact CD1-CE1 3.91Å; Y962-F1003 AromaticContact CE1-CE1 3.95Å; Y962-F1003 HydrophobicContact CE1-CE1 3.95Å; Y962-F1003 HydrophobicContact CE1-CZ 4.42Å; Y962-F1003 HydrophobicContact CE2-CZ 4.4Å; Y962-F1003 HydrophobicContact CG-CE1 4.23Å; Y962-R1015 HydrophobicContact CD1-CG 4.18Å; Y962-R1015 HydrophobicContact CD2-CG 4.05Å; Y962-R1015 HydrophobicContact CE1-CG 4.04Å; Y962-R1015 HydrophobicContact CE2-CB 4.26Å; Y962-R1015 HydrophobicContact CE2-CG 3.91Å; Y962-R1015 HydrophobicContact CG-CG 4.18Å
963	T	89.3	Confident	83.7	Confident	69 Å²	69	59 Å²	59	42%	0.423	32%	0.322	S	S	.	.			trans	-78.7	160	172.6	67.2	0	0	0	0	111.5	E965 E966 D967	T963-E965 PolarHBondContact O-N 3.12Å; T963-E966 WeakPolarHBondContact CB-OE1 3.36Å; T963-E966 WeakPolarHBondContact CG2-OE1 3.5Å; T963-E966 PolarHBondContact N-OE1 3.21Å; T963-E966 PolarHBondContact N-OE2 2.89Å; T963-E966 WeakPolarHBondContact O-CB 3.36Å; T963-E966 PolarHBondContact O-N 3.41Å; T963-E966 WeakPolarHBondContact OG1-CG 3.44Å; T963-E966 PolarHBondContact OG1-N 2.94Å; T963-E966 PolarHBondContact OG1-OE1 3.01Å; T963-D967 PolarHBondContact O-N 2.86Å
964	E	88.7	Confident	84	Confident	52 Å²	52	54.1 Å²	54.1	24%	0.243	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-27.3	178.5	-178.4	173	175.5	0	0	112.5	Y954 R968	Y954-E964 HydrophobicContact CE2-CB 4.47Å; Y954-E964 HydrophobicContact CE2-CG 4.27Å; Y954-E964 WeakPolarHBondContact OH-CA 3.37Å; Y954-E964 WeakPolarHBondContact OH-CG 3.48Å; E964-R968 WeakPolarHBondContact O-CB 3.2Å; E964-R968 PolarHBondContact O-N 3.44Å
965	E	90.3	Very high	84.3	Confident	108 Å²	108	56.3 Å²	56.3	51%	0.505	31%	0.309	S	S	.	.	H	α-helix	trans	-69	-44.4	174.4	-175.9	173.9	-177.2	0	0	111.7	T963 R968 F969 F998	T963-E965 PolarHBondContact O-N 3.12Å; E965-R968 PolarHBondContact O-N 2.83Å; E965-F969 PolarHBondContact O-N 2.85Å; E965-F998 HydrophobicContact CG-CE1 4.48Å
966	E	92.3	Very high	84.9	Confident	7 Å²	7	60.6 Å²	60.6	3%	0.033	31%	0.309	C	S	.	.	H	α-helix	trans	-59.1	-51.5	174.1	-69.9	160	-131.1	0	0	111.2	Y962 T963 R968 F969 L970 F998 I1004	Y962-E966 WeakPolarHBondContact CA-OE2 3.44Å; Y962-E966 WeakPolarHBondContact CD1-OE2 3.17Å; T963-E966 WeakPolarHBondContact CB-OE1 3.36Å; T963-E966 WeakPolarHBondContact CG2-OE1 3.5Å; T963-E966 PolarHBondContact N-OE1 3.21Å; T963-E966 PolarHBondContact N-OE2 2.89Å; T963-E966 WeakPolarHBondContact O-CB 3.36Å; T963-E966 PolarHBondContact O-N 3.41Å; T963-E966 WeakPolarHBondContact OG1-CG 3.44Å; T963-E966 PolarHBondContact OG1-N 2.94Å; T963-E966 PolarHBondContact OG1-OE1 3.01Å; E966-R968 VanDerWaalsContact C-N 3.33Å; E966-R968 PolarHBondContact O-N 3.31Å; E966-F969 WeakPolarHBondContact O-CB 3.46Å; E966-F969 PolarHBondContact O-N 2.7Å; E966-F969 VanDerWaalsContact O-N 3.14Å; E966-L970 WeakPolarHBondContact O-CG 3.32Å; E966-L970 PolarHBondContact O-N 2.89Å; E966-F998 HydrophobicContact CG-CE1 3.87Å; E966-F998 HydrophobicContact CG-CZ 4.31Å; E966-I1004 HydrophobicContact CB-CD1 3.91Å; E966-I1004 HydrophobicContact CG-CB 4.34Å; E966-I1004 HydrophobicContact CG-CD1 3.83Å; E966-I1004 HydrophobicContact CG-CG1 4.42Å
967	D	93.7	Very high	85.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-41.5	-179.1	-72.1	-30.2	0	0	0	112.6	I952 Y954 Y962 T963 F969 L970 I971 R1015 L1019	I952-D967 HydrophobicContact CD1-CB 3.69Å; Y954-D967 WeakPolarHBondContact CE1-OD2 3.3Å; Y954-D967 PolarHBondContact OH-OD2 3.32Å; Y962-D967 WeakPolarHBondContact CB-OD1 3.31Å; T963-D967 PolarHBondContact O-N 2.86Å; D967-F969 VanDerWaalsContact C-N 3.32Å; D967-F969 PolarHBondContact O-N 3.44Å; D967-L970 PolarHBondContact O-N 3.17Å; D967-I971 PolarHBondContact O-N 3.42Å; D967-R1015 VanDerWaalsContact CG-NH2 3.26Å; D967-R1015 IonicContact OD1-CZ 3.78Å; D967-R1015 VanDerWaalsContact OD1-CZ 3.32Å; D967-R1015 IonicContact OD1-NE 2.64Å; D967-R1015 PolarHBondContact OD1-NE 3.3Å; D967-R1015 IonicContact OD1-NH2 3.64Å; D967-R1015 PolarHBondContact OD1-NH2 3.08Å; D967-R1015 VanDerWaalsContact OD1-NH2 3.12Å; D967-R1015 IonicContact OD2-CZ 3.68Å; D967-R1015 IonicContact OD2-NE 3.86Å; D967-R1015 IonicContact OD2-NH2 3.44Å; D967-R1015 PolarHBondContact OD2-NH2 3.34Å; D967-L1019 HydrophobicContact CB-CD1 3.74Å; D967-L1019 HydrophobicContact CB-CD2 3.92Å; D967-L1019 HydrophobicContact CB-CG 4.5Å
968	R	93.6	Very high	86.5	Confident	41 Å²	41	51.9 Å²	51.9	16%	0.155	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-45.1	175	-178.7	-171.5	-58.1	160.1	1.8	111.1	P946 F947 H948 L950 E964 E965 E966 C972	P946-R968 WeakPolarHBondContact O-CD 3.44Å; F947-R968 VanDerWaalsContact C-CD 3.48Å; F947-R968 WeakPolarHBondContact O-CD 3.36Å; H948-R968 PolarHBondContact O-NH1 3.16Å; L950-R968 HydrophobicContact CB-CG 4.1Å; L950-R968 HydrophobicContact CD2-CG 4.3Å; L950-R968 PolarHBondContact O-NE 2.63Å; L950-R968 PolarHBondContact O-NH2 2.98Å; E964-R968 WeakPolarHBondContact O-CB 3.2Å; E964-R968 PolarHBondContact O-N 3.44Å; E965-R968 PolarHBondContact O-N 2.83Å; E966-R968 VanDerWaalsContact C-N 3.33Å; E966-R968 PolarHBondContact O-N 3.31Å; R968-C972 WeakPolarHBondContact O-CB 3.22Å; R968-C972 PolarHBondContact O-N 3.48Å; R968-C972 PolarHBondContact O-SG 3.28Å
969	F	94.6	Very high	87.2	Confident	16 Å²	16	48.3 Å²	48.3	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-45.5	178	-178	-90.5	0	0	0	111.6	F947 E965 E966 D967 I971 C972 M973 V992 A995 F998	F947-F969 HydrophobicContact CD1-CD2 4.38Å; F947-F969 HydrophobicContact CE1-CD2 4.28Å; E965-F969 PolarHBondContact O-N 2.85Å; E966-F969 WeakPolarHBondContact O-CB 3.46Å; E966-F969 PolarHBondContact O-N 2.7Å; E966-F969 VanDerWaalsContact O-N 3.14Å; D967-F969 VanDerWaalsContact C-N 3.32Å; D967-F969 PolarHBondContact O-N 3.44Å; F969-I971 PolarHBondContact O-N 3.05Å; F969-C972 PolarHBondContact O-N 3.07Å; F969-M973 HydrophobicContact CD1-CG 4.16Å; F969-M973 HydrophobicContact CE1-CB 4.46Å; F969-M973 HydrophobicContact CE1-CG 3.59Å; F969-M973 HydrophobicContact CE2-CE 4.45Å; F969-M973 HydrophobicContact CE2-CG 4.21Å; F969-M973 HydrophobicContact CZ-CG 3.63Å; F969-M973 WeakPolarHBondContact O-CB 3.46Å; F969-M973 PolarHBondContact O-N 3.36Å; F969-V992 HydrophobicContact CD1-CG2 4.13Å; F969-V992 HydrophobicContact CE1-CG2 3.81Å; F969-A995 HydrophobicContact CE1-CB 4.4Å; F969-A995 HydrophobicContact CE2-CB 3.98Å; F969-A995 HydrophobicContact CZ-CB 3.7Å; F969-F998 HydrophobicContact CB-CE2 3.81Å; F969-F998 HydrophobicContact CB-CZ 3.7Å; F969-F998 AromaticContact CD1-CE2 3.55Å; F969-F998 HydrophobicContact CD1-CE2 3.55Å; F969-F998 HydrophobicContact CD1-CZ 4.32Å; F969-F998 AromaticContact CD2-CE2 3.98Å; F969-F998 HydrophobicContact CD2-CE2 3.98Å; F969-F998 HydrophobicContact CD2-CZ 4.44Å; F969-F998 HydrophobicContact CE1-CE2 4.03Å; F969-F998 HydrophobicContact CE2-CE2 4.41Å; F969-F998 AromaticContact CG-CE2 3.5Å; F969-F998 HydrophobicContact CG-CE2 3.5Å; F969-F998 VanDerWaalsContact CG-CE2 3.5Å; F969-F998 AromaticContact CG-CZ 3.92Å; F969-F998 HydrophobicContact CG-CZ 3.92Å; F969-F998 HydrophobicContact CZ-CE2 4.43Å
970	L	94	Very high	87.7	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-46.4	179.4	-67.2	177.3	0	0	0	111.7	E966 D967 L974 L988 V992 I1004 F1012 R1015	E966-L970 WeakPolarHBondContact O-CG 3.32Å; E966-L970 PolarHBondContact O-N 2.89Å; D967-L970 PolarHBondContact O-N 3.17Å; L970-L974 WeakPolarHBondContact O-CB 3.49Å; L970-L974 PolarHBondContact O-N 3.35Å; L970-L988 HydrophobicContact CD2-CD1 4.21Å; L970-L988 HydrophobicContact CD2-CD2 4.02Å; L970-L988 HydrophobicContact CD2-CG 4.15Å; L970-V992 HydrophobicContact CD2-CG2 3.87Å; L970-I1004 HydrophobicContact CD2-CD1 4.47Å; L970-F1012 HydrophobicContact CD1-CD1 4Å; L970-F1012 HydrophobicContact CD1-CE1 4.32Å; L970-F1012 HydrophobicContact CD2-CD1 3.55Å; L970-F1012 HydrophobicContact CD2-CE1 3.69Å; L970-F1012 HydrophobicContact CD2-CG 4.43Å; L970-F1012 HydrophobicContact CG-CD1 4.45Å; L970-R1015 HydrophobicContact CD1-CB 4.5Å; L970-R1015 HydrophobicContact CD1-CG 3.94Å
