A0A5K4F329_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB (A0A5K4F1L0), UniProt , Accession A0A5K4F329, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 983 aa.

						>A0A5K4F329_SCHMA|A0A5K4F329
MKTSQQFDVNKHLLFEIPRPKQKLSLKTNNIISNIKYSSNESFIENEKKDSGFDELTINNNILPKIDEEQIHGEQSILFTNNSINFMKDQPNKLSSVESHSKLLKQVNSPQHLEYVKPNHNYSNFKLDSSSPSTIEENNFFHSEKFFEELSLTNKSSIKLHENTFNTKRLLKPQVLKPDNINNDMNNTLLHANSVTSFSPFYYSVYQQNLSKNQQKSYQIPVYPFHSPFLLSTSLFQQQHRNQQLKKSDSLSKLLSRYHNCLQIGERVLQRTENRRHELAMKENKLPENHHVDKVVNRNSLEIKTHEKNLSKLTNYQEDKVQNLNNNPTKLTMSTYTTTIDNNDAQINKIGPHTGESKQHSSKLTDQSFIAQQFKLNQQLKTNTSVTNNNTSSITKNKDSNTSSVINKTQGNLSNITFGKQSHQTLQSNHNVKRNDNTNPCNNKGFIEKGKSLVDINKPVLINDKSKIDENHIINDQDNNIQIETKLQKMDNVSDATKSDHSPGIQKEISSEKKSLPAERAVLNAQQNSPKLPMNKTYDKDVNQIPKENNNDITRCNANVNITTQQNLNSNAPDVVTNNIITTAATNNNHTSSVKLLDVSDGAQQKLIGNCFTVSGLKKPNNDKLKSVYTAVGVTYVSDPDYLSKRYQIGRKLGDGNFAIVKLGKRRDTNDQYALKIIEKSKLTGKEAMLLNEIHILHHCRHPNIVRLYEEFETASEIWLVMEFIKDGDLFDGITQATKFTEPIAAGIVSDLASALFYLHCRSIVHRDLKPENILLLRQKNGQIRVKLADFGLALVVKKSMYTVCGTPTYIAPEILEESGYGLEVDMWALGIITYIMLCGFAPFRSTDRRQSKLFESIKRGHFVFLSPYWDNISSHAKDLITALLVITPKSRLTARETLAHPWVFGSGLPNLSEEFEKRRLDYRNELEKKHNEFKQSMNEKNPIDLYDKKNNNNKDNVNQNNKFIDMKKLELPRITKIKELYN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.1	Very low	30.7	Very low	249 Å²	249	163.2 Å²	163.2	100%	1.227	82%	0.823	S	S	*	*				0	165	0	-74.5	171.7	166.2	0	0	109.1
2	K	26.3	Very low	31	Very low	199 Å²	199	163.6 Å²	163.6	87%	0.865	82%	0.819	S	S	*	*			trans	-71.2	166.9	164.3	-53	174.8	-176.6	174.3	0	107.9
3	T	31	Very low	30.7	Very low	128 Å²	128	161.5 Å²	161.5	79%	0.785	81%	0.811	S	S	*	*			cis	-149.6	156.5	27.4	32.7	0	0	0	0	113.6
4	S	28.6	Very low	30.6	Very low	111 Å²	111	162.5 Å²	162.5	78%	0.776	82%	0.819	S	S	*	*			trans	-23.8	144.6	157.7	-34.6	0	0	0	0	118.6
5	Q	34.1	Very low	30.6	Very low	186 Å²	186	163.8 Å²	163.8	87%	0.869	82%	0.818	S	S	*	*			trans	-121.4	155.2	138.1	-80.1	-168.2	-12.6	0	0	109.3
6	Q	29	Very low	30.5	Very low	167 Å²	167	165.1 Å²	165.1	78%	0.78	82%	0.821	S	S	*	*			trans	-128.7	127	-170.8	177.7	179.4	-16.1	0	0	109.1
7	F	32.7	Very low	30.7	Very low	195 Å²	195	164.6 Å²	164.6	86%	0.855	82%	0.819	S	S	*	*			trans	-128.2	139.9	168.7	-93.1	-84.7	0	0	0	109.2
8	D	28.4	Very low	30.7	Very low	142 Å²	142	161.7 Å²	161.7	76%	0.759	82%	0.815	S	S	*	*			trans	-133.2	109.3	-165.5	-172.7	-0.7	0	0	0	109.1
9	V	34.3	Very low	30.8	Very low	112 Å²	112	165.5 Å²	165.5	68%	0.679	82%	0.818	S	S	*	*			trans	-145.6	109.4	-169.9	-174.5	0	0	0	0	112.6
10	N	34.5	Very low	31	Very low	129 Å²	129	163.5 Å²	163.5	69%	0.69	82%	0.818	S	S	*	*			trans	64.3	106	153.1	-66.5	-33.7	0	0	0	121.9
11	K	29	Very low	31.1	Very low	177 Å²	177	165.2 Å²	165.2	77%	0.77	82%	0.82	S	S	*	*				34.3	121.8	116.2	-61.9	172.2	178.6	172.3	0	118.5
12	H	33.6	Very low	31.2	Very low	168 Å²	168	161.9 Å²	161.9	78%	0.778	80%	0.802	S	S	*	*				-172.4	132.9	101.3	-106.2	-79.3	0	0	0	114.1
13	L	27.6	Very low	31.4	Very low	136 Å²	136	162.5 Å²	162.5	71%	0.712	80%	0.804	S	S	*	*			trans	40.7	81	151	-68.5	164.5	0	0	0	119.3	F15	L13-F15 HydrophobicContact CD2-CD2 4.41Å; L13-F15 HydrophobicContact CD2-CE2 4.03Å
14	L	28.8	Very low	31.2	Very low	176 Å²	176	163.5 Å²	163.5	92%	0.921	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-90.3	120.1	147.3	-93.8	159.4	0	0	0	108.9
15	F	31.4	Very low	31.2	Very low	182 Å²	182	163.7 Å²	163.7	80%	0.798	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-91.9	118.1	168.5	-100.6	-80.9	0	0	0	109.3	L13	L13-F15 HydrophobicContact CD2-CD2 4.41Å; L13-F15 HydrophobicContact CD2-CE2 4.03Å
16	E	28.5	Very low	31	Very low	185 Å²	185	162.2 Å²	162.2	86%	0.864	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-67.1	142.2	173.8	-62.4	-169.8	120.7	0	0	111.4
17	I	34.2	Very low	30.9	Very low	156 Å²	156	163.8 Å²	163.8	80%	0.8	81%	0.807	S	S	*	*			trans	-97	115.6	170.7	-59.3	176.8	0	0	0	107.6	R19	I17-R19 PolarHBondContact O-N 2.88Å
18	P	30.7	Very low	30.8	Very low	113 Å²	113	160.9 Å²	160.9	73%	0.734	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.4	128.5	-176.1	27.1	-33.7	0	0	0	111.4
19	R	31.4	Very low	30.8	Very low	234 Å²	234	160.9 Å²	160.9	88%	0.883	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-74.4	125.2	-179.5	-49.2	-177.7	-149	-177.2	6.7	110.6	I17 K21	I17-R19 PolarHBondContact O-N 2.88Å; R19-K21 PolarHBondContact O-N 3.11Å
20	P	35.1	Very low	30.5	Very low	124 Å²	124	162.5 Å²	162.5	81%	0.805	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-68.3	119.3	169.1	27.7	-32.3	0	0	0	109.9	Q22	P20-Q22 PolarHBondContact O-N 2.98Å
21	K	32.8	Very low	30.3	Very low	201 Å²	201	163.2 Å²	163.2	87%	0.874	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.6	119.6	-177.7	-66	178.8	-179.5	176.7	0	111	R19 K23	R19-K21 PolarHBondContact O-N 3.11Å; K21-K23 PolarHBondContact O-N 2.76Å
22	Q	33.5	Very low	30.2	Very low	179 Å²	179	161.9 Å²	161.9	84%	0.836	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-64.4	121.8	165.5	-69.3	-176.7	-3.7	0	0	109.6	P20 L24	P20-Q22 PolarHBondContact O-N 2.98Å; Q22-L24 PolarHBondContact O-N 3.17Å