971	I	93.6	Very high	88	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-45.7	178.6	-72.9	-60.1	0	0	0	112	L936 L950 I952 D967 F969 L974 H975 L1019 I1023	L936-I971 HydrophobicContact CD2-CD1 4.05Å; L936-I971 HydrophobicContact CD2-CG2 3.99Å; L950-I971 HydrophobicContact CD1-CG2 4.23Å; I952-I971 HydrophobicContact CD1-CG1 4.32Å; D967-I971 PolarHBondContact O-N 3.42Å; F969-I971 PolarHBondContact O-N 3.05Å; I971-L974 PolarHBondContact O-N 2.78Å; I971-H975 PolarHBondContact O-N 3.19Å; I971-L1019 HydrophobicContact CD1-CB 3.63Å; I971-L1019 HydrophobicContact CD1-CD1 4.16Å; I971-L1019 HydrophobicContact CG1-CB 3.96Å; I971-L1019 HydrophobicContact CG1-CD1 3.84Å; I971-I1023 HydrophobicContact CD1-CD1 3.77Å; I971-I1023 HydrophobicContact CG1-CD1 4Å; I971-I1023 HydrophobicContact CG2-CD1 3.98Å
972	C	93.3	Very high	87.6	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-37.6	-179.3	-67.9	0	0	0	0	112.3	F947 R968 F969 K976	F947-C972 HydrophobicContact CD1-CB 3.71Å; F947-C972 HydrophobicContact CD2-CB 4.31Å; F947-C972 HydrophobicContact CE1-CB 3.23Å; F947-C972 HydrophobicContact CE2-CB 3.9Å; F947-C972 HydrophobicContact CG-CB 4.21Å; F947-C972 HydrophobicContact CZ-CB 3.31Å; R968-C972 WeakPolarHBondContact O-CB 3.22Å; R968-C972 PolarHBondContact O-N 3.48Å; R968-C972 PolarHBondContact O-SG 3.28Å; F969-C972 PolarHBondContact O-N 3.07Å; C972-K976 WeakPolarHBondContact O-CB 3.17Å; C972-K976 PolarHBondContact O-N 3.25Å; C972-K976 VanDerWaalsContact O-N 3.09Å
973	M	92.3	Very high	87.4	Confident	22 Å²	22	56.1 Å²	56.1	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-45.1	172.1	-88.8	-46.3	103.4	0	0	111.7	F947 F969 H975 K976 M977 L988 C991	F947-M973 HydrophobicContact CE1-CE 3.27Å; F947-M973 HydrophobicContact CE2-CE 4.28Å; F947-M973 HydrophobicContact CZ-CE 3.1Å; F969-M973 HydrophobicContact CD1-CG 4.16Å; F969-M973 HydrophobicContact CE1-CB 4.46Å; F969-M973 HydrophobicContact CE1-CG 3.59Å; F969-M973 HydrophobicContact CE2-CE 4.45Å; F969-M973 HydrophobicContact CE2-CG 4.21Å; F969-M973 HydrophobicContact CZ-CG 3.63Å; F969-M973 WeakPolarHBondContact O-CB 3.46Å; F969-M973 PolarHBondContact O-N 3.36Å; M973-H975 VanDerWaalsContact C-N 3.27Å; M973-H975 PolarHBondContact O-N 3.43Å; M973-K976 HydrophobicContact CE-CD 4.06Å; M973-K976 PolarHBondContact O-N 3.07Å; M973-K976 VanDerWaalsContact O-N 3.11Å; M973-K976 HydrophobicContact SD-CD 4.4Å; M973-M977 HydrophobicContact CB-SD 4.19Å; M973-M977 WeakPolarHBondContact O-CB 3.46Å; M973-M977 WeakPolarHBondContact O-CG 3.43Å; M973-M977 PolarHBondContact O-N 3.49Å; M973-L988 HydrophobicContact CB-CD1 3.36Å; M973-L988 HydrophobicContact CG-CD1 4.16Å; M973-C991 HydrophobicContact CG-CB 4.2Å; M973-C991 HydrophobicContact SD-CB 4.4Å
974	L	91.7	Very high	87.2	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.7	-40.7	-179.9	-174	67.9	0	0	0	111.8	L936 L970 I971 G978 F979 V984 Y985 C1016 I1020	L936-L974 HydrophobicContact CD1-CD2 4.43Å; L970-L974 WeakPolarHBondContact O-CB 3.49Å; L970-L974 PolarHBondContact O-N 3.35Å; I971-L974 PolarHBondContact O-N 2.78Å; L974-G978 PolarHBondContact O-N 3.31Å; L974-F979 HydrophobicContact CD1-CD2 4.16Å; L974-F979 HydrophobicContact CD2-CD2 4.13Å; L974-F979 HydrophobicContact CG-CD2 4.31Å; L974-V984 HydrophobicContact CD1-CG1 4.4Å; L974-V984 HydrophobicContact CD1-CG2 3.88Å; L974-Y985 HydrophobicContact CD1-CE1 3.94Å; L974-C1016 HydrophobicContact CD2-CB 3.82Å; L974-I1020 HydrophobicContact CD2-CD1 3.95Å
975	H	91	Very high	87.4	Confident	63 Å²	63	51.5 Å²	51.5	29%	0.292	24%	0.242	S	C	.	.	H	α-helix	trans	-65.1	-47.7	173	176.3	-100.9	0	0	0	112.6	D937 I940 I971 M973 M977 G978	D937-H975 IonicContact OD1-CD2 3.91Å; D937-H975 PolarHBondContact OD1-CD2 3Å; D937-H975 IonicContact OD1-CE1 3.58Å; D937-H975 IonicContact OD1-NE2 2.94Å; D937-H975 PolarHBondContact OD1-NE2 3.26Å; I940-H975 HydrophobicContact CD1-CB 3.2Å; I940-H975 VanDerWaalsContact CD1-ND1 3.3Å; I940-H975 WeakPolarHBondContact CD1-ND1 3.47Å; I971-H975 PolarHBondContact O-N 3.19Å; M973-H975 VanDerWaalsContact C-N 3.27Å; M973-H975 PolarHBondContact O-N 3.43Å; H975-M977 VanDerWaalsContact C-N 3.28Å; H975-M977 PolarHBondContact O-N 3.31Å; H975-G978 PolarHBondContact O-N 2.81Å
976	K	88.7	Confident	87.4	Confident	157 Å²	157	49.9 Å²	49.9	68%	0.683	23%	0.234	S	C	*	.	H	α-helix	trans	-60.9	-36.3	-178.7	-174.5	179.6	179.7	-177	0	112.8	C972 M973	C972-K976 WeakPolarHBondContact O-CB 3.17Å; C972-K976 PolarHBondContact O-N 3.25Å; C972-K976 VanDerWaalsContact O-N 3.09Å; M973-K976 HydrophobicContact CE-CD 4.06Å; M973-K976 PolarHBondContact O-N 3.07Å; M973-K976 VanDerWaalsContact O-N 3.11Å; M973-K976 HydrophobicContact SD-CD 4.4Å
977	M	86.8	Confident	87.2	Confident	23 Å²	23	52.8 Å²	52.8	11%	0.113	25%	0.248	C	C	.	.	H	α-helix	trans	-83.9	-22.5	-176.2	-63.9	169.3	68.5	0	0	113.1	M973 H975 R981 V984 E987 L988	M973-M977 HydrophobicContact CB-SD 4.19Å; M973-M977 WeakPolarHBondContact O-CB 3.46Å; M973-M977 WeakPolarHBondContact O-CG 3.43Å; M973-M977 PolarHBondContact O-N 3.49Å; H975-M977 VanDerWaalsContact C-N 3.28Å; H975-M977 PolarHBondContact O-N 3.31Å; M977-R981 PolarHBondContact O-NE 3.03Å; M977-V984 HydrophobicContact CB-CG2 4.19Å; M977-E987 HydrophobicContact CE-CB 3.1Å; M977-E987 HydrophobicContact CE-CG 4.24Å; M977-E987 WeakPolarHBondContact CE-OE2 3.23Å; M977-L988 HydrophobicContact SD-CB 4.46Å; M977-L988 HydrophobicContact SD-CD1 4.38Å
978	G	82.9	Confident	87.2	Confident	18 Å²	18	52.8 Å²	52.8	19%	0.186	25%	0.248	C	C	.	.			trans	85.3	128.6	-172.7	0	0	0	0	0	111.6	L974 H975 D980 V984	L974-G978 PolarHBondContact O-N 3.31Å; H975-G978 PolarHBondContact O-N 2.81Å; G978-D980 PolarHBondContact O-N 3.47Å; G978-V984 WeakPolarHBondContact O-CG2 3.28Å
979	F	75.7	Confident	87.1	Confident	47 Å²	47	53.2 Å²	53.2	21%	0.206	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.5	-179.8	-176.4	-93.4	0	0	0	113.4	R929 I932 L974 Y985 I1020	R929-F979 HydrophobicContact CG-CD1 4.2Å; R929-F979 HydrophobicContact CG-CE1 4.18Å; I932-F979 HydrophobicContact CD1-CD1 4.34Å; I932-F979 HydrophobicContact CD1-CE1 3.65Å; I932-F979 HydrophobicContact CD1-CE2 4Å; I932-F979 HydrophobicContact CD1-CZ 3.46Å; I932-F979 VanDerWaalsContact CD1-CZ 3.46Å; I932-F979 HydrophobicContact CG2-CD1 4.3Å; I932-F979 HydrophobicContact CG2-CD2 3.98Å; I932-F979 HydrophobicContact CG2-CE2 4.24Å; I932-F979 HydrophobicContact CG2-CG 4.02Å; L974-F979 HydrophobicContact CD1-CD2 4.16Å; L974-F979 HydrophobicContact CD2-CD2 4.13Å; L974-F979 HydrophobicContact CG-CD2 4.31Å; F979-Y985 WeakPolarHBondContact CE2-OH 3.19Å; F979-I1020 HydrophobicContact CD2-CD1 4.37Å; F979-I1020 HydrophobicContact CE2-CD1 3.96Å
980	D	71	Confident	86.9	Confident	112 Å²	112	57.7 Å²	57.7	60%	0.599	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.1	-170.3	58.1	-22	0	0	0	114.7	G978	G978-D980 PolarHBondContact O-N 3.47Å
981	R	75.3	Confident	86.8	Confident	136 Å²	136	59.7 Å²	59.7	51%	0.513	28%	0.284	S	S	.	.			trans	-81.5	134.2	-179.1	-58.4	-176.9	-177.3	-171.5	-0.1	112	M977 N983 V984 E987	M977-R981 PolarHBondContact O-NE 3.03Å; R981-N983 PolarHBondContact O-N 3.27Å; R981-N983 VanDerWaalsContact O-N 3.17Å; R981-V984 HydrophobicContact CB-CB 4.31Å; R981-V984 WeakPolarHBondContact O-CB 3.46Å; R981-V984 PolarHBondContact O-N 3.36Å; R981-V984 VanDerWaalsContact O-N 3.16Å; R981-E987 IonicContact NH1-OE2 2.8Å
982	E	73.5	Confident	86.8	Confident	191 Å²	191	59.7 Å²	59.7	89%	0.893	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.7	-179.6	-67.5	-174	160.8	0	0	113.2
983	N	82.3	Confident	86.7	Confident	114 Å²	114	64.9 Å²	64.9	61%	0.61	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	17.1	-177.2	-67.8	-24.6	0	0	0	114.3	R981 Y985 E986 E987	R981-N983 PolarHBondContact O-N 3.27Å; R981-N983 VanDerWaalsContact O-N 3.17Å; N983-Y985 PolarHBondContact O-N 2.96Å; N983-Y985 VanDerWaalsContact O-N 3.09Å; N983-E986 PolarHBondContact O-N 2.86Å; N983-E987 PolarHBondContact O-N 3Å; N983-E987 VanDerWaalsContact O-N 3.1Å
984	V	86.6	Confident	86.6	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.012	33%	0.332	C	S	.	.	H	α-helix	trans	-53.8	-37.6	-172.8	69.2	0	0	0	0	113.3	L974 M977 G978 R981 L988	L974-V984 HydrophobicContact CD1-CG1 4.4Å; L974-V984 HydrophobicContact CD1-CG2 3.88Å; M977-V984 HydrophobicContact CB-CG2 4.19Å; G978-V984 WeakPolarHBondContact O-CG2 3.28Å; R981-V984 HydrophobicContact CB-CB 4.31Å; R981-V984 WeakPolarHBondContact O-CB 3.46Å; R981-V984 PolarHBondContact O-N 3.36Å; R981-V984 VanDerWaalsContact O-N 3.16Å; V984-L988 VanDerWaalsContact O-CB 3.25Å; V984-L988 WeakPolarHBondContact O-CB 3.46Å; V984-L988 PolarHBondContact O-N 2.6Å
985	Y	91.4	Very high	86.6	Confident	22 Å²	22	70.5 Å²	70.5	9%	0.086	34%	0.335	C	S	.	.	H	α-helix	trans	-78.5	-25.9	-177.3	-60.8	-69.3	0	0	0	113.8	L974 F979 N983 L988 R989 Q1013 C1016	L974-Y985 HydrophobicContact CD1-CE1 3.94Å; F979-Y985 WeakPolarHBondContact CE2-OH 3.19Å; N983-Y985 PolarHBondContact O-N 2.96Å; N983-Y985 VanDerWaalsContact O-N 3.09Å; Y985-L988 HydrophobicContact CD1-CD2 4.16Å; Y985-R989 WeakPolarHBondContact O-CB 3.35Å; Y985-R989 PolarHBondContact O-N 3.44Å; Y985-Q1013 HydrophobicContact CD1-CB 3.95Å; Y985-Q1013 HydrophobicContact CD2-CB 3.82Å; Y985-Q1013 HydrophobicContact CD2-CG 3.95Å; Y985-Q1013 HydrophobicContact CE1-CB 3.96Å; Y985-Q1013 HydrophobicContact CE1-CG 4.24Å; Y985-Q1013 HydrophobicContact CE2-CB 3.82Å; Y985-Q1013 HydrophobicContact CE2-CG 3.5Å; Y985-Q1013 HydrophobicContact CG-CB 3.86Å; Y985-Q1013 HydrophobicContact CG-CG 4.47Å; Y985-C1016 HydrophobicContact CE1-CB 3.92Å
986	E	90.4	Very high	86.5	Confident	74 Å²	74	72.7 Å²	72.7	35%	0.346	36%	0.355	S	S	.	.	H	α-helix	trans	-76	-39.8	173.4	-162.8	63.5	-147.9	0	0	110.1	N983 L988 R989 Q990 A1009	N983-E986 PolarHBondContact O-N 2.86Å; E986-L988 VanDerWaalsContact C-N 3.35Å; E986-R989 WeakPolarHBondContact O-CB 3.34Å; E986-R989 PolarHBondContact O-N 3.07Å; E986-R989 IonicContact OE1-CZ 3.08Å; E986-R989 IonicContact OE1-NH1 2.72Å; E986-R989 PolarHBondContact OE1-NH1 3.03Å; E986-Q990 PolarHBondContact O-N 2.87Å; E986-Q990 VanDerWaalsContact O-N 3.09Å; E986-A1009 WeakPolarHBondContact OE2-CB 3.47Å
987	E	89.9	Confident	86.5	Confident	68 Å²	68	69.9 Å²	69.9	32%	0.318	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-42.3	170.1	-66.1	-177.5	-167.3	0	0	110.8	M977 R981 N983 R989 Q990 C991	M977-E987 HydrophobicContact CE-CB 3.1Å; M977-E987 HydrophobicContact CE-CG 4.24Å; M977-E987 WeakPolarHBondContact CE-OE2 3.23Å; R981-E987 IonicContact NH1-OE2 2.8Å; N983-E987 PolarHBondContact O-N 3Å; N983-E987 VanDerWaalsContact O-N 3.1Å; E987-R989 VanDerWaalsContact C-N 3.26Å; E987-R989 PolarHBondContact O-N 3.39Å; E987-Q990 WeakPolarHBondContact O-CA 2.98Å; E987-Q990 WeakPolarHBondContact O-CB 3.2Å; E987-Q990 PolarHBondContact O-N 2.93Å; E987-C991 PolarHBondContact O-N 3.06Å; E987-C991 PolarHBondContact O-SG 2.83Å; E987-C991 VanDerWaalsContact O-SG 3.41Å
988	L	92.1	Very high	86.8	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-40.5	177.4	179.7	62.7	0	0	0	111	L970 M973 M977 V984 Y985 E986 C991 V992 F1012	L970-L988 HydrophobicContact CD2-CD1 4.21Å; L970-L988 HydrophobicContact CD2-CD2 4.02Å; L970-L988 HydrophobicContact CD2-CG 4.15Å; M973-L988 HydrophobicContact CB-CD1 3.36Å; M973-L988 HydrophobicContact CG-CD1 4.16Å; M977-L988 HydrophobicContact SD-CB 4.46Å; M977-L988 HydrophobicContact SD-CD1 4.38Å; V984-L988 VanDerWaalsContact O-CB 3.25Å; V984-L988 WeakPolarHBondContact O-CB 3.46Å; V984-L988 PolarHBondContact O-N 2.6Å; Y985-L988 HydrophobicContact CD1-CD2 4.16Å; E986-L988 VanDerWaalsContact C-N 3.35Å; L988-C991 WeakPolarHBondContact O-CB 3.37Å; L988-C991 PolarHBondContact O-N 2.9Å; L988-V992 WeakPolarHBondContact O-CG2 3.42Å; L988-V992 PolarHBondContact O-N 3.33Å; L988-F1012 HydrophobicContact CD2-CB 4.22Å
989	R	92.3	Very high	87	Confident	50 Å²	50	76.1 Å²	76.1	19%	0.189	36%	0.361	C	S	.	.	H	α-helix	trans	-61.8	-41.4	174.4	178.7	179.4	-171.6	-142.7	7.2	112.1	Y985 E986 E987 V992 R993 R1007 F1012	Y985-R989 WeakPolarHBondContact O-CB 3.35Å; Y985-R989 PolarHBondContact O-N 3.44Å; E986-R989 WeakPolarHBondContact O-CB 3.34Å; E986-R989 PolarHBondContact O-N 3.07Å; E986-R989 IonicContact OE1-CZ 3.08Å; E986-R989 IonicContact OE1-NH1 2.72Å; E986-R989 PolarHBondContact OE1-NH1 3.03Å; E987-R989 VanDerWaalsContact C-N 3.26Å; E987-R989 PolarHBondContact O-N 3.39Å; R989-V992 PolarHBondContact O-N 2.98Å; R989-R993 WeakPolarHBondContact O-CG 3.46Å; R989-R993 PolarHBondContact O-N 3.05Å; R989-R993 VanDerWaalsContact O-N 3.08Å; R989-R1007 PolarHBondContact NE-O 3.19Å; R989-R1007 VanDerWaalsContact NE-O 3.16Å; R989-F1012 HydrophobicContact CB-CD2 3.95Å; R989-F1012 HydrophobicContact CB-CE2 3.87Å; R989-F1012 HydrophobicContact CG-CD2 4.4Å; R989-F1012 HydrophobicContact CG-CE2 3.97Å
990	Q	90.9	Very high	87.6	Confident	110 Å²	110	82 Å²	82	51%	0.514	39%	0.387	S	S	.	.	H	α-helix	trans	-64.4	-41.8	173.5	-67	178.9	9	0	0	111.5	E986 E987 V992 R993 N994	E986-Q990 PolarHBondContact O-N 2.87Å; E986-Q990 VanDerWaalsContact O-N 3.09Å; E987-Q990 WeakPolarHBondContact O-CA 2.98Å; E987-Q990 WeakPolarHBondContact O-CB 3.2Å; E987-Q990 PolarHBondContact O-N 2.93Å; Q990-V992 PolarHBondContact O-N 3.21Å; Q990-R993 PolarHBondContact O-N 3.46Å; Q990-N994 WeakPolarHBondContact O-CB 3.48Å; Q990-N994 PolarHBondContact O-N 3.24Å; Q990-N994 PolarHBondContact O-ND2 3.12Å
991	C	91.8	Very high	88.4	Confident	42 Å²	42	78.4 Å²	78.4	28%	0.284	37%	0.368	S	S	.	.	H	α-helix	trans	-59.4	-43.9	175.1	-68.1	0	0	0	0	112.1	M973 E987 L988 N994 A995	M973-C991 HydrophobicContact CG-CB 4.2Å; M973-C991 HydrophobicContact SD-CB 4.4Å; E987-C991 PolarHBondContact O-N 3.06Å; E987-C991 PolarHBondContact O-SG 2.83Å; E987-C991 VanDerWaalsContact O-SG 3.41Å; L988-C991 WeakPolarHBondContact O-CB 3.37Å; L988-C991 PolarHBondContact O-N 2.9Å; C991-N994 PolarHBondContact O-N 3.33Å; C991-A995 WeakPolarHBondContact O-CB 3.43Å; C991-A995 PolarHBondContact O-N 2.94Å
992	V	93	Very high	88.9	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-61.8	-43.2	176	169.9	0	0	0	0	111.5	F969 L970 L988 R989 Q990 N994 A995 F998 I1004 F1012	F969-V992 HydrophobicContact CD1-CG2 4.13Å; F969-V992 HydrophobicContact CE1-CG2 3.81Å; L970-V992 HydrophobicContact CD2-CG2 3.87Å; L988-V992 WeakPolarHBondContact O-CG2 3.42Å; L988-V992 PolarHBondContact O-N 3.33Å; R989-V992 PolarHBondContact O-N 2.98Å; Q990-V992 PolarHBondContact O-N 3.21Å; V992-N994 VanDerWaalsContact C-N 3.28Å; V992-N994 PolarHBondContact O-N 3.39Å; V992-A995 PolarHBondContact O-N 3.29Å; V992-F998 HydrophobicContact CG1-CD2 4.19Å; V992-I1004 HydrophobicContact CG1-CB 4.35Å; V992-I1004 HydrophobicContact CG1-CD1 3.77Å; V992-I1004 HydrophobicContact CG1-CG1 3.81Å; V992-I1004 HydrophobicContact CG1-CG2 3.85Å; V992-I1004 HydrophobicContact CG2-CD1 4.2Å; V992-F1012 HydrophobicContact CB-CZ 4.11Å; V992-F1012 HydrophobicContact CG1-CZ 3.95Å; V992-F1012 HydrophobicContact CG2-CE1 4.19Å; V992-F1012 HydrophobicContact CG2-CE2 4.46Å; V992-F1012 HydrophobicContact CG2-CZ 3.9Å
993	R	90.3	Very high	89.7	Confident	111 Å²	111	75.8 Å²	75.8	42%	0.419	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-36.4	179	-76.3	174.7	169.7	-178.5	-6.6	112.9	R989 Q990 K1005	R989-R993 WeakPolarHBondContact O-CG 3.46Å; R989-R993 PolarHBondContact O-N 3.05Å; R989-R993 VanDerWaalsContact O-N 3.08Å; Q990-R993 PolarHBondContact O-N 3.46Å; R993-K1005 VanDerWaalsContact O-CE 3.29Å; R993-K1005 WeakPolarHBondContact O-CE 3.4Å