23	K	30.5	Very low	29.8	Very low	211 Å²	211	158.1 Å²	158.1	92%	0.917	81%	0.805	S	S	*	*			trans	-76.8	106.1	168.1	-86.2	-172.1	173	-177.8	0	109.4	K21 S25	K21-K23 PolarHBondContact O-N 2.76Å; K23-S25 PolarHBondContact O-N 2.91Å
24	L	26.6	Very low	29.7	Very low	150 Å²	150	158.9 Å²	158.9	79%	0.785	81%	0.809	S	S	*	*			trans	-67.2	121.1	156.2	-77.3	84.1	0	0	0	108.3	Q22	Q22-L24 PolarHBondContact O-N 3.17Å
25	S	28.3	Very low	29.7	Very low	114 Å²	114	158.9 Å²	158.9	80%	0.797	81%	0.809	S	S	*	*			trans	-90.1	96.7	163.4	60	0	0	0	0	109	K23 K27	K23-S25 PolarHBondContact O-N 2.91Å; S25-K27 PolarHBondContact O-N 3.2Å
26	L	30	Very low	29.4	Very low	155 Å²	155	158.8 Å²	158.8	81%	0.812	81%	0.808	S	S	*	*			trans	-60.9	134.3	166	-81.4	161.5	0	0	0	109.2
27	K	27.5	Very low	29.2	Very low	200 Å²	200	160.6 Å²	160.6	87%	0.87	81%	0.808	S	S	*	*			trans	-76.9	121.6	166.9	-71.1	-178.7	177.9	179.5	0	108.4	S25	S25-K27 PolarHBondContact O-N 3.2Å
28	T	30.6	Very low	28.9	Very low	134 Å²	134	159 Å²	159	82%	0.822	81%	0.811	S	S	*	*			trans	-119.7	131.8	159.9	41.9	0	0	0	0	108.7
29	N	28.5	Very low	28.6	Very low	142 Å²	142	158.1 Å²	158.1	76%	0.759	81%	0.808	S	S	*	*			trans	-93.3	154.4	176.5	-75.5	-18.4	0	0	0	110.3
30	N	28.2	Very low	28.5	Very low	146 Å²	146	154.7 Å²	154.7	78%	0.781	81%	0.807	S	S	*	*			trans	78.1	141.7	148	-67.5	-5.4	0	0	0	121.5
31	I	29	Very low	28.1	Very low	145 Å²	145	157.7 Å²	157.7	74%	0.744	81%	0.81	S	S	*	*			trans	91.4	81.6	150.2	-66.2	151.6	0	0	0	119.2
32	I	27	Very low	27.7	Very low	148 Å²	148	153 Å²	153	76%	0.759	80%	0.802	S	S	*	*				77.3	132.7	115.6	-68.9	166	0	0	0	122.4
33	S	26.5	Very low	27.4	Very low	89 Å²	89	152.7 Å²	152.7	62%	0.622	80%	0.799	S	S	*	*			trans	65.1	110.7	154.4	69.1	0	0	0	0	123.4
34	N	24.3	Very low	27.2	Very low	152 Å²	152	149.1 Å²	149.1	81%	0.813	79%	0.788	S	S	*	*				43.8	124.7	117.1	-50.7	-16.4	0	0	0	121
35	I	28.4	Very low	27.1	Very low	176 Å²	176	149.6 Å²	149.6	90%	0.903	79%	0.787	S	S	*	*				-166.8	174.1	104.9	-98.7	162.9	0	0	0	110.5
36	K	25.4	Very low	27.1	Very low	181 Å²	181	151.1 Å²	151.1	79%	0.787	79%	0.786	S	S	*	*			trans	-97.3	150.9	-159.3	-77.1	-176	177.6	179.8	0	115.8
37	Y	24.5	Very low	27	Very low	222 Å²	222	152.7 Å²	152.7	87%	0.871	79%	0.789	S	S	*	*			trans	35	124.3	140.1	-71.9	-111.1	0	0	0	120.4
38	S	28.8	Very low	26.9	Very low	123 Å²	123	153.1 Å²	153.1	86%	0.86	79%	0.791	S	S	*	*				-161.3	164.2	108	-159.8	0	0	0	0	111.4
39	S	24.7	Very low	26.9	Very low	95 Å²	95	155.9 Å²	155.9	66%	0.664	79%	0.791	S	S	*	*			trans	-104.7	154.6	178.8	53.3	0	0	0	0	112.5
40	N	29.4	Very low	26.9	Very low	162 Å²	162	156.2 Å²	156.2	87%	0.866	79%	0.793	S	S	*	*			trans	-172.4	167.1	132	-92	-9.7	0	0	0	110.8
41	E	25.1	Very low	26.9	Very low	187 Å²	187	155 Å²	155	87%	0.874	80%	0.796	S	S	*	*			trans	-110.9	172.6	-159.7	-57.3	-177.8	116.4	0	0	115.5
42	S	25.3	Very low	26.8	Very low	101 Å²	101	151 Å²	151	71%	0.706	79%	0.791	S	S	*	*			trans	98.3	155.3	149.3	80	0	0	0	0	120.1
43	F	28	Very low	26.8	Very low	174 Å²	174	150.9 Å²	150.9	76%	0.763	79%	0.785	S	S	*	*			trans	67.7	119.5	-171.2	-65.1	-92.1	0	0	0	115.6
44	I	26.3	Very low	26.8	Very low	135 Å²	135	153.7 Å²	153.7	69%	0.692	79%	0.793	S	S	*	*			cis	73.9	118.7	38.7	-53.5	168.5	0	0	0	109.6
45	E	24.3	Very low	26.8	Very low	161 Å²	161	152.4 Å²	152.4	75%	0.752	78%	0.782	S	S	*	*			cis	-153.7	-178.3	16.6	-145.5	156.5	-144.7	0	0	113.3
46	N	26.8	Very low	26.8	Very low	146 Å²	146	152 Å²	152	78%	0.781	78%	0.781	S	S	*	*			trans	70.9	139	170.4	-52.3	-53.5	0	0	0	116.6
47	E	29.2	Very low	26.8	Very low	188 Å²	188	146.9 Å²	146.9	88%	0.879	77%	0.765	S	S	*	*			cis	-127.7	160.1	13.3	-61.7	-177.2	110.4	0	0	113.3
48	K	24.5	Very low	27	Very low	208 Å²	208	142.7 Å²	142.7	90%	0.904	76%	0.756	S	S	*	*			trans	-125.7	125.6	168.5	-75.4	-179.9	177.9	175	0	111
49	K	30.9	Very low	26.9	Very low	192 Å²	192	143.8 Å²	143.8	84%	0.835	75%	0.752	S	S	*	*			trans	-145.8	143.2	156.9	-75	-164.6	178.2	171.9	0	113.1
50	D	27.8	Very low	27.1	Very low	150 Å²	150	141.3 Å²	141.3	80%	0.802	73%	0.732	S	S	*	*			trans	60.1	75.5	151.6	-51.8	-25.5	0	0	0	120.2
51	S	29.8	Very low	27.1	Very low	120 Å²	120	140.5 Å²	140.5	84%	0.839	73%	0.727	S	S	*	*			trans	-139.3	74.2	146.9	68.6	0	0	0	0	111	F53	S51-F53 PolarHBondContact O-N 3.31Å
52	G	25.6	Very low	27.4	Very low	61 Å²	61	138.5 Å²	138.5	63%	0.629	72%	0.721	S	S	*	*			trans	-76.2	104.1	-173.3	0	0	0	0	0	114.3
53	F	26.4	Very low	27.3	Very low	146 Å²	146	138 Å²	138	64%	0.64	71%	0.71	S	S	*	*			trans	-145.5	60.8	168.9	-129.9	-79	0	0	0	110.1	S51	S51-F53 PolarHBondContact O-N 3.31Å
54	D	28.4	Very low	27.4	Very low	148 Å²	148	134.4 Å²	134.4	79%	0.791	70%	0.704	S	S	*	*			trans	-71.7	131.7	-170.7	-67	-57.6	0	0	0	114.2	L56	D54-L56 PolarHBondContact O-N 3.16Å