994	N	91.5	Very high	90.1	Very high	132 Å²	132	70.3 Å²	70.3	71%	0.706	32%	0.323	S	S	*	.	H	α-helix	trans	-88.4	-10.1	-178.1	-65.3	-18.9	0	0	0	113.4	Q990 C991 V992 P996	Q990-N994 WeakPolarHBondContact O-CB 3.48Å; Q990-N994 PolarHBondContact O-N 3.24Å; Q990-N994 PolarHBondContact O-ND2 3.12Å; C991-N994 PolarHBondContact O-N 3.33Å; V992-N994 VanDerWaalsContact C-N 3.28Å; V992-N994 PolarHBondContact O-N 3.39Å; N994-P996 WeakPolarHBondContact O-CD 3.33Å
995	A	90.6	Very high	90.2	Very high	8 Å²	8	72.2 Å²	72.2	7%	0.066	33%	0.331	C	S	.	.			trans	-68.7	121.2	-179.6	0	0	0	0	0	111.4	F969 C991 V992 Q997 F998	F969-A995 HydrophobicContact CE1-CB 4.4Å; F969-A995 HydrophobicContact CE2-CB 3.98Å; F969-A995 HydrophobicContact CZ-CB 3.7Å; C991-A995 WeakPolarHBondContact O-CB 3.43Å; C991-A995 PolarHBondContact O-N 2.94Å; V992-A995 PolarHBondContact O-N 3.29Å; A995-Q997 VanDerWaalsContact C-N 3.33Å; A995-Q997 PolarHBondContact O-N 3.01Å; A995-F998 HydrophobicContact CB-CD2 3.72Å; A995-F998 HydrophobicContact CB-CE2 4.31Å; A995-F998 PolarHBondContact O-N 3.13Å
996	P	89.4	Confident	90.1	Very high	110 Å²	110	74 Å²	74	71%	0.714	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-60.5	-36.3	-178.4	-26	35.4	0	0	0	114.1	N994 F998 R999	N994-P996 WeakPolarHBondContact O-CD 3.33Å; P996-F998 PolarHBondContact O-N 3.1Å; P996-R999 VanDerWaalsContact O-CB 3.24Å; P996-R999 WeakPolarHBondContact O-CB 3.47Å; P996-R999 PolarHBondContact O-N 3.32Å
997	Q	89.4	Confident	90	Very high	98 Å²	98	73 Å²	73	46%	0.458	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-63.8	-26.6	179.6	62.4	-100.9	39.2	0	0	113.3	A995 R999	A995-Q997 VanDerWaalsContact C-N 3.33Å; A995-Q997 PolarHBondContact O-N 3.01Å; Q997-R999 VanDerWaalsContact C-N 3.32Å
998	F	92.2	Very high	90.1	Very high	5 Å²	5	70.8 Å²	70.8	2%	0.022	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-95.3	18.6	177.2	-55	-44.7	0	0	0	112.3	E965 E966 F969 V992 A995 P996 F1000 D1001 I1004 K1005	E965-F998 HydrophobicContact CG-CE1 4.48Å; E966-F998 HydrophobicContact CG-CE1 3.87Å; E966-F998 HydrophobicContact CG-CZ 4.31Å; F969-F998 HydrophobicContact CB-CE2 3.81Å; F969-F998 HydrophobicContact CB-CZ 3.7Å; F969-F998 AromaticContact CD1-CE2 3.55Å; F969-F998 HydrophobicContact CD1-CE2 3.55Å; F969-F998 HydrophobicContact CD1-CZ 4.32Å; F969-F998 AromaticContact CD2-CE2 3.98Å; F969-F998 HydrophobicContact CD2-CE2 3.98Å; F969-F998 HydrophobicContact CD2-CZ 4.44Å; F969-F998 HydrophobicContact CE1-CE2 4.03Å; F969-F998 HydrophobicContact CE2-CE2 4.41Å; F969-F998 AromaticContact CG-CE2 3.5Å; F969-F998 HydrophobicContact CG-CE2 3.5Å; F969-F998 VanDerWaalsContact CG-CE2 3.5Å; F969-F998 AromaticContact CG-CZ 3.92Å; F969-F998 HydrophobicContact CG-CZ 3.92Å; F969-F998 HydrophobicContact CZ-CE2 4.43Å; V992-F998 HydrophobicContact CG1-CD2 4.19Å; A995-F998 HydrophobicContact CB-CD2 3.72Å; A995-F998 HydrophobicContact CB-CE2 4.31Å; A995-F998 PolarHBondContact O-N 3.13Å; P996-F998 PolarHBondContact O-N 3.1Å; F998-F1000 PolarHBondContact O-N 3.17Å; F998-F1000 VanDerWaalsContact O-N 3.16Å; F998-D1001 HydrophobicContact CB-CB 4.1Å; F998-D1001 HydrophobicContact CD1-CB 4.29Å; F998-D1001 PolarHBondContact O-N 3.49Å; F998-D1001 VanDerWaalsContact O-N 3.14Å; F998-I1004 HydrophobicContact CB-CG2 3.84Å; F998-I1004 HydrophobicContact CD1-CG2 4.08Å; F998-I1004 HydrophobicContact CD2-CD1 4.26Å; F998-I1004 HydrophobicContact CD2-CG2 4.22Å; F998-I1004 HydrophobicContact CE2-CD1 4.06Å; F998-I1004 HydrophobicContact CG-CG2 3.79Å; F998-I1004 HydrophobicContact CZ-CD1 4.27Å; F998-K1005 WeakPolarHBondContact O-CD 3.31Å; F998-K1005 WeakPolarHBondContact O-CE 3.24Å; F998-K1005 PolarHBondContact O-NZ 3.16Å
999	R	86.6	Confident	90	Very high	166 Å²	166	71.5 Å²	71.5	63%	0.626	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-46.7	-176.9	-178.9	173.5	-179.7	86.3	0.6	112	P996 Q997 K1005	P996-R999 VanDerWaalsContact O-CB 3.24Å; P996-R999 WeakPolarHBondContact O-CB 3.47Å; P996-R999 PolarHBondContact O-N 3.32Å; Q997-R999 VanDerWaalsContact C-N 3.32Å; R999-K1005 PolarHBondContact O-NZ 2.84Å
1000	F	88.2	Confident	89.8	Confident	170 Å²	170	73 Å²	73	75%	0.746	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	3.3	-177.7	-56.3	-64.1	0	0	0	114	F998 W1002	F998-F1000 PolarHBondContact O-N 3.17Å; F998-F1000 VanDerWaalsContact O-N 3.16Å; F1000-W1002 PolarHBondContact O-N 2.85Å; F1000-W1002 VanDerWaalsContact O-N 3.17Å
1001	D	87.8	Confident	89.8	Confident	37 Å²	37	69.1 Å²	69.1	20%	0.198	33%	0.329	C	S	.	.			trans	-86.2	86.9	176.6	-173.7	-13.1	0	0	0	110.1	F998 F1003 I1004 K1005	F998-D1001 HydrophobicContact CB-CB 4.1Å; F998-D1001 HydrophobicContact CD1-CB 4.29Å; F998-D1001 PolarHBondContact O-N 3.49Å; F998-D1001 VanDerWaalsContact O-N 3.14Å; D1001-F1003 PolarHBondContact O-N 3.34Å; D1001-F1003 WeakPolarHBondContact OD1-CB 3.35Å; D1001-F1003 PolarHBondContact OD1-N 2.81Å; D1001-F1003 VanDerWaalsContact OD1-N 3.08Å; D1001-I1004 HydrophobicContact CB-CG2 3.93Å; D1001-I1004 VanDerWaalsContact CG-CG2 3.47Å; D1001-I1004 PolarHBondContact OD1-N 2.85Å; D1001-I1004 WeakPolarHBondContact OD2-CG2 3.39Å; D1001-K1005 WeakPolarHBondContact O-CB 3.42Å; D1001-K1005 WeakPolarHBondContact O-CG 3.48Å; D1001-K1005 PolarHBondContact O-N 2.99Å
1002	W	86.7	Confident	89.8	Confident	200 Å²	200	67.2 Å²	67.2	76%	0.758	32%	0.316	S	S	*	.	H	α-helix	trans	-68	-25.8	176.4	-80	111.2	0	0	0	113	F1000 S1006	F1000-W1002 PolarHBondContact O-N 2.85Å; F1000-W1002 VanDerWaalsContact O-N 3.17Å; W1002-S1006 WeakPolarHBondContact O-CB 3.48Å; W1002-S1006 PolarHBondContact O-N 3.22Å; W1002-S1006 PolarHBondContact O-OG 2.9Å
1003	F	89.9	Confident	89.7	Confident	72 Å²	72	71 Å²	71	32%	0.316	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-53.9	-179.2	170.2	-97.9	0	0	0	110	N961 Y962 D1001 S1006 R1007	N961-F1003 HydrophobicContact CB-CZ 3.89Å; N961-F1003 WeakPolarHBondContact O-CE1 3.31Å; N961-F1003 VanDerWaalsContact O-CZ 3.26Å; N961-F1003 WeakPolarHBondContact O-CZ 3.5Å; Y962-F1003 AromaticContact CD1-CE1 3.91Å; Y962-F1003 HydrophobicContact CD1-CE1 3.91Å; Y962-F1003 AromaticContact CE1-CE1 3.95Å; Y962-F1003 HydrophobicContact CE1-CE1 3.95Å; Y962-F1003 HydrophobicContact CE1-CZ 4.42Å; Y962-F1003 HydrophobicContact CE2-CZ 4.4Å; Y962-F1003 HydrophobicContact CG-CE1 4.23Å; D1001-F1003 PolarHBondContact O-N 3.34Å; D1001-F1003 WeakPolarHBondContact OD1-CB 3.35Å; D1001-F1003 PolarHBondContact OD1-N 2.81Å; D1001-F1003 VanDerWaalsContact OD1-N 3.08Å; F1003-S1006 PolarHBondContact O-OG 3.5Å; F1003-R1007 PolarHBondContact O-NE 3.36Å; F1003-R1007 VanDerWaalsContact O-NE 3.13Å
1004	I	91.9	Very high	89.6	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-70.1	-38.2	179.5	-158.7	-173.6	0	0	0	111.7	E966 L970 V992 F998 D1001 S1006 R1007 F1012	E966-I1004 HydrophobicContact CB-CD1 3.91Å; E966-I1004 HydrophobicContact CG-CB 4.34Å; E966-I1004 HydrophobicContact CG-CD1 3.83Å; E966-I1004 HydrophobicContact CG-CG1 4.42Å; L970-I1004 HydrophobicContact CD2-CD1 4.47Å; V992-I1004 HydrophobicContact CG1-CB 4.35Å; V992-I1004 HydrophobicContact CG1-CD1 3.77Å; V992-I1004 HydrophobicContact CG1-CG1 3.81Å; V992-I1004 HydrophobicContact CG1-CG2 3.85Å; V992-I1004 HydrophobicContact CG2-CD1 4.2Å; F998-I1004 HydrophobicContact CB-CG2 3.84Å; F998-I1004 HydrophobicContact CD1-CG2 4.08Å; F998-I1004 HydrophobicContact CD2-CD1 4.26Å; F998-I1004 HydrophobicContact CD2-CG2 4.22Å; F998-I1004 HydrophobicContact CE2-CD1 4.06Å; F998-I1004 HydrophobicContact CG-CG2 3.79Å; F998-I1004 HydrophobicContact CZ-CD1 4.27Å; D1001-I1004 HydrophobicContact CB-CG2 3.93Å; D1001-I1004 VanDerWaalsContact CG-CG2 3.47Å; D1001-I1004 PolarHBondContact OD1-N 2.85Å; D1001-I1004 WeakPolarHBondContact OD2-CG2 3.39Å; I1004-S1006 VanDerWaalsContact C-N 3.29Å; I1004-S1006 PolarHBondContact O-N 2.8Å; I1004-R1007 WeakPolarHBondContact O-CB 3.45Å; I1004-R1007 PolarHBondContact O-N 3.24Å; I1004-F1012 HydrophobicContact CD1-CE1 4.2Å; I1004-F1012 HydrophobicContact CG1-CE1 3.75Å; I1004-F1012 HydrophobicContact CG1-CZ 4.02Å; I1004-F1012 WeakPolarHBondContact O-CZ 3.37Å
1005	K	88.9	Confident	89.6	Confident	42 Å²	42	65.5 Å²	65.5	18%	0.183	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-26	-179.1	-79	-176.8	164.1	179.3	0	114.8	R993 F998 R999 D1001 R1007	R993-K1005 VanDerWaalsContact O-CE 3.29Å; R993-K1005 WeakPolarHBondContact O-CE 3.4Å; F998-K1005 WeakPolarHBondContact O-CD 3.31Å; F998-K1005 WeakPolarHBondContact O-CE 3.24Å; F998-K1005 PolarHBondContact O-NZ 3.16Å; R999-K1005 PolarHBondContact O-NZ 2.84Å; D1001-K1005 WeakPolarHBondContact O-CB 3.42Å; D1001-K1005 WeakPolarHBondContact O-CG 3.48Å; D1001-K1005 PolarHBondContact O-N 2.99Å; K1005-R1007 VanDerWaalsContact C-N 3.32Å
1006	S	88.4	Confident	89.6	Confident	59 Å²	59	65.1 Å²	65.1	41%	0.413	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.5	177.8	61.5	0	0	0	0	113.4	W1002 F1003 I1004	W1002-S1006 WeakPolarHBondContact O-CB 3.48Å; W1002-S1006 PolarHBondContact O-N 3.22Å; W1002-S1006 PolarHBondContact O-OG 2.9Å; F1003-S1006 PolarHBondContact O-OG 3.5Å; I1004-S1006 VanDerWaalsContact C-N 3.29Å; I1004-S1006 PolarHBondContact O-N 2.8Å
1007	R	89.3	Confident	89.7	Confident	52 Å²	52	62.9 Å²	62.9	20%	0.196	28%	0.282	C	S	.	.			trans	-67.2	150.7	-176.6	-58.9	-58.5	92.6	-150.2	8.2	112.8	R989 F1003 I1004 K1005 E1011 F1012	R989-R1007 PolarHBondContact NE-O 3.19Å; R989-R1007 VanDerWaalsContact NE-O 3.16Å; F1003-R1007 PolarHBondContact O-NE 3.36Å; F1003-R1007 VanDerWaalsContact O-NE 3.13Å; I1004-R1007 WeakPolarHBondContact O-CB 3.45Å; I1004-R1007 PolarHBondContact O-N 3.24Å; K1005-R1007 VanDerWaalsContact C-N 3.32Å; R1007-E1011 WeakPolarHBondContact CA-OE2 3.47Å; R1007-E1011 HydrophobicContact CB-CB 4.27Å; R1007-E1011 VanDerWaalsContact CD-OE2 3.28Å; R1007-E1011 WeakPolarHBondContact CD-OE2 3.39Å; R1007-E1011 IonicContact CZ-OE1 3.66Å; R1007-E1011 IonicContact CZ-OE2 3.9Å; R1007-E1011 IonicContact NE-OE2 3.27Å; R1007-E1011 IonicContact NH1-OE1 3.97Å; R1007-E1011 PolarHBondContact NH1-OE1 2.74Å; R1007-E1011 IonicContact NH1-OE2 3.78Å; R1007-E1011 PolarHBondContact NH1-OE2 3.02Å; R1007-F1012 HydrophobicContact CB-CD1 4.47Å; R1007-F1012 HydrophobicContact CB-CD2 4.4Å; R1007-F1012 HydrophobicContact CB-CE1 3.97Å; R1007-F1012 HydrophobicContact CB-CE2 3.9Å; R1007-F1012 HydrophobicContact CB-CZ 3.67Å; R1007-F1012 HydrophobicContact CG-CE1 4.32Å; R1007-F1012 HydrophobicContact CG-CZ 4.35Å
1008	T	91.3	Very high	89.7	Confident	22 Å²	22	61.3 Å²	61.3	14%	0.135	28%	0.279	C	S	.	.			trans	-91.3	163.4	175.7	76.1	0	0	0	0	111.3	E752 M1010 E1011 F1012	E752-T1008 HydrophobicContact CB-CG2 4.3Å; E752-T1008 PolarHBondContact OE1-OG1 2.9Å; E752-T1008 WeakPolarHBondContact OE2-CB 3.43Å; E752-T1008 WeakPolarHBondContact OE2-CG2 3.37Å; E752-T1008 PolarHBondContact OE2-OG1 3.41Å; T1008-M1010 PolarHBondContact O-N 2.89Å; T1008-E1011 PolarHBondContact N-OE2 2.71Å; T1008-E1011 PolarHBondContact O-N 2.97Å; T1008-E1011 VanDerWaalsContact O-N 3.15Å; T1008-E1011 PolarHBondContact OG1-N 3.19Å; T1008-F1012 WeakPolarHBondContact O-CD2 3.45Å; T1008-F1012 PolarHBondContact O-N 3.01Å
1009	A	89.4	Confident	89.7	Confident	16 Å²	16	61 Å²	61	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-34.3	176.8	0	0	0	0	0	112.3	E986 F1012 Q1013	E986-A1009 WeakPolarHBondContact OE2-CB 3.47Å; A1009-F1012 PolarHBondContact O-N 3.38Å; A1009-Q1013 WeakPolarHBondContact O-CB 3.4Å; A1009-Q1013 PolarHBondContact O-N 2.88Å
1010	M	88.4	Confident	89.9	Confident	82 Å²	82	53.2 Å²	53.2	40%	0.404	25%	0.248	S	C	.	.	H	α-helix	trans	-69.1	-35	176.8	-170.9	162.5	56.4	0	0	112	E752 T1008 Q1013 R1014	E752-M1010 WeakPolarHBondContact OE1-CE 3.5Å; T1008-M1010 PolarHBondContact O-N 2.89Å; M1010-Q1013 WeakPolarHBondContact O-CB 3.21Å; M1010-Q1013 PolarHBondContact O-N 3.22Å; M1010-R1014 WeakPolarHBondContact O-CG 3.47Å; M1010-R1014 PolarHBondContact O-N 3.06Å
1011	E	89.7	Confident	90	Very high	28 Å²	28	48.3 Å²	48.3	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-42.4	173.1	-67.6	-179.7	130.9	0	0	111.9	R1007 T1008 Q1013 R1014 R1015	R1007-E1011 WeakPolarHBondContact CA-OE2 3.47Å; R1007-E1011 HydrophobicContact CB-CB 4.27Å; R1007-E1011 VanDerWaalsContact CD-OE2 3.28Å; R1007-E1011 WeakPolarHBondContact CD-OE2 3.39Å; R1007-E1011 IonicContact CZ-OE1 3.66Å; R1007-E1011 IonicContact CZ-OE2 3.9Å; R1007-E1011 IonicContact NE-OE2 3.27Å; R1007-E1011 IonicContact NH1-OE1 3.97Å; R1007-E1011 PolarHBondContact NH1-OE1 2.74Å; R1007-E1011 IonicContact NH1-OE2 3.78Å; R1007-E1011 PolarHBondContact NH1-OE2 3.02Å; T1008-E1011 PolarHBondContact N-OE2 2.71Å; T1008-E1011 PolarHBondContact O-N 2.97Å; T1008-E1011 VanDerWaalsContact O-N 3.15Å; T1008-E1011 PolarHBondContact OG1-N 3.19Å; E1011-Q1013 VanDerWaalsContact C-N 3.31Å; E1011-Q1013 PolarHBondContact O-N 3.46Å; E1011-R1014 PolarHBondContact O-N 2.88Å; E1011-R1015 PolarHBondContact O-N 3Å
1012	F	92.4	Very high	90.1	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-41.5	171.8	-73.3	-51.4	0	0	0	111.9	L970 L988 R989 V992 I1004 R1007 T1008 A1009 R1014 R1015 C1016	L970-F1012 HydrophobicContact CD1-CD1 4Å; L970-F1012 HydrophobicContact CD1-CE1 4.32Å; L970-F1012 HydrophobicContact CD2-CD1 3.55Å; L970-F1012 HydrophobicContact CD2-CE1 3.69Å; L970-F1012 HydrophobicContact CD2-CG 4.43Å; L970-F1012 HydrophobicContact CG-CD1 4.45Å; L988-F1012 HydrophobicContact CD2-CB 4.22Å; R989-F1012 HydrophobicContact CB-CD2 3.95Å; R989-F1012 HydrophobicContact CB-CE2 3.87Å; R989-F1012 HydrophobicContact CG-CD2 4.4Å; R989-F1012 HydrophobicContact CG-CE2 3.97Å; V992-F1012 HydrophobicContact CB-CZ 4.11Å; V992-F1012 HydrophobicContact CG1-CZ 3.95Å; V992-F1012 HydrophobicContact CG2-CE1 4.19Å; V992-F1012 HydrophobicContact CG2-CE2 4.46Å; V992-F1012 HydrophobicContact CG2-CZ 3.9Å; I1004-F1012 HydrophobicContact CD1-CE1 4.2Å; I1004-F1012 HydrophobicContact CG1-CE1 3.75Å; I1004-F1012 HydrophobicContact CG1-CZ 4.02Å; I1004-F1012 WeakPolarHBondContact O-CZ 3.37Å; R1007-F1012 HydrophobicContact CB-CD1 4.47Å; R1007-F1012 HydrophobicContact CB-CD2 4.4Å; R1007-F1012 HydrophobicContact CB-CE1 3.97Å; R1007-F1012 HydrophobicContact CB-CE2 3.9Å; R1007-F1012 HydrophobicContact CB-CZ 3.67Å; R1007-F1012 HydrophobicContact CG-CE1 4.32Å; R1007-F1012 HydrophobicContact CG-CZ 4.35Å; T1008-F1012 WeakPolarHBondContact O-CD2 3.45Å; T1008-F1012 PolarHBondContact O-N 3.01Å; A1009-F1012 PolarHBondContact O-N 3.38Å; F1012-R1014 PolarHBondContact O-N 3.41Å; F1012-R1015 PolarHBondContact O-N 3.07Å; F1012-C1016 VanDerWaalsContact O-CB 3.3Å; F1012-C1016 WeakPolarHBondContact O-CB 3.39Å; F1012-C1016 PolarHBondContact O-N 3.34Å; F1012-C1016 PolarHBondContact O-SG 2.89Å
1013	Q	90.5	Very high	90.4	Very high	81 Å²	81	38.1 Å²	38.1	38%	0.379	20%	0.195	S	C	.	.	H	α-helix	trans	-58	-48.6	175	179.9	176	29.7	0	0	112.1	Y985 A1009 M1010 E1011 R1015 C1016 N1017	Y985-Q1013 HydrophobicContact CD1-CB 3.95Å; Y985-Q1013 HydrophobicContact CD2-CB 3.82Å; Y985-Q1013 HydrophobicContact CD2-CG 3.95Å; Y985-Q1013 HydrophobicContact CE1-CB 3.96Å; Y985-Q1013 HydrophobicContact CE1-CG 4.24Å; Y985-Q1013 HydrophobicContact CE2-CB 3.82Å; Y985-Q1013 HydrophobicContact CE2-CG 3.5Å; Y985-Q1013 HydrophobicContact CG-CB 3.86Å; Y985-Q1013 HydrophobicContact CG-CG 4.47Å; A1009-Q1013 WeakPolarHBondContact O-CB 3.4Å; A1009-Q1013 PolarHBondContact O-N 2.88Å; M1010-Q1013 WeakPolarHBondContact O-CB 3.21Å; M1010-Q1013 PolarHBondContact O-N 3.22Å; E1011-Q1013 VanDerWaalsContact C-N 3.31Å; E1011-Q1013 PolarHBondContact O-N 3.46Å; Q1013-R1015 VanDerWaalsContact C-N 3.34Å; Q1013-R1015 PolarHBondContact O-N 2.84Å; Q1013-C1016 PolarHBondContact O-N 2.64Å; Q1013-N1017 WeakPolarHBondContact O-CB 3.5Å; Q1013-N1017 VanDerWaalsContact O-CG 3.22Å; Q1013-N1017 PolarHBondContact O-N 3.45Å; Q1013-N1017 PolarHBondContact O-ND2 3.3Å