55	E	24	Very low	27.6	Very low	125 Å²	125	137.3 Å²	137.3	58%	0.584	71%	0.712	S	S	*	*			trans	-70.8	89.4	168.6	-71.2	-175.1	92.4	0	0	111.6	T57 V195	E55-T57 VanDerWaalsContact C-N 3.31Å; E55-T57 PolarHBondContact O-N 3.32Å; E55-V195 HydrophobicContact CG-CG1 3.74Å
56	L	27.8	Very low	27.9	Very low	168 Å²	168	136.8 Å²	136.8	88%	0.88	71%	0.712	S	S	*	*			trans	-78.6	86.6	164.6	-80.5	176.3	0	0	0	111.4	D54 I58	D54-L56 PolarHBondContact O-N 3.16Å; L56-I58 PolarHBondContact O-N 3.07Å
57	T	26.3	Very low	27.9	Very low	72 Å²	72	137.2 Å²	137.2	44%	0.442	72%	0.715	S	S	.	*			trans	-37.9	130.6	165.1	-70.8	0	0	0	0	111.8	E55 N59	E55-T57 VanDerWaalsContact C-N 3.31Å; E55-T57 PolarHBondContact O-N 3.32Å; T57-N59 VanDerWaalsContact C-N 3.35Å; T57-N59 PolarHBondContact O-N 3.29Å
58	I	27.6	Very low	28	Very low	135 Å²	135	137.5 Å²	137.5	69%	0.692	72%	0.716	S	S	*	*			trans	-69	93	171.3	-56.6	176.8	0	0	0	108.8	L56 N60	L56-I58 PolarHBondContact O-N 3.07Å; I58-N60 PolarHBondContact O-N 3.28Å; I58-N60 PolarHBondContact O-ND2 3.38Å
59	N	27.8	Very low	28.2	Very low	145 Å²	145	136.6 Å²	136.6	78%	0.775	72%	0.715	S	S	*	*			trans	-66.3	101.5	163.9	-90.3	-1.7	0	0	0	108.6	T57	T57-N59 VanDerWaalsContact C-N 3.35Å; T57-N59 PolarHBondContact O-N 3.29Å
60	N	27.4	Very low	28	Very low	44 Å²	44	135.5 Å²	135.5	24%	0.235	71%	0.713	C	S	.	*			trans	-78.2	120.5	165.3	-74	-89.8	0	0	0	108.4	I58 N260	I58-N60 PolarHBondContact O-N 3.28Å; I58-N60 PolarHBondContact O-ND2 3.38Å; N60-N260 HydrophobicContact CB-CB 4.34Å; N60-N260 VanDerWaalsContact CB-CG 3.49Å; N60-N260 WeakPolarHBondContact CB-OD1 3.31Å
61	N	30.4	Very low	28.1	Very low	144 Å²	144	136.4 Å²	136.4	77%	0.77	72%	0.716	S	S	*	*			trans	-159.1	135.7	157.3	-87	-29.3	0	0	0	105.8
62	I	30.3	Very low	28	Very low	146 Å²	146	139 Å²	139	75%	0.749	72%	0.715	S	S	*	*			cis	-152.7	163	-7.5	-121.3	159.4	0	0	0	107.4
63	L	25	Very low	28.1	Very low	89 Å²	89	139.7 Å²	139.7	47%	0.466	72%	0.722	S	S	.	*	P	Polyproline II helix	trans	-80.7	163.2	173.5	-93.7	164.5	0	0	0	111.4
64	P	29.7	Very low	28.1	Very low	100 Å²	100	141.2 Å²	141.2	65%	0.649	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-79.5	163.7	-162.9	33.7	-38.6	0	0	0	114.6
65	K	30.5	Very low	28	Very low	196 Å²	196	143.3 Å²	143.3	85%	0.852	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-100.9	131.5	140.3	-61.1	-176.1	176.5	-174	0	105.7
66	I	30.6	Very low	28	Very low	149 Å²	149	142.1 Å²	142.1	76%	0.764	74%	0.741	S	S	*	*				62.3	112	57	-56.6	177.6	0	0	0	109.6
67	D	25.6	Very low	27.8	Very low	155 Å²	155	141.8 Å²	141.8	83%	0.829	74%	0.739	S	S	*	*			trans	-70.9	143.6	-177.8	-45.3	-92	0	0	0	111.8
68	E	30.9	Very low	27.7	Very low	195 Å²	195	144.9 Å²	144.9	91%	0.911	75%	0.751	S	S	*	*			trans	-160.6	168.8	139.5	-115.4	167.5	-152	0	0	109
69	E	30	Very low	27.4	Very low	189 Å²	189	146.7 Å²	146.7	88%	0.883	76%	0.755	S	S	*	*			trans	-87	176	-144.6	-64.3	-174.9	113.6	0	0	117.5
70	Q	27	Very low	27.4	Very low	169 Å²	169	145.7 Å²	145.7	79%	0.79	75%	0.754	S	S	*	*			trans	-49.8	154	-176.6	-55.1	171.8	-8.2	0	0	115.6
71	I	29	Very low	27.4	Very low	169 Å²	169	149.5 Å²	149.5	87%	0.867	78%	0.775	S	S	*	*				-156.4	140.2	111.7	-98.8	151.2	0	0	0	109.2
72	H	28.9	Very low	27.4	Very low	175 Å²	175	149.9 Å²	149.9	81%	0.81	78%	0.776	S	S	*	*			trans	-80.2	155.2	179.2	-90	-82.9	0	0	0	112.6
73	G	27.5	Very low	27.6	Very low	75 Å²	75	147.8 Å²	147.8	77%	0.773	78%	0.775	S	S	*	*			trans	-174.1	74.1	171.8	0	0	0	0	0	112.6
74	E	25.3	Very low	27.9	Very low	178 Å²	178	150 Å²	150	83%	0.832	79%	0.786	S	S	*	*			trans	-72.9	124.2	169.5	-68.2	-173.2	137.4	0	0	110.9
75	Q	27.2	Very low	27.9	Very low	192 Å²	192	150.8 Å²	150.8	90%	0.897	78%	0.784	S	S	*	*			trans	-159.6	149.4	138.6	-119.3	146.6	97.5	0	0	112.5
76	S	23.2	Very low	27.9	Very low	99 Å²	99	149.7 Å²	149.7	69%	0.692	78%	0.78	S	S	*	*			trans	-74.6	155.7	169.5	48.6	0	0	0	0	110.9
77	I	24.7	Very low	27.9	Very low	162 Å²	162	149 Å²	149	83%	0.831	78%	0.775	S	S	*	*				174.5	156.5	125.6	-89.2	156.6	0	0	0	111.6
78	L	22.6	Very low	28.1	Very low	136 Å²	136	149.2 Å²	149.2	71%	0.712	77%	0.768	S	S	*	*			trans	-58.8	147.1	-176	-87.8	64.9	0	0	0	117.3
79	F	22.9	Very low	28.1	Very low	174 Å²	174	145.2 Å²	145.2	76%	0.763	75%	0.754	S	S	*	*			trans	70.1	159.8	139.2	-86.3	-106.2	0	0	0	122.9
80	T	26.8	Very low	28.1	Very low	124 Å²	124	144 Å²	144	76%	0.761	75%	0.748	S	S	*	*			trans	95.6	140.7	162.9	70.5	0	0	0	0	117.4
81	N	26.6	Very low	28.4	Very low	124 Å²	124	140.6 Å²	140.6	66%	0.663	74%	0.74	S	S	*	*			cis	-168.3	-179.6	-31.2	-117.6	-10.5	0	0	0	108.4
82	N	31.1	Very low	28.3	Very low	151 Å²	151	139.5 Å²	139.5	81%	0.807	74%	0.736	S	S	*	*			trans	74.5	137.1	171.8	-41.2	-41.8	0	0	0	113.6
83	S	33.9	Very low	28.4	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	74%	0.739	S	S	*	*			cis	-159.8	168.7	2.5	-134.9	0	0	0	0	109
84	I	32.3	Very low	28.2	Very low	136 Å²	136	144.6 Å²	144.6	70%	0.697	74%	0.741	S	S	*	*			cis	-150.7	167.5	7.9	-160.3	157.9	0	0	0	111.9
85	N	29.3	Very low	28.1	Very low	116 Å²	116	140.5 Å²	140.5	62%	0.62	73%	0.732	S	S	*	*			trans	-29.5	143.3	165.8	-43.5	-25.7	0	0	0	116.2