1014	R	89.1	Confident	90.5	Very high	102 Å²	102	35.9 Å²	35.9	39%	0.385	19%	0.186	S	C	.	.	H	α-helix	trans	-61.4	-42.6	176.9	-69.5	-179	-159	154.8	11.7	111.8	M1010 E1011 F1012 N1017 T1018	M1010-R1014 WeakPolarHBondContact O-CG 3.47Å; M1010-R1014 PolarHBondContact O-N 3.06Å; E1011-R1014 PolarHBondContact O-N 2.88Å; F1012-R1014 PolarHBondContact O-N 3.41Å; R1014-N1017 PolarHBondContact O-N 3.38Å; R1014-T1018 PolarHBondContact O-N 2.96Å; R1014-T1018 VanDerWaalsContact O-N 3.11Å; R1014-T1018 PolarHBondContact O-OG1 2.9Å
1015	R	90.8	Very high	90.4	Very high	24 Å²	24	41.8 Å²	41.8	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-50.1	178.8	-174.2	55.7	177.8	179.1	1.1	111.2	Y962 D967 L970 E1011 F1012 Q1013 N1017 T1018 L1019	Y962-R1015 HydrophobicContact CD1-CG 4.18Å; Y962-R1015 HydrophobicContact CD2-CG 4.05Å; Y962-R1015 HydrophobicContact CE1-CG 4.04Å; Y962-R1015 HydrophobicContact CE2-CB 4.26Å; Y962-R1015 HydrophobicContact CE2-CG 3.91Å; Y962-R1015 HydrophobicContact CG-CG 4.18Å; D967-R1015 VanDerWaalsContact CG-NH2 3.26Å; D967-R1015 IonicContact OD1-CZ 3.78Å; D967-R1015 VanDerWaalsContact OD1-CZ 3.32Å; D967-R1015 IonicContact OD1-NE 2.64Å; D967-R1015 PolarHBondContact OD1-NE 3.3Å; D967-R1015 IonicContact OD1-NH2 3.64Å; D967-R1015 PolarHBondContact OD1-NH2 3.08Å; D967-R1015 VanDerWaalsContact OD1-NH2 3.12Å; D967-R1015 IonicContact OD2-CZ 3.68Å; D967-R1015 IonicContact OD2-NE 3.86Å; D967-R1015 IonicContact OD2-NH2 3.44Å; D967-R1015 PolarHBondContact OD2-NH2 3.34Å; L970-R1015 HydrophobicContact CD1-CB 4.5Å; L970-R1015 HydrophobicContact CD1-CG 3.94Å; E1011-R1015 PolarHBondContact O-N 3Å; F1012-R1015 PolarHBondContact O-N 3.07Å; Q1013-R1015 VanDerWaalsContact C-N 3.34Å; Q1013-R1015 PolarHBondContact O-N 2.84Å; R1015-N1017 VanDerWaalsContact C-N 3.32Å; R1015-N1017 PolarHBondContact O-N 3.48Å; R1015-T1018 WeakPolarHBondContact O-CB 3.44Å; R1015-T1018 PolarHBondContact O-N 3.37Å; R1015-T1018 VanDerWaalsContact O-N 3.08Å; R1015-L1019 HydrophobicContact CG-CD1 4.24Å; R1015-L1019 WeakPolarHBondContact O-CG 3.07Å; R1015-L1019 PolarHBondContact O-N 3.31Å
1016	C	91.3	Very high	90.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-56	-44.1	175.9	-72.5	0	0	0	0	112.1	L974 Y985 F1012 Q1013 T1018 L1019 I1020	L974-C1016 HydrophobicContact CD2-CB 3.82Å; Y985-C1016 HydrophobicContact CE1-CB 3.92Å; F1012-C1016 VanDerWaalsContact O-CB 3.3Å; F1012-C1016 WeakPolarHBondContact O-CB 3.39Å; F1012-C1016 PolarHBondContact O-N 3.34Å; F1012-C1016 PolarHBondContact O-SG 2.89Å; Q1013-C1016 PolarHBondContact O-N 2.64Å; C1016-T1018 VanDerWaalsContact C-N 3.3Å; C1016-T1018 PolarHBondContact O-N 3.39Å; C1016-L1019 PolarHBondContact O-N 2.94Å; C1016-I1020 WeakPolarHBondContact O-CB 3.35Å; C1016-I1020 WeakPolarHBondContact O-CD1 3.24Å; C1016-I1020 WeakPolarHBondContact O-CG1 3.39Å; C1016-I1020 PolarHBondContact O-N 2.92Å
1017	N	90.7	Very high	90.6	Very high	64 Å²	64	38.3 Å²	38.3	34%	0.342	19%	0.19	S	C	.	.	H	α-helix	trans	-61	-38.4	176.7	-73.5	-21.1	0	0	0	112.8	Q1013 R1014 R1015 S1021	Q1013-N1017 WeakPolarHBondContact O-CB 3.5Å; Q1013-N1017 VanDerWaalsContact O-CG 3.22Å; Q1013-N1017 PolarHBondContact O-N 3.45Å; Q1013-N1017 PolarHBondContact O-ND2 3.3Å; R1014-N1017 PolarHBondContact O-N 3.38Å; R1015-N1017 VanDerWaalsContact C-N 3.32Å; R1015-N1017 PolarHBondContact O-N 3.48Å; N1017-S1021 PolarHBondContact O-N 3.09Å; N1017-S1021 VanDerWaalsContact O-N 3.08Å
1018	T	89.9	Confident	90.5	Very high	64 Å²	64	41.1 Å²	41.1	39%	0.393	21%	0.206	S	C	.	.	H	α-helix	trans	-63.7	-46.7	174.8	-52.6	0	0	0	0	110.9	R1014 R1015 C1016 S1021 L1022	R1014-T1018 PolarHBondContact O-N 2.96Å; R1014-T1018 VanDerWaalsContact O-N 3.11Å; R1014-T1018 PolarHBondContact O-OG1 2.9Å; R1015-T1018 WeakPolarHBondContact O-CB 3.44Å; R1015-T1018 PolarHBondContact O-N 3.37Å; R1015-T1018 VanDerWaalsContact O-N 3.08Å; C1016-T1018 VanDerWaalsContact C-N 3.3Å; C1016-T1018 PolarHBondContact O-N 3.39Å; T1018-S1021 PolarHBondContact O-N 3.12Å; T1018-L1022 PolarHBondContact O-N 3.27Å; T1018-L1022 VanDerWaalsContact O-N 3.14Å
1019	L	91.4	Very high	90.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-39.2	179.5	-62.4	175.4	0	0	0	112.2	I952 Y954 D967 I971 R1015 C1016 S1021 L1022 I1023	I952-L1019 HydrophobicContact CD1-CD2 4.07Å; I952-L1019 HydrophobicContact CG2-CD2 4.42Å; Y954-L1019 HydrophobicContact CE1-CD2 4.42Å; D967-L1019 HydrophobicContact CB-CD1 3.74Å; D967-L1019 HydrophobicContact CB-CD2 3.92Å; D967-L1019 HydrophobicContact CB-CG 4.5Å; I971-L1019 HydrophobicContact CD1-CB 3.63Å; I971-L1019 HydrophobicContact CD1-CD1 4.16Å; I971-L1019 HydrophobicContact CG1-CB 3.96Å; I971-L1019 HydrophobicContact CG1-CD1 3.84Å; R1015-L1019 HydrophobicContact CG-CD1 4.24Å; R1015-L1019 WeakPolarHBondContact O-CG 3.07Å; R1015-L1019 PolarHBondContact O-N 3.31Å; C1016-L1019 PolarHBondContact O-N 2.94Å; L1019-S1021 VanDerWaalsContact C-N 3.33Å; L1019-S1021 PolarHBondContact O-N 3.49Å; L1019-L1022 HydrophobicContact CD2-CD1 4.42Å; L1019-L1022 PolarHBondContact O-N 2.82Å; L1019-I1023 VanDerWaalsContact O-CG1 3.31Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.23Å; L1019-I1023 PolarHBondContact O-N 2.81Å
1020	I	91.1	Very high	90.3	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-45.8	173.5	-74.2	163.9	0	0	0	110.3	I932 L936 L974 F979 C1016 L1022 I1023 E1024	I932-I1020 HydrophobicContact CB-CG2 4.46Å; I932-I1020 HydrophobicContact CD1-CD1 4.31Å; I932-I1020 HydrophobicContact CD1-CG2 4.23Å; I932-I1020 HydrophobicContact CG1-CG2 3.74Å; I932-I1020 HydrophobicContact CG2-CD1 3.74Å; I932-I1020 HydrophobicContact CG2-CG1 4.2Å; I932-I1020 HydrophobicContact CG2-CG2 4.23Å; L936-I1020 HydrophobicContact CD2-CG1 4.44Å; L974-I1020 HydrophobicContact CD2-CD1 3.95Å; F979-I1020 HydrophobicContact CD2-CD1 4.37Å; F979-I1020 HydrophobicContact CE2-CD1 3.96Å; C1016-I1020 WeakPolarHBondContact O-CB 3.35Å; C1016-I1020 WeakPolarHBondContact O-CD1 3.24Å; C1016-I1020 WeakPolarHBondContact O-CG1 3.39Å; C1016-I1020 PolarHBondContact O-N 2.92Å; I1020-L1022 VanDerWaalsContact C-N 3.32Å; I1020-L1022 PolarHBondContact O-N 3.32Å; I1020-I1023 PolarHBondContact O-N 3.02Å; I1020-E1024 HydrophobicContact CG2-CG 4.43Å; I1020-E1024 WeakPolarHBondContact O-CG 3.15Å; I1020-E1024 PolarHBondContact O-N 3.04Å
1021	S	90.8	Very high	90.3	Very high	67 Å²	67	44.7 Å²	44.7	47%	0.469	22%	0.219	S	C	.	.	H	α-helix	trans	-62	-39.4	178.3	-179.2	0	0	0	0	112.5	N1017 T1018 L1019 E1024 K1025	N1017-S1021 PolarHBondContact O-N 3.09Å; N1017-S1021 VanDerWaalsContact O-N 3.08Å; T1018-S1021 PolarHBondContact O-N 3.12Å; L1019-S1021 VanDerWaalsContact C-N 3.33Å; L1019-S1021 PolarHBondContact O-N 3.49Å; S1021-E1024 PolarHBondContact O-N 3.15Å; S1021-K1025 PolarHBondContact O-N 2.88Å
1022	L	90.8	Very high	90.2	Very high	23 Å²	23	49.7 Å²	49.7	12%	0.12	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-43.3	173.9	-68	172.2	0	0	0	111.8	I952 Y954 T1018 L1019 I1020 K1025 E1026	I952-L1022 HydrophobicContact CG2-CB 4.47Å; I952-L1022 HydrophobicContact CG2-CD1 4.26Å; Y954-L1022 HydrophobicContact CD1-CD1 4.06Å; T1018-L1022 PolarHBondContact O-N 3.27Å; T1018-L1022 VanDerWaalsContact O-N 3.14Å; L1019-L1022 HydrophobicContact CD2-CD1 4.42Å; L1019-L1022 PolarHBondContact O-N 2.82Å; I1020-L1022 VanDerWaalsContact C-N 3.32Å; I1020-L1022 PolarHBondContact O-N 3.32Å; L1022-K1025 PolarHBondContact O-N 3.26Å; L1022-E1026 WeakPolarHBondContact O-CB 3.3Å; L1022-E1026 PolarHBondContact O-N 3.26Å
1023	I	92.2	Very high	89.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.8	-42.2	178	-69.2	165.5	0	0	0	111.4	A935 L936 K939 I971 L1019 I1020 K1025 E1026 N1027	A935-I1023 HydrophobicContact CB-CG2 4.35Å; A935-I1023 WeakPolarHBondContact O-CG2 2.9Å; L936-I1023 HydrophobicContact CD2-CD1 4.01Å; K939-I1023 HydrophobicContact CB-CG2 3.63Å; K939-I1023 HydrophobicContact CD-CG1 4.36Å; K939-I1023 HydrophobicContact CD-CG2 4.25Å; K939-I1023 HydrophobicContact CG-CD1 4.18Å; K939-I1023 HydrophobicContact CG-CG1 4.16Å; K939-I1023 HydrophobicContact CG-CG2 3.94Å; I971-I1023 HydrophobicContact CD1-CD1 3.77Å; I971-I1023 HydrophobicContact CG1-CD1 4Å; I971-I1023 HydrophobicContact CG2-CD1 3.98Å; L1019-I1023 VanDerWaalsContact O-CG1 3.31Å; L1019-I1023 WeakPolarHBondContact O-CG1 3.23Å; L1019-I1023 PolarHBondContact O-N 2.81Å; I1020-I1023 PolarHBondContact O-N 3.02Å; I1023-K1025 VanDerWaalsContact C-N 3.32Å; I1023-K1025 PolarHBondContact O-N 3.11Å; I1023-E1026 PolarHBondContact O-N 3.31Å; I1023-N1027 WeakPolarHBondContact O-CB 3.21Å; I1023-N1027 PolarHBondContact O-N 3.07Å; I1023-N1027 PolarHBondContact O-ND2 3.46Å; I1023-N1027 PolarHBondContact O-OD1 3.28Å
1024	E	91.5	Very high	89.7	Confident	26 Å²	26	58.4 Å²	58.4	12%	0.121	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-44.8	175.3	-75.3	178.9	140.4	0	0	110.7	R928 S931 A935 I1020 S1021 N1027 M1028	R928-E1024 IonicContact CZ-OE1 3.36Å; R928-E1024 IonicContact CZ-OE2 3.94Å; R928-E1024 VanDerWaalsContact CZ-OE2 3.27Å; R928-E1024 VanDerWaalsContact NH1-CD 3.26Å; R928-E1024 IonicContact NH1-OE1 2.77Å; R928-E1024 PolarHBondContact NH1-OE1 2.97Å; R928-E1024 IonicContact NH1-OE2 2.75Å; R928-E1024 PolarHBondContact NH1-OE2 3.46Å; R928-E1024 IonicContact NH2-OE1 3.13Å; R928-E1024 IonicContact NH2-OE2 2.92Å; R928-E1024 PolarHBondContact NH2-OE2 3.34Å; S931-E1024 PolarHBondContact OG-OE1 2.93Å; A935-E1024 HydrophobicContact CB-CG 3.74Å; I1020-E1024 HydrophobicContact CG2-CG 4.43Å; I1020-E1024 WeakPolarHBondContact O-CG 3.15Å; I1020-E1024 PolarHBondContact O-N 3.04Å; S1021-E1024 PolarHBondContact O-N 3.15Å; E1024-N1027 PolarHBondContact O-N 3.37Å; E1024-M1028 WeakPolarHBondContact O-CG 3.41Å; E1024-M1028 PolarHBondContact O-N 3.36Å
1025	K	90.1	Very high	89.5	Confident	123 Å²	123	61.5 Å²	61.5	54%	0.535	29%	0.288	S	S	.	.	H	α-helix	trans	-62.6	-45.9	176	-172.4	178.7	177.5	-179.5	0	112.6	S1021 L1022 I1023 N1027 M1028 E1029	S1021-K1025 PolarHBondContact O-N 2.88Å; L1022-K1025 PolarHBondContact O-N 3.26Å; I1023-K1025 VanDerWaalsContact C-N 3.32Å; I1023-K1025 PolarHBondContact O-N 3.11Å; K1025-N1027 VanDerWaalsContact C-N 3.3Å; K1025-N1027 PolarHBondContact O-N 2.82Å; K1025-M1028 PolarHBondContact O-N 3.35Å; K1025-E1029 WeakPolarHBondContact CE-OE1 3.15Å; K1025-E1029 WeakPolarHBondContact O-CG 3.45Å; K1025-E1029 PolarHBondContact O-N 2.77Å
1026	E	90.3	Very high	89.2	Confident	14 Å²	14	62.7 Å²	62.7	7%	0.065	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-41.6	176.3	-175.2	-167.2	140.3	0	0	111.7	K939 R942 L1022 I1023 E1029 I1030	K939-E1026 IonicContact NZ-OE1 3.07Å; K939-E1026 PolarHBondContact NZ-OE1 2.83Å; K939-E1026 IonicContact NZ-OE2 3.41Å; K939-E1026 PolarHBondContact NZ-OE2 3.01Å; R942-E1026 IonicContact NH1-OE1 3.25Å; R942-E1026 PolarHBondContact NH1-OE1 3.48Å; L1022-E1026 WeakPolarHBondContact O-CB 3.3Å; L1022-E1026 PolarHBondContact O-N 3.26Å; I1023-E1026 PolarHBondContact O-N 3.31Å; E1026-E1029 PolarHBondContact O-N 3.48Å; E1026-I1030 HydrophobicContact CG-CD1 4.04Å; E1026-I1030 WeakPolarHBondContact O-CG1 3.37Å; E1026-I1030 PolarHBondContact O-N 3.2Å
1027	N	90.5	Very high	88.8	Confident	14 Å²	14	68.1 Å²	68.1	8%	0.075	33%	0.328	C	S	.	.	H	α-helix	trans	-63.6	-42	177.7	-69.7	-12.3	0	0	0	111.6	A935 R942 I1023 E1024 K1025 I1030 E1031	A935-N1027 WeakPolarHBondContact CA-ND2 3.38Å; A935-N1027 PolarHBondContact O-ND2 2.99Å; R942-N1027 PolarHBondContact NH1-OD1 3.33Å; R942-N1027 PolarHBondContact NH2-OD1 3.4Å; I1023-N1027 WeakPolarHBondContact O-CB 3.21Å; I1023-N1027 PolarHBondContact O-N 3.07Å; I1023-N1027 PolarHBondContact O-ND2 3.46Å; I1023-N1027 PolarHBondContact O-OD1 3.28Å; E1024-N1027 PolarHBondContact O-N 3.37Å; K1025-N1027 VanDerWaalsContact C-N 3.3Å; K1025-N1027 PolarHBondContact O-N 2.82Å; N1027-I1030 PolarHBondContact O-N 3.11Å; N1027-E1031 WeakPolarHBondContact O-CG 3.17Å; N1027-E1031 PolarHBondContact O-N 3.42Å
1028	M	88.6	Confident	88.2	Confident	111 Å²	111	72.1 Å²	72.1	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-46.4	174.9	-72.7	-175.1	-77.7	0	0	111.8	E1024 K1025 I1030 E1031 E1032	E1024-M1028 WeakPolarHBondContact O-CG 3.41Å; E1024-M1028 PolarHBondContact O-N 3.36Å; K1025-M1028 PolarHBondContact O-N 3.35Å; M1028-I1030 VanDerWaalsContact C-N 3.28Å; M1028-I1030 PolarHBondContact O-N 3.44Å; M1028-E1031 PolarHBondContact O-N 3Å; M1028-E1032 WeakPolarHBondContact O-CG 3.23Å; M1028-E1032 PolarHBondContact O-N 3.47Å
1029	E	89.7	Confident	87.7	Confident	62 Å²	62	76.7 Å²	76.7	29%	0.29	36%	0.357	S	S	.	.	H	α-helix	trans	-60.7	-36.6	177.9	-71.9	178.2	-166.7	0	0	112.4	K1025 E1026 R1033	K1025-E1029 WeakPolarHBondContact CE-OE1 3.15Å; K1025-E1029 WeakPolarHBondContact O-CG 3.45Å; K1025-E1029 PolarHBondContact O-N 2.77Å; E1026-E1029 PolarHBondContact O-N 3.48Å; E1029-R1033 VanDerWaalsContact O-CG 3.32Å; E1029-R1033 WeakPolarHBondContact O-CG 3.24Å; E1029-R1033 PolarHBondContact O-N 3.32Å
1030	I	87.1	Confident	87	Confident	45 Å²	45	84 Å²	84	23%	0.231	39%	0.388	C	S	.	.	H	α-helix	trans	-71.7	-45.8	176.5	-71.6	166.5	0	0	0	111.3	R942 E1026 N1027 M1028 E1032 R1033 E1034	R942-I1030 VanDerWaalsContact NH1-CD1 3.29Å; E1026-I1030 HydrophobicContact CG-CD1 4.04Å; E1026-I1030 WeakPolarHBondContact O-CG1 3.37Å; E1026-I1030 PolarHBondContact O-N 3.2Å; N1027-I1030 PolarHBondContact O-N 3.11Å; M1028-I1030 VanDerWaalsContact C-N 3.28Å; M1028-I1030 PolarHBondContact O-N 3.44Å; I1030-E1032 VanDerWaalsContact C-N 3.27Å; I1030-E1032 PolarHBondContact O-N 3.34Å; I1030-R1033 PolarHBondContact O-N 2.85Å; I1030-R1033 VanDerWaalsContact O-N 3.15Å; I1030-E1034 HydrophobicContact CG2-CG 4.41Å; I1030-E1034 WeakPolarHBondContact O-CG 3.46Å; I1030-E1034 PolarHBondContact O-N 3.22Å
1031	E	87	Confident	86.2	Confident	88 Å²	88	93 Å²	93	41%	0.411	42%	0.422	S	S	.	.	H	α-helix	trans	-59	-39.7	177.2	-78.2	-170.4	-174.3	0	0	111.8	N1027 M1028 E1034 R1035	N1027-E1031 WeakPolarHBondContact O-CG 3.17Å; N1027-E1031 PolarHBondContact O-N 3.42Å; M1028-E1031 PolarHBondContact O-N 3Å; E1031-E1034 PolarHBondContact O-N 3.44Å; E1031-R1035 WeakPolarHBondContact O-CB 3.34Å; E1031-R1035 VanDerWaalsContact O-CG 3.28Å; E1031-R1035 WeakPolarHBondContact O-CG 3.49Å; E1031-R1035 PolarHBondContact O-N 2.95Å
1032	E	87.8	Confident	85	Confident	134 Å²	134	93.5 Å²	93.5	63%	0.626	43%	0.431	S	S	*	.	H	α-helix	trans	-64	-42.6	174.9	-75.1	-175.3	168.5	0	0	112.5	M1028 I1030 R1035 A1036	M1028-E1032 WeakPolarHBondContact O-CG 3.23Å; M1028-E1032 PolarHBondContact O-N 3.47Å; I1030-E1032 VanDerWaalsContact C-N 3.27Å; I1030-E1032 PolarHBondContact O-N 3.34Å; E1032-R1035 PolarHBondContact O-N 3.07Å; E1032-A1036 WeakPolarHBondContact O-CB 3.46Å; E1032-A1036 PolarHBondContact O-N 2.92Å
1033	R	87.5	Confident	83.7	Confident	162 Å²	162	98 Å²	98	61%	0.611	46%	0.459	S	S	*	.	H	α-helix	trans	-62.4	-45.3	175.3	-75.7	176.5	-173.2	-175.8	5.6	111.7	E1029 I1030 R1035 A1036 E1037	E1029-R1033 VanDerWaalsContact O-CG 3.32Å; E1029-R1033 WeakPolarHBondContact O-CG 3.24Å; E1029-R1033 PolarHBondContact O-N 3.32Å; I1030-R1033 PolarHBondContact O-N 2.85Å; I1030-R1033 VanDerWaalsContact O-N 3.15Å; R1033-R1035 VanDerWaalsContact C-N 3.34Å; R1033-R1035 PolarHBondContact O-N 2.97Å; R1033-A1036 PolarHBondContact O-N 2.94Å; R1033-E1037 WeakPolarHBondContact O-CG 3.33Å; R1033-E1037 PolarHBondContact O-N 3.25Å