86	F	30.7	Very low	28	Very low	174 Å²	174	136.6 Å²	136.6	76%	0.763	73%	0.726	S	S	*	*				-171	149.3	64.6	-98	-100.4	0	0	0	107.8
87	M	30.1	Very low	28.2	Very low	133 Å²	133	137.5 Å²	137.5	66%	0.655	73%	0.727	S	S	*	*			cis	-160	146.2	-4.9	-141.7	-175.4	-170	0	0	109
88	K	29.9	Very low	28.3	Very low	160 Å²	160	137.8 Å²	137.8	70%	0.696	73%	0.725	S	S	*	*			trans	35.4	150.8	140	-68.9	-177.6	173.2	-163	0	121.5
89	D	30.7	Very low	28.5	Very low	112 Å²	112	135.9 Å²	135.9	60%	0.599	72%	0.723	S	S	*	*			cis	-177.2	153.6	0.2	-99.1	-20.8	0	0	0	105.5
90	Q	30.7	Very low	29	Very low	164 Å²	164	137.4 Å²	137.4	77%	0.766	73%	0.732	S	S	*	*			cis	-154.5	164.6	-10.4	-86.3	-69.4	-38.2	0	0	107.8
91	P	33.7	Very low	29.1	Very low	96 Å²	96	135.2 Å²	135.2	62%	0.623	72%	0.722	S	S	*	*			trans	-92.8	177.3	-176.7	37.5	-35.7	0	0	0	115.8
92	N	26.3	Very low	29.2	Very low	147 Å²	147	137.4 Å²	137.4	79%	0.786	73%	0.726	S	S	*	*			trans	71.9	102.4	165.8	-61.1	-26.4	0	0	0	119.9
93	K	30.2	Very low	29.2	Very low	201 Å²	201	138.9 Å²	138.9	87%	0.874	73%	0.733	S	S	*	*				-176.3	133.3	127.2	-95.7	151.2	-174.7	178.1	0	108.6
94	L	24.2	Very low	28.8	Very low	155 Å²	155	139.9 Å²	139.9	81%	0.812	73%	0.729	S	S	*	*				81.4	115.3	64.7	-145.4	92.4	0	0	0	113.6
95	S	23.2	Very low	28.6	Very low	93 Å²	93	140.9 Å²	140.9	65%	0.65	73%	0.729	S	S	*	*			trans	60.1	129.8	152.3	57.7	0	0	0	0	123
96	S	24.4	Very low	28.5	Very low	110 Å²	110	143 Å²	143	77%	0.769	74%	0.735	S	S	*	*			trans	79.4	172	139.2	73.4	0	0	0	0	120.7
97	V	28.1	Very low	28.5	Very low	117 Å²	117	141.1 Å²	141.1	71%	0.709	74%	0.737	S	S	*	*			trans	70.3	85.8	-179.5	-168	0	0	0	0	113.2
98	E	26.6	Very low	28.5	Very low	168 Å²	168	141.8 Å²	141.8	79%	0.785	74%	0.744	S	S	*	*				82.3	113.1	82.3	-77.5	-173.8	132	0	0	113.4
99	S	26.9	Very low	28.5	Very low	97 Å²	97	139.6 Å²	139.6	68%	0.678	75%	0.748	S	S	*	*				85.5	96.4	80.4	-63.8	0	0	0	0	113.6
100	H	33.9	Very low	28.7	Very low	205 Å²	205	139.7 Å²	139.7	95%	0.949	76%	0.755	S	S	*	*			trans	-126.6	89.7	150.9	-107.9	-85	0	0	0	110.6
101	S	28.5	Very low	28.9	Very low	79 Å²	79	140.3 Å²	140.3	55%	0.552	76%	0.758	S	S	*	*			trans	-84.8	163.4	177.1	71	0	0	0	0	112.4
102	K	28.7	Very low	28.9	Very low	170 Å²	170	142.9 Å²	142.9	74%	0.739	76%	0.761	S	S	*	*			trans	72.7	108.7	161.4	-54	154	-171.1	168.9	0	116.3	L104	K102-L104 HydrophobicContact CB-CD1 4.5Å; K102-L104 HydrophobicContact CG-CD1 4.13Å
103	L	30.6	Very low	29	Very low	182 Å²	182	142.1 Å²	142.1	95%	0.953	76%	0.756	S	S	*	*				-120.9	112.8	112.5	-101.5	170.2	0	0	0	109.5
104	L	25.7	Very low	29	Very low	122 Å²	122	140.2 Å²	140.2	64%	0.639	75%	0.751	S	S	*	*			trans	-78.2	168.9	165.1	-72.1	153	0	0	0	107.4	K102	K102-L104 HydrophobicContact CB-CD1 4.5Å; K102-L104 HydrophobicContact CG-CD1 4.13Å
105	K	28.3	Very low	29.1	Very low	157 Å²	157	143.4 Å²	143.4	68%	0.683	75%	0.753	S	S	*	*			cis	-173.3	145.3	21.8	-139.6	167.4	-177.9	-177	0	108.7
106	Q	26.4	Very low	29.4	Very low	162 Å²	162	145.1 Å²	145.1	76%	0.757	76%	0.76	S	S	*	*			trans	61.8	157.5	155.6	-68.1	158.9	-52.8	0	0	115.9
107	V	32	Very low	29.6	Very low	133 Å²	133	148.5 Å²	148.5	81%	0.806	76%	0.761	S	S	*	*			cis	-132.8	167.5	29.1	174.6	0	0	0	0	111.9
108	N	29.2	Very low	29.8	Very low	148 Å²	148	148.7 Å²	148.7	79%	0.791	76%	0.764	S	S	*	*			trans	-63.6	174.8	176.2	-43.4	-48.2	0	0	0	112.4
109	S	31.1	Very low	29.9	Very low	113 Å²	113	148.1 Å²	148.1	79%	0.79	77%	0.767	S	S	*	*			cis	-154.1	170.2	21.2	52.3	0	0	0	0	113.3
110	P	34.7	Very low	30	Very low	114 Å²	114	151 Å²	151	74%	0.74	77%	0.769	S	S	*	*			trans	-110.1	163.9	-174.1	40.3	-33.1	0	0	0	114.8
111	Q	33.1	Very low	29.8	Very low	178 Å²	178	149.2 Å²	149.2	83%	0.832	77%	0.767	S	S	*	*			trans	-168.6	148.2	142.9	-112.1	166.7	15.1	0	0	114.5
112	H	35	Very low	29.7	Very low	150 Å²	150	155.4 Å²	155.4	69%	0.694	78%	0.779	S	S	*	*			trans	53.6	117.6	172.5	-72.2	-91.3	0	0	0	119.1
113	L	28.4	Very low	29.6	Very low	130 Å²	130	151.7 Å²	151.7	68%	0.681	78%	0.775	S	S	*	*				79.2	137.4	66.6	-96.7	68.5	0	0	0	113.4
114	E	30.4	Very low	29.5	Very low	161 Å²	161	149 Å²	149	75%	0.752	76%	0.762	S	S	*	*			cis	-146.4	155	8.7	-162.7	152.5	-133.3	0	0	114.1	V116	E114-V116 HydrophobicContact CG-CG2 4.43Å
115	Y	25.9	Very low	29.6	Very low	222 Å²	222	151.7 Å²	151.7	87%	0.871	77%	0.768	S	S	*	*			trans	-113.6	127.6	176.9	-120.2	-91.4	0	0	0	108.5
116	V	30.5	Very low	29.5	Very low	130 Å²	130	152.5 Å²	152.5	79%	0.788	77%	0.772	S	S	*	*			trans	-136.5	139	165.9	-170	0	0	0	0	111.4	E114	E114-V116 HydrophobicContact CG-CG2 4.43Å
117	K	26.6	Very low	29.5	Very low	181 Å²	181	151 Å²	151	79%	0.787	77%	0.768	S	S	*	*			trans	-96.1	159.8	-179	-78.9	179.2	177.1	178	0	111.8
118	P	34.1	Very low	29.3	Very low	121 Å²	121	151.5 Å²	151.5	79%	0.786	77%	0.766	S	S	*	*			trans	-71.2	156.5	176.9	31.4	-37.7	0	0	0	112.8
119	N	27.7	Very low	29.2	Very low	156 Å²	156	149.2 Å²	149.2	83%	0.834	76%	0.762	S	S	*	*			trans	-161.1	163.4	153.3	-124.3	-37.6	0	0	0	114
120	H	29.1	Very low	29.2	Very low	158 Å²	158	148.7 Å²	148.7	73%	0.731	76%	0.758	S	S	*	*			trans	-72.9	160.1	-179.6	-59.9	-94.8	0	0	0	113.9
121	N	30.4	Very low	29	Very low	167 Å²	167	149 Å²	149	89%	0.893	76%	0.763	S	S	*	*				-162	163.6	111.5	-104.2	-21.9	0	0	0	114.7
122	Y	25.4	Very low	29	Very low	209 Å²	209	146.5 Å²	146.5	82%	0.82	76%	0.762	S	S	*	*			trans	-97.3	161.4	-177.9	-107.4	-102.9	0	0	0	112.4
123	S	27.3	Very low	28.7	Very low	92 Å²	92	144.3 Å²	144.3	64%	0.643	76%	0.764	S	S	*	*			trans	61	141.3	151.8	70.1	0	0	0	0	118.3
124	N	29.2	Very low	28.6	Very low	126 Å²	126	143.9 Å²	143.9	67%	0.674	77%	0.767	S	S	*	*			cis	-163.6	168.5	49.6	-90.6	-60.9	0	0	0	112.9
125	F	25.9	Very low	28.4	Very low	177 Å²	177	142.6 Å²	142.6	78%	0.776	76%	0.764	S	S	*	*			trans	19.5	145.6	142.7	-66.9	-69.1	0	0	0	121.6
126	K	27.5	Very low	28.5	Very low	174 Å²	174	139.7 Å²	139.7	76%	0.757	76%	0.758	S	S	*	*			cis	-157	-176	7.8	-151.9	159.8	177.6	-172.5	0	111.6
127	L	27	Very low	28.3	Very low	132 Å²	132	141.1 Å²	141.1	69%	0.691	76%	0.756	S	S	*	*			trans	-42.6	160.8	164.7	-70.3	86.9	0	0	0	113.8
128	D	27.8	Very low	28.5	Very low	142 Å²	142	138.7 Å²	138.7	76%	0.759	75%	0.752	S	S	*	*			cis	-154.3	-179.4	46.1	-117	-51.9	0	0	0	117.7
129	S	26.3	Very low	28.2	Very low	101 Å²	101	138.9 Å²	138.9	71%	0.706	75%	0.746	S	S	*	*			trans	-44.5	158.2	177.7	65.8	0	0	0	0	116.1
130	S	31.8	Very low	28.2	Very low	101 Å²	101	140.2 Å²	140.2	71%	0.706	75%	0.745	S	S	*	*			cis	-174.3	152.1	46.2	54.4	0	0	0	0	115
131	S	29.2	Very low	28.3	Very low	121 Å²	121	139.4 Å²	139.4	85%	0.846	74%	0.74	S	S	*	*			trans	46.1	148	144.4	-51.7	0	0	0	0	123.9
132	P	34.3	Very low	28.3	Very low	125 Å²	125	138.9 Å²	138.9	81%	0.812	73%	0.731	S	S	*	*			trans	-119.5	161.2	-166.6	42.4	-31.2	0	0	0	117
133	S	26.8	Very low	28.5	Very low	104 Å²	104	133.8 Å²	133.8	73%	0.727	73%	0.726	S	S	*	*			trans	-172.4	135.6	149.4	58.1	0	0	0	0	113
134	T	27.2	Very low	28.6	Very low	121 Å²	121	136.8 Å²	136.8	74%	0.742	73%	0.73	S	S	*	*			trans	42.6	142.5	140	57.1	0	0	0	0	121.9
135	I	26.2	Very low	28.6	Very low	134 Å²	134	139.7 Å²	139.7	69%	0.687	74%	0.737	S	S	*	*			cis	-166	-176.7	-6.3	-119.5	166.5	0	0	0	107.8
136	E	27.7	Very low	28.8	Very low	162 Å²	162	139.2 Å²	139.2	76%	0.757	74%	0.735	S	S	*	*			trans	73.2	98	163.8	-88.5	149.4	-125.3	0	0	120.1
137	E	26.9	Very low	28.8	Very low	160 Å²	160	137.9 Å²	137.9	75%	0.748	73%	0.729	S	S	*	*				41.2	127.4	120.6	-58.1	-175.5	177.5	0	0	119.8
138	N	29.9	Very low	28.8	Very low	130 Å²	130	138.4 Å²	138.4	70%	0.695	73%	0.728	S	S	*	*				-158.2	135	74.4	-104.5	-92.3	0	0	0	115.8
139	N	28.2	Very low	28.6	Very low	124 Å²	124	140.1 Å²	140.1	66%	0.663	73%	0.731	S	S	*	*			trans	34.6	128.5	142.1	-71.6	-62.4	0	0	0	122.4
140	F	29	Very low	28.7	Very low	184 Å²	184	143.4 Å²	143.4	81%	0.807	74%	0.74	S	S	*	*				-166.2	110.4	106.6	-121.7	-100.9	0	0	0	115
141	F	29.4	Very low	28.4	Very low	142 Å²	142	143 Å²	143	62%	0.623	74%	0.738	S	S	*	*			trans	70.3	123	142.1	-86	-107.7	0	0	0	126.2
142	H	30.3	Very low	28.3	Very low	155 Å²	155	144.4 Å²	144.4	72%	0.718	74%	0.735	S	S	*	*			trans	63.2	144.7	146.4	-74.4	-15.3	0	0	0	121.8
143	S	31.2	Very low	27.9	Very low	102 Å²	102	143.5 Å²	143.5	71%	0.713	73%	0.727	S	S	*	*			cis	-172	169	-17.3	52.2	0	0	0	0	110.1
144	E	29.3	Very low	27.9	Very low	155 Å²	155	144.2 Å²	144.2	72%	0.724	72%	0.723	S	S	*	*			cis	-162.9	163	-48.1	-167.8	160	-141.1	0	0	108.9	F146	E144-F146 HydrophobicContact CG-CD2 4.18Å; E144-F146 HydrophobicContact CG-CE2 4.19Å
145	K	29	Very low	27.8	Very low	187 Å²	187	147.2 Å²	147.2	81%	0.813	73%	0.726	S	S	*	*			trans	-130.7	141.6	172.3	-71.5	177.6	178.1	175.4	0	110.2
146	F	29.8	Very low	27.8	Very low	167 Å²	167	145.3 Å²	145.3	73%	0.732	72%	0.724	S	S	*	*			trans	-146.6	146.9	160.1	-91.1	-96.3	0	0	0	110.8	E144	E144-F146 HydrophobicContact CG-CD2 4.18Å; E144-F146 HydrophobicContact CG-CE2 4.19Å
147	F	28.1	Very low	27.6	Very low	146 Å²	146	142.7 Å²	142.7	64%	0.64	72%	0.724	S	S	*	*			cis	-167.9	-170.7	-27.4	-138.7	-129.8	0	0	0	111.9
148	E	26	Very low	27.5	Very low	143 Å²	143	142.8 Å²	142.8	67%	0.668	73%	0.728	S	S	*	*			trans	-24	144.5	167.5	-78	162.8	-169.6	0	0	118.7
149	E	25	Very low	27.2	Very low	178 Å²	178	144.8 Å²	144.8	83%	0.832	73%	0.73	S	S	*	*				82.2	116.8	56.5	-167.5	-177.6	-93.6	0	0	113.7
150	L	28.1	Very low	26.9	Very low	170 Å²	170	146 Å²	146	89%	0.89	74%	0.736	S	S	*	*			trans	-163.4	146.2	154.2	-114.1	173	0	0	0	109.5
151	S	25.1	Very low	26.7	Very low	94 Å²	94	144.1 Å²	144.1	66%	0.657	73%	0.729	S	S	*	*			trans	-111.6	154.7	178.4	63.8	0	0	0	0	111.1
152	L	27.3	Very low	26.4	Very low	149 Å²	149	144 Å²	144	78%	0.78	73%	0.73	S	S	*	*			trans	160.8	131.7	131.1	-84.1	160.2	0	0	0	114.1
153	T	25.9	Very low	26.2	Very low	107 Å²	107	142.9 Å²	142.9	66%	0.656	73%	0.73	S	S	*	*			trans	63.7	126.8	142.5	56.3	0	0	0	0	124.3
154	N	25.4	Very low	25.9	Very low	119 Å²	119	142.4 Å²	142.4	64%	0.636	72%	0.723	S	S	*	*			trans	71.3	118.7	130.3	-74.9	-44.3	0	0	0	122.5
155	K	26.3	Very low	25.8	Very low	184 Å²	184	143.6 Å²	143.6	80%	0.8	73%	0.726	S	S	*	*				68.3	147.7	128.2	-64.6	175	-174	177.1	0	118.4
156	S	25.2	Very low	25.7	Very low	93 Å²	93	140.8 Å²	140.8	65%	0.65	72%	0.72	S	S	*	*			cis	-170.7	139.3	-12	47.1	0	0	0	0	113.1
157	S	23.7	Very low	25.6	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	71%	0.712	S	S	*	*			trans	69.9	164.3	142.6	-57.2	0	0	0	0	121.1
158	I	25	Very low	25.5	Very low	161 Å²	161	138.9 Å²	138.9	83%	0.826	72%	0.719	S	S	*	*			trans	73.7	137.5	167.6	-52.6	170.8	0	0	0	114.5
159	K	23.5	Very low	25.6	Very low	173 Å²	173	143.4 Å²	143.4	75%	0.752	73%	0.73	S	S	*	*			cis	152.5	129.6	-27.3	-108.7	-168	172.9	-175.1	0	105.8
160	L	23	Very low	25.6	Very low	148 Å²	148	141.3 Å²	141.3	78%	0.775	72%	0.724	S	S	*	*			trans	66.1	166.6	160.2	-54.3	165.2	0	0	0	115
161	H	25.1	Very low	25.7	Very low	146 Å²	146	140.8 Å²	140.8	68%	0.676	72%	0.721	S	S	*	*			cis	-132.8	-169.7	3	-143	-85.8	0	0	0	111.7
162	E	23.1	Very low	25.6	Very low	138 Å²	138	145.4 Å²	145.4	65%	0.645	73%	0.729	S	S	*	*			trans	-83.3	-179	-169.2	-50.6	157.5	138.3	0	0	116.7
163	N	25.7	Very low	25.5	Very low	132 Å²	132	144 Å²	144	71%	0.706	73%	0.729	S	S	*	*			trans	88.6	154.2	150.1	-65.9	-53.8	0	0	0	120.2
164	T	24.7	Very low	25.6	Very low	92 Å²	92	147.9 Å²	147.9	56%	0.564	74%	0.74	S	S	*	*			cis	-173.9	168.6	-33.3	-87.8	0	0	0	0	107.4
165	F	26.3	Very low	25.5	Very low	181 Å²	181	148.8 Å²	148.8	79%	0.794	75%	0.749	S	S	*	*			trans	77.4	157.6	175.3	-58.7	-62.2	0	0	0	116.3
166	N	26.9	Very low	25.5	Very low	127 Å²	127	148.1 Å²	148.1	68%	0.679	75%	0.753	S	S	*	*			cis	-162.5	166.6	-1.6	-114.4	-9.4	0	0	0	108.3
167	T	27.4	Very low	25.4	Very low	92 Å²	92	153 Å²	153	56%	0.564	76%	0.763	S	S	*	*			cis	-169.7	151.6	-36.4	24.2	0	0	0	0	110.9
168	K	27.1	Very low	25.9	Very low	181 Å²	181	152.8 Å²	152.8	79%	0.787	76%	0.759	S	S	*	*			trans	72.1	142.6	160.9	-58.7	146.1	-175.4	174.6	0	116
169	R	27.9	Very low	25.9	Very low	238 Å²	238	151.9 Å²	151.9	90%	0.898	76%	0.756	S	S	*	*			cis	-128.5	147.4	25.5	-68.3	168.9	161.3	160.7	-7.6	110.5
170	L	25.4	Very low	26.1	Very low	135 Å²	135	150 Å²	150	71%	0.707	75%	0.754	S	S	*	*				62.8	129.4	58	-69.6	163.9	0	0	0	112.9
171	L	29	Very low	26.3	Very low	159 Å²	159	147.1 Å²	147.1	83%	0.832	74%	0.738	S	S	*	*			cis	-124.3	143.3	11.5	-65.5	91.3	0	0	0	110.5
172	K	23.7	Very low	26.4	Very low	191 Å²	191	146.1 Å²	146.1	83%	0.83	74%	0.738	S	S	*	*				82.4	133	64.3	-113.5	-170.4	-178	-171.9	0	114.8
173	P	26	Very low	26.6	Very low	118 Å²	118	146.1 Å²	146.1	77%	0.766	74%	0.743	S	S	*	*			trans	-108.8	170.6	-164.5	42.1	-36	0	0	0	115.5
174	Q	26.7	Very low	26.8	Very low	190 Å²	190	147.7 Å²	147.7	89%	0.888	75%	0.751	S	S	*	*			trans	-141.4	157.5	160.3	-75.8	-164.6	-10.3	0	0	112.5
175	V	23.6	Very low	26.8	Very low	138 Å²	138	151.6 Å²	151.6	84%	0.836	77%	0.765	S	S	*	*			trans	-117.3	130.1	178.3	172.2	0	0	0	0	108.8
176	L	26.8	Very low	26.7	Very low	170 Å²	170	150.5 Å²	150.5	89%	0.89	77%	0.767	S	S	*	*			trans	-140.8	167.7	163.8	-92.2	176.3	0	0	0	111.3
177	K	23.8	Very low	26.7	Very low	194 Å²	194	151.4 Å²	151.4	84%	0.843	77%	0.772	S	S	*	*			trans	-106.4	172.3	-164.5	-103.5	-177.4	178.6	-178.3	0	112.6
178	P	32.8	Very low	26.8	Very low	104 Å²	104	153.3 Å²	153.3	68%	0.675	78%	0.784	S	S	*	*			trans	-83.2	160.6	-157.4	35.2	-38.5	0	0	0	114.4
179	D	25.5	Very low	26.6	Very low	143 Å²	143	151.8 Å²	151.8	77%	0.765	78%	0.784	S	S	*	*				-178.8	169.4	113.2	-90.9	-19.8	0	0	0	113.2
180	N	28.2	Very low	26.6	Very low	133 Å²	133	148.3 Å²	148.3	71%	0.711	78%	0.782	S	S	*	*			trans	65	82.9	161.3	-65.4	-41.8	0	0	0	121
181	I	26.5	Very low	26.6	Very low	87 Å²	87	150 Å²	150	45%	0.446	79%	0.786	S	S	.	*				36.5	108.5	109.5	-51.1	158.2	0	0	0	116.9	M333	I181-M333 HydrophobicContact CD1-CB 3.95Å
182	N	27.1	Very low	26.4	Very low	126 Å²	126	146.7 Å²	146.7	67%	0.674	78%	0.781	S	S	*	*				-168.2	145.4	109.7	-103.4	-63.6	0	0	0	113.5
183	N	26.9	Very low	26.4	Very low	138 Å²	138	145 Å²	145	74%	0.738	78%	0.781	S	S	*	*			trans	1.9	118.3	159.7	-49	-26.3	0	0	0	119
184	D	29.9	Very low	26.4	Very low	164 Å²	164	145 Å²	145	88%	0.877	78%	0.784	S	S	*	*				-149.8	132.5	105.7	-118.4	-25.9	0	0	0	110.6
185	M	24.9	Very low	26.4	Very low	175 Å²	175	140.1 Å²	140.1	86%	0.862	77%	0.767	S	S	*	*			trans	-147.9	93.2	-172.4	-101.3	-80.2	-80.7	0	0	110.8
186	N	25.6	Very low	26.5	Very low	157 Å²	157	136.9 Å²	136.9	84%	0.84	75%	0.747	S	S	*	*			trans	-157.9	162.8	162.3	-97.6	-39.7	0	0	0	110.1
187	N	26.1	Very low	26.5	Very low	146 Å²	146	133.6 Å²	133.6	78%	0.781	74%	0.739	S	S	*	*			trans	72.7	75.9	176.7	-57.8	-21.9	0	0	0	117.6
188	T	29.2	Very low	26.6	Very low	132 Å²	132	132.4 Å²	132.4	81%	0.81	73%	0.734	S	S	*	*			trans	-143.3	115.4	131.7	-61.7	0	0	0	0	108.9	L190	T188-L190 PolarHBondContact O-N 3.25Å
189	L	23.6	Very low	26.3	Very low	150 Å²	150	131 Å²	131	79%	0.785	73%	0.726	S	S	*	*			trans	-68.8	127.1	173.2	-90.5	66	0	0	0	109.7
190	L	27	Very low	26.5	Very low	165 Å²	165	128.9 Å²	128.9	86%	0.864	72%	0.721	S	S	*	*			trans	-123.2	115.6	159.5	-96.9	165.8	0	0	0	108.6	T188 A192	T188-L190 PolarHBondContact O-N 3.25Å; L190-A192 PolarHBondContact O-N 2.8Å
191	H	26.8	Very low	26.5	Very low	171 Å²	171	128.5 Å²	128.5	79%	0.792	71%	0.713	S	S	*	*			trans	-63.4	119.8	-176.4	-110	-92.9	0	0	0	111.2
192	A	23.7	Very low	26.6	Very low	88 Å²	88	133.1 Å²	133.1	73%	0.727	73%	0.726	S	S	*	*			trans	-76.7	125.6	160.9	0	0	0	0	0	109.2	L190	L190-A192 PolarHBondContact O-N 2.8Å
193	N	23.3	Very low	26.6	Very low	155 Å²	155	137.1 Å²	137.1	83%	0.829	73%	0.733	S	S	*	*			trans	-176.5	85.9	157.4	-99.2	-16.1	0	0	0	111.2
194	S	25.8	Very low	26.7	Very low	118 Å²	118	133.1 Å²	133.1	83%	0.825	72%	0.716	S	S	*	*			trans	-158.8	88.9	160.1	54.8	0	0	0	0	109.7
195	V	27.6	Very low	26.7	Very low	89 Å²	89	130 Å²	130	54%	0.539	70%	0.702	S	S	.	*			trans	-77.2	152.6	174.8	176.5	0	0	0	0	110.2	E55	E55-V195 HydrophobicContact CG-CG1 3.74Å
196	T	25.1	Very low	26.8	Very low	69 Å²	69	127 Å²	127	42%	0.423	68%	0.683	S	S	.	*			trans	-81	154.4	-161.9	53.8	0	0	0	0	115.6	F198	T196-F198 HydrophobicContact CG2-CE2 4.17Å; T196-F198 VanDerWaalsContact OG1-CE2 3.3Å; T196-F198 WeakPolarHBondContact OG1-CE2 3.29Å
197	S	26.2	Very low	26.9	Very low	102 Å²	102	127.6 Å²	127.6	71%	0.713	68%	0.68	S	S	*	*			trans	-116.3	128.7	148.1	59.1	0	0	0	0	109.6
198	F	27.3	Very low	27.1	Very low	169 Å²	169	125.9 Å²	125.9	74%	0.741	67%	0.668	S	S	*	*			trans	-93.2	136.5	-174.8	-85.8	-98	0	0	0	112.4	T196	T196-F198 HydrophobicContact CG2-CE2 4.17Å; T196-F198 VanDerWaalsContact OG1-CE2 3.3Å; T196-F198 WeakPolarHBondContact OG1-CE2 3.29Å
199	S	26.3	Very low	26.9	Very low	73 Å²	73	126.9 Å²	126.9	51%	0.51	67%	0.668	S	S	.	*			trans	-148.3	145.5	167	-166.3	0	0	0	0	108	F201	S199-F201 PolarHBondContact O-N 3.13Å; S199-F201 VanDerWaalsContact O-N 3.09Å
200	P	30.1	Very low	27.1	Very low	100 Å²	100	127.6 Å²	127.6	65%	0.649	67%	0.672	S	S	*	*			trans	-78.2	102.1	-143.9	27.6	-35.2	0	0	0	116.1
201	F	27.9	Very low	27.2	Very low	124 Å²	124	122.9 Å²	122.9	54%	0.544	65%	0.652	S	S	.	*			trans	-72.9	129.2	148.2	-101.5	-102.7	0	0	0	109.5	S199 F658	S199-F201 PolarHBondContact O-N 3.13Å; S199-F201 VanDerWaalsContact O-N 3.09Å; F201-F658 HydrophobicContact CE2-CE1 4.32Å; F201-F658 AromaticContact CE2-CZ 3.8Å; F201-F658 HydrophobicContact CE2-CZ 3.8Å; F201-F658 AromaticContact CZ-CE1 3.85Å; F201-F658 HydrophobicContact CZ-CE1 3.85Å; F201-F658 AromaticContact CZ-CZ 3.76Å; F201-F658 HydrophobicContact CZ-CZ 3.76Å
202	Y	27.3	Very low	27.4	Very low	184 Å²	184	121.4 Å²	121.4	72%	0.722	64%	0.644	S	S	*	*			trans	-168.9	-16.6	135.9	-124.6	-82.6	0	0	0	116.1
203	Y	27.6	Very low	27.7	Very low	210 Å²	210	123.5 Å²	123.5	82%	0.824	64%	0.643	S	S	*	*	S	Bend	trans	-101.4	-4.5	-162.2	-139.9	-97.3	0	0	0	118.5
204	S	29.5	Very low	28	Very low	54 Å²	54	124.2 Å²	124.2	38%	0.378	64%	0.641	S	S	.	*	S	Bend	trans	-88.2	-15.2	-173.4	73.1	0	0	0	0	115.9	G685	S204-G685 VanDerWaalsContact CB-O 3.3Å; S204-G685 WeakPolarHBondContact CB-O 3.19Å; S204-G685 PolarHBondContact OG-O 2.92Å
205	V	30.9	Very low	28.2	Very low	98 Å²	98	126.4 Å²	126.4	59%	0.594	64%	0.638	S	S	*	*	S	Bend	trans	-89.4	-13.7	-162.3	179.8	0	0	0	0	114.2
206	Y	26.2	Very low	28.1	Very low	113 Å²	113	131.5 Å²	131.5	44%	0.443	65%	0.653	S	S	.	*	S	Bend	trans	-93	-14	-170	-154.8	-88.3	0	0	0	115.5	Q208 H226 S227 L230	Y206-Q208 PolarHBondContact O-N 2.93Å; Y206-H226 HydrophobicContact CE1-CB 4.25Å; Y206-S227 PolarHBondContact OH-O 3.46Å; Y206-L230 HydrophobicContact CE2-CB 4.32Å
207	Q	27.9	Very low	28.2	Very low	169 Å²	169	134.1 Å²	134.1	79%	0.79	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	25.2	-167.1	-70.8	-154.6	-6.5	0	0	117.2
208	Q	28.9	Very low	28.2	Very low	111 Å²	111	139.4 Å²	139.4	52%	0.519	68%	0.68	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124.3	10.1	-174.9	-84.6	-167.2	11.1	0	0	117.6	Y206	Y206-Q208 PolarHBondContact O-N 2.93Å
209	N	26	Very low	28	Very low	153 Å²	153	139.7 Å²	139.7	82%	0.818	68%	0.684	S	S	*	*	S	Bend	trans	-128.8	156.7	175	-79.4	-69.3	0	0	0	113.5
210	L	27.8	Very low	27.9	Very low	164 Å²	164	143.1 Å²	143.1	86%	0.859	70%	0.695	S	S	*	*			trans	71.6	75.5	176.4	-60.2	165.6	0	0	0	116.8
211	S	28.2	Very low	27.6	Very low	66 Å²	66	143.8 Å²	143.8	46%	0.462	70%	0.699	S	S	.	*			trans	-119.1	111.8	153.3	73.5	0	0	0	0	110.5	S615	S211-S615 PolarHBondContact OG-O 2.98Å
212	K	31.1	Very low	27.5	Very low	140 Å²	140	143.8 Å²	143.8	61%	0.609	71%	0.709	S	S	*	*			trans	157.2	102.7	156.6	-91.1	160.7	-136.6	70.8	0	111.5
213	N	30.1	Very low	27.4	Very low	133 Å²	133	143.8 Å²	143.8	71%	0.711	71%	0.709	S	S	*	*				172.2	137.4	109.6	-89.9	-15	0	0	0	112.2
214	Q	31.3	Very low	27.6	Very low	169 Å²	169	139.1 Å²	139.1	79%	0.79	71%	0.705	S	S	*	*			trans	61.5	160.7	150.9	-64.5	166.4	-2.6	0	0	119.1
215	Q	28.2	Very low	27.6	Very low	165 Å²	165	141.3 Å²	141.3	77%	0.771	71%	0.708	S	S	*	*				-156.9	142	-56.9	-124	177.4	13.8	0	0	109.8
216	K	25.7	Very low	27.5	Very low	195 Å²	195	143.1 Å²	143.1	85%	0.848	71%	0.709	S	S	*	*			trans	26.5	104.8	158.5	-61.7	178	178.3	179.6	0	119.6
217	S	28.2	Very low	27.7	Very low	125 Å²	125	140.3 Å²	140.3	87%	0.874	71%	0.706	S	S	*	*				-169.3	179.7	128.4	48.5	0	0	0	0	111.2
218	Y	26.1	Very low	27.7	Very low	213 Å²	213	135.4 Å²	135.4	84%	0.835	69%	0.689	S	S	*	*			trans	-77.5	145.9	-159.9	-82	-94.5	0	0	0	116.9
219	Q	23.4	Very low	27.9	Very low	174 Å²	174	132.8 Å²	132.8	81%	0.813	68%	0.676	S	S	*	*	S	Bend	trans	74.4	144.3	150.4	-71.5	165.7	-18.2	0	0	120.3
220	I	24.3	Very low	28.2	Very low	146 Å²	146	131.9 Å²	131.9	75%	0.749	67%	0.67	S	S	*	*			trans	63.4	113.4	-178.3	-47.3	-179	0	0	0	115.1	V222	I220-V222 HydrophobicContact CG2-CG2 4.43Å; I220-V222 PolarHBondContact O-N 3Å
221	P	24	Very low	28.5	Very low	113 Å²	113	128.8 Å²	128.8	73%	0.734	65%	0.654	S	S	*	*			trans	-79	83.8	-178.9	32.9	-35.1	0	0	0	112.5	Y223	P221-Y223 PolarHBondContact O-N 3.12Å
222	V	25.9	Very low	28.7	Very low	125 Å²	125	128.2 Å²	128.2	76%	0.758	65%	0.65	S	S	*	*			trans	-77.3	107.2	169	-177.2	0	0	0	0	109.4	I220	I220-V222 HydrophobicContact CG2-CG2 4.43Å; I220-V222 PolarHBondContact O-N 3Å
223	Y	25.3	Very low	28.9	Very low	184 Å²	184	126.9 Å²	126.9	72%	0.722	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-75.6	128.3	172	-80.6	-91.3	0	0	0	110.6	P221 F225	P221-Y223 PolarHBondContact O-N 3.12Å; Y223-F225 PolarHBondContact O-N 3.15Å
224	P	30.9	Very low	29.1	Very low	112 Å²	112	123.2 Å²	123.2	73%	0.727	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-67.2	125.4	173.7	-18.9	32	0	0	0	111.1
225	F	29.1	Very low	29.3	Very low	100 Å²	100	118.8 Å²	118.8	44%	0.439	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-82.5	132.8	167.6	-76	-108.2	0	0	0	109.3	Y223 L269 E273	Y223-F225 PolarHBondContact O-N 3.15Å; F225-L269 HydrophobicContact CD1-CD2 4.4Å; F225-L269 HydrophobicContact CE1-CD2 4.2Å; F225-E273 WeakPolarHBondContact CZ-OE1 3.31Å
226	H	28.9	Very low	29.7	Very low	136 Å²	136	115.2 Å²	115.2	63%	0.63	60%	0.602	S	S	*	*			trans	-113.6	141.8	162.9	-86.9	-70.1	0	0	0	109.2	Y206	Y206-H226 HydrophobicContact CE1-CB 4.25Å
227	S	30.8	Very low	30.3	Very low	53 Å²	53	110.5 Å²	110.5	37%	0.371	58%	0.583	S	S	.	*			trans	-73.7	137.7	-171.6	53	0	0	0	0	112.3	Y206 F229	Y206-S227 PolarHBondContact OH-O 3.46Å; S227-F229 PolarHBondContact O-N 3.29Å
228	P	27.6	Very low	30.8	Very low	66 Å²	66	110.4 Å²	110.4	43%	0.429	57%	0.569	S	S	.	*	S	Bend	trans	-80.7	34.2	-171.5	33.4	-36.4	0	0	0	114.1	L269	P228-L269 HydrophobicContact CG-CD1 4.03Å
229	F	32.7	Very low	31.6	Very low	56 Å²	56	106 Å²	106	25%	0.246	56%	0.556	C	S	.	*			trans	-130.8	56.7	-172	-68.9	-71.7	0	0	0	114.3	S227 L262	S227-F229 PolarHBondContact O-N 3.29Å; F229-L262 HydrophobicContact CD1-CD2 3.65Å; F229-L262 HydrophobicContact CD1-CG 4.26Å; F229-L262 HydrophobicContact CD2-CD2 3.72Å; F229-L262 HydrophobicContact CE1-CD2 3.71Å; F229-L262 HydrophobicContact CE1-CG 4.04Å; F229-L262 HydrophobicContact CE2-CD2 3.76Å; F229-L262 HydrophobicContact CG-CD2 3.68Å; F229-L262 HydrophobicContact CZ-CB 4.47Å; F229-L262 HydrophobicContact CZ-CD2 3.77Å; F229-L262 HydrophobicContact CZ-CG 4.31Å
230	L	32.6	Very low	32.5	Very low	135 Å²	135	102.6 Å²	102.6	71%	0.707	54%	0.54	S	S	*	.			trans	-113.7	74.4	159.6	-69.1	177.7	0	0	0	110.5	Y206 S232	Y206-L230 HydrophobicContact CE2-CB 4.32Å; L230-S232 PolarHBondContact O-N 3.12Å
231	L	33.4	Very low	33.3	Very low	98 Å²	98	105.1 Å²	105.1	51%	0.513	54%	0.54	S	S	.	.			trans	-65.5	120.7	151.7	-157.4	83.1	0	0	0	105.9	T233 L235	L231-T233 PolarHBondContact O-N 3.19Å; L231-L235 HydrophobicContact CD1-CD2 4.48Å; L231-L235 HydrophobicContact CD2-CD2 4.17Å; L231-L235 HydrophobicContact CG-CD2 4.35Å
232	S	33.3	Very low	34	Very low	55 Å²	55	105.4 Å²	105.4	39%	0.385	54%	0.535	S	S	.	.			trans	-62.6	139.6	-169.9	59.4	0	0	0	0	111.5	L230 S234 L235	L230-S232 PolarHBondContact O-N 3.12Å; S232-S234 WeakPolarHBondContact CB-OG 3.47Å; S232-S234 PolarHBondContact O-N 3.49Å; S232-S234 VanDerWaalsContact O-N 3.08Å; S232-S234 PolarHBondContact OG-OG 3.14Å; S232-L235 WeakPolarHBondContact O-CB 3.35Å; S232-L235 PolarHBondContact O-N 3.17Å
233	T	34.8	Very low	34.7	Very low	111 Å²	111	108.3 Å²	108.3	68%	0.681	54%	0.541	S	S	*	.	H	α-helix	trans	-55.4	-24.9	169.2	42.3	0	0	0	0	111.8	L231 L235 F236 Q237	L231-T233 PolarHBondContact O-N 3.19Å; T233-L235 VanDerWaalsContact C-N 3.32Å; T233-L235 PolarHBondContact O-N 3.5Å; T233-F236 PolarHBondContact O-N 3.12Å; T233-Q237 WeakPolarHBondContact O-CB 3.49Å; T233-Q237 VanDerWaalsContact O-CG 3.29Å; T233-Q237 WeakPolarHBondContact O-CG 3.31Å; T233-Q237 PolarHBondContact O-N 3.46Å
234	S	34.5	Very low	35.3	Very low	56 Å²	56	106.6 Å²	106.6	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-59.9	-35.3	170.9	75	0	0	0	0	113.3	S232 Q237 Q238	S232-S234 WeakPolarHBondContact