1034	E	86.1	Confident	81.9	Confident	102 Å²	102	106.4 Å²	106.4	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-63	-40	177.2	-72.6	-174.7	179.9	0	0	112.1	I1030 E1031 E1037 K1038	I1030-E1034 HydrophobicContact CG2-CG 4.41Å; I1030-E1034 WeakPolarHBondContact O-CG 3.46Å; I1030-E1034 PolarHBondContact O-N 3.22Å; E1031-E1034 PolarHBondContact O-N 3.44Å; E1034-E1037 PolarHBondContact O-N 3.28Å; E1034-K1038 WeakPolarHBondContact O-CB 3.32Å; E1034-K1038 WeakPolarHBondContact O-CG 3.44Å; E1034-K1038 PolarHBondContact O-N 2.69Å
1035	R	84.4	Confident	79.7	Confident	167 Å²	167	110.6 Å²	110.6	63%	0.63	52%	0.523	S	S	*	.	H	α-helix	trans	-62.9	-42.3	173.7	-75.1	175.3	-174	-173.3	5.4	111.5	E1031 E1032 R1033 K1038 K1039	E1031-R1035 WeakPolarHBondContact O-CB 3.34Å; E1031-R1035 VanDerWaalsContact O-CG 3.28Å; E1031-R1035 WeakPolarHBondContact O-CG 3.49Å; E1031-R1035 PolarHBondContact O-N 2.95Å; E1032-R1035 PolarHBondContact O-N 3.07Å; R1033-R1035 VanDerWaalsContact C-N 3.34Å; R1033-R1035 PolarHBondContact O-N 2.97Å; R1035-K1038 PolarHBondContact O-N 2.7Å; R1035-K1039 WeakPolarHBondContact O-CG 3.3Å; R1035-K1039 PolarHBondContact O-N 3.26Å
1036	A	84.3	Confident	77.7	Confident	49 Å²	49	110 Å²	110	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-65.4	-39.7	176.6	0	0	0	0	0	112.2	E1032 R1033 K1039 K1040	E1032-A1036 WeakPolarHBondContact O-CB 3.46Å; E1032-A1036 PolarHBondContact O-N 2.92Å; R1033-A1036 PolarHBondContact O-N 2.94Å; A1036-K1039 PolarHBondContact O-N 3.33Å; A1036-K1040 WeakPolarHBondContact O-CG 3.11Å; A1036-K1040 PolarHBondContact O-N 3.41Å
1037	E	82.5	Confident	75.6	Confident	115 Å²	115	117.9 Å²	117.9	54%	0.537	57%	0.571	S	S	.	*	H	α-helix	trans	-68.1	-41	175.6	-75.3	-172.2	174	0	0	112.9	R1033 E1034 K1039 K1040 R1041	R1033-E1037 WeakPolarHBondContact O-CG 3.33Å; R1033-E1037 PolarHBondContact O-N 3.25Å; E1034-E1037 PolarHBondContact O-N 3.28Å; E1037-K1039 VanDerWaalsContact C-N 3.33Å; E1037-K1039 PolarHBondContact O-N 3.44Å; E1037-K1040 PolarHBondContact O-N 3.45Å; E1037-R1041 PolarHBondContact O-N 3.5Å
1038	K	79.3	Confident	73.5	Confident	148 Å²	148	123.1 Å²	123.1	64%	0.643	60%	0.603	S	S	*	*	H	α-helix	trans	-59.6	-43.4	173	-78.4	177.1	179.2	172.9	0	111.3	E1034 R1035 K1040 R1041 A1042	E1034-K1038 WeakPolarHBondContact O-CB 3.32Å; E1034-K1038 WeakPolarHBondContact O-CG 3.44Å; E1034-K1038 PolarHBondContact O-N 2.69Å; R1035-K1038 PolarHBondContact O-N 2.7Å; K1038-K1040 PolarHBondContact O-N 3.02Å; K1038-R1041 PolarHBondContact O-N 2.91Å; K1038-A1042 WeakPolarHBondContact O-CB 3.45Å; K1038-A1042 PolarHBondContact O-N 2.84Å
1039	K	78.6	Confident	71.3	Confident	160 Å²	160	126.8 Å²	126.8	70%	0.696	62%	0.616	S	S	*	*	H	α-helix	trans	-60	-43.6	173.4	-75.4	-178.4	178.7	-176.8	0	112	R1035 A1036 E1037 A1042 T1043	R1035-K1039 WeakPolarHBondContact O-CG 3.3Å; R1035-K1039 PolarHBondContact O-N 3.26Å; A1036-K1039 PolarHBondContact O-N 3.33Å; E1037-K1039 VanDerWaalsContact C-N 3.33Å; E1037-K1039 PolarHBondContact O-N 3.44Å; K1039-A1042 PolarHBondContact O-N 3.19Å; K1039-T1043 PolarHBondContact O-N 2.92Å; K1039-T1043 PolarHBondContact O-OG1 3.44Å
1040	K	77.3	Confident	69.1	Low	152 Å²	152	133.4 Å²	133.4	66%	0.661	64%	0.644	S	S	*	*	H	α-helix	trans	-65.1	-37.6	176.6	-77	-179.9	177.8	177.5	0	113.5	A1036 E1037 K1038 T1043 K1044	A1036-K1040 WeakPolarHBondContact O-CG 3.11Å; A1036-K1040 PolarHBondContact O-N 3.41Å; E1037-K1040 PolarHBondContact O-N 3.45Å; K1038-K1040 PolarHBondContact O-N 3.02Å; K1040-T1043 WeakPolarHBondContact CA-OG1 3.43Å; K1040-T1043 PolarHBondContact O-OG1 3.03Å; K1040-K1044 PolarHBondContact O-N 2.95Å
1041	R	73.4	Confident	67	Low	191 Å²	191	135.6 Å²	135.6	72%	0.721	66%	0.664	S	S	*	*	H	α-helix	trans	-69.8	-41	176.7	-76	-175.8	179.4	-176.6	2.2	111.8	E1037 K1038 T1043 K1044	E1037-R1041 PolarHBondContact O-N 3.5Å; K1038-R1041 PolarHBondContact O-N 2.91Å; R1041-T1043 PolarHBondContact O-N 2.94Å; R1041-K1044 PolarHBondContact O-N 2.83Å
1042	A	67.2	Low	64.9	Low	78 Å²	78	136.3 Å²	136.3	65%	0.645	69%	0.685	S	S	*	*	H	α-helix	trans	-59.2	-34.1	176.2	0	0	0	0	0	112.5	K1038 K1039 K1044	K1038-A1042 WeakPolarHBondContact O-CB 3.45Å; K1038-A1042 PolarHBondContact O-N 2.84Å; K1039-A1042 PolarHBondContact O-N 3.19Å; A1042-K1044 VanDerWaalsContact C-N 3.33Å; A1042-K1044 PolarHBondContact O-N 3.35Å
1043	T	63.2	Low	62.5	Low	116 Å²	116	138.5 Å²	138.5	71%	0.712	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	-11.5	174.7	44.9	0	0	0	0	115	K1039 K1040 R1041	K1039-T1043 PolarHBondContact O-N 2.92Å; K1039-T1043 PolarHBondContact O-OG1 3.44Å; K1040-T1043 WeakPolarHBondContact CA-OG1 3.43Å; K1040-T1043 PolarHBondContact O-OG1 3.03Å; R1041-T1043 PolarHBondContact O-N 2.94Å
1044	K	54.2	Low	59.9	Low	177 Å²	177	139 Å²	139	77%	0.77	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	0.4	-172.5	-84.8	-167.8	176.2	-171.8	0	115.4	K1040 R1041 A1042 P1046	K1040-K1044 PolarHBondContact O-N 2.95Å; R1041-K1044 PolarHBondContact O-N 2.83Å; A1042-K1044 VanDerWaalsContact C-N 3.33Å; A1042-K1044 PolarHBondContact O-N 3.35Å; K1044-P1046 VanDerWaalsContact O-CD 3.28Å; K1044-P1046 WeakPolarHBondContact O-CD 3.35Å
1045	T	44.2	Very low	58.6	Low	114 Å²	114	140.9 Å²	140.9	70%	0.699	73%	0.733	S	S	*	*	S	Bend	trans	-71.3	113.1	171.3	-36.5	0	0	0	0	108.5	M1047	T1045-M1047 PolarHBondContact O-N 3.23Å
1046	P	48.2	Very low	57.2	Low	111 Å²	111	139.5 Å²	139.5	72%	0.721	74%	0.739	S	S	*	*			trans	-73.8	124.4	-169.9	29.3	-31.4	0	0	0	109.8	K1044 V1048	K1044-P1046 VanDerWaalsContact O-CD 3.28Å; K1044-P1046 WeakPolarHBondContact O-CD 3.35Å; P1046-V1048 PolarHBondContact O-N 3.1Å
1047	M	47.3	Very low	55.7	Low	179 Å²	179	144.6 Å²	144.6	88%	0.882	76%	0.757	S	S	*	*			trans	-53.5	113.2	162.7	-81.8	-175.3	175.2	0	0	108.1	T1045 K1049	T1045-M1047 PolarHBondContact O-N 3.23Å; M1047-K1049 VanDerWaalsContact C-N 3.32Å; M1047-K1049 PolarHBondContact O-N 2.88Å
1048	V	45.1	Very low	54.2	Low	125 Å²	125	146.3 Å²	146.3	76%	0.758	77%	0.77	S	S	*	*			trans	-56.8	99.7	164.7	176.3	0	0	0	0	106.4	P1046 F1050	P1046-V1048 PolarHBondContact O-N 3.1Å; V1048-F1050 PolarHBondContact O-N 3.39Å
1049	K	43.9	Very low	52.6	Low	188 Å²	188	146.2 Å²	146.2	82%	0.817	78%	0.778	S	S	*	*			trans	-67.2	101.5	172.5	-81	-177.6	174.4	179.9	0	107.3	M1047 S1051	M1047-K1049 VanDerWaalsContact C-N 3.32Å; M1047-K1049 PolarHBondContact O-N 2.88Å; K1049-S1051 PolarHBondContact O-N 3.15Å
1050	F	42.3	Very low	50.8	Low	200 Å²	200	145.3 Å²	145.3	88%	0.877	78%	0.784	S	S	*	*			trans	-61.6	94.6	154.5	-88.1	-90.5	0	0	0	107.3	V1048 A1052	V1048-F1050 PolarHBondContact O-N 3.39Å; F1050-A1052 PolarHBondContact O-N 3.01Å
1051	S	43.3	Very low	49	Very low	91 Å²	91	144.8 Å²	144.8	64%	0.636	79%	0.792	S	S	*	*			trans	-73.3	104.7	163.7	53.6	0	0	0	0	107.3	K1049 F1053	K1049-S1051 PolarHBondContact O-N 3.15Å; S1051-F1053 PolarHBondContact O-N 3.48Å; S1051-F1053 VanDerWaalsContact O-N 3.07Å
1052	A	42.8	Very low	47.1	Very low	103 Å²	103	141.2 Å²	141.2	85%	0.851	80%	0.798	S	S	*	*			trans	-57.2	108.1	163.4	0	0	0	0	0	108.3	F1050	F1050-A1052 PolarHBondContact O-N 3.01Å
1053	F	38.3	Very low	45.4	Very low	181 Å²	181	146.5 Å²	146.5	79%	0.794	81%	0.811	S	S	*	*			trans	-71.1	138.9	154.2	-95.6	-98	0	0	0	107.2	S1051	S1051-F1053 PolarHBondContact O-N 3.48Å; S1051-F1053 VanDerWaalsContact O-N 3.07Å
1054	S	32.4	Very low	43.8	Very low	173 Å²	173	149.3 Å²	149.3	100%	1.21	82%	0.82	S	S	*	*			trans	-28.4	0	157.4	56.2	0	0	0	0	114

Retrieved 1,054 of 1,054 residues in 496.9 ms (Link to these results)

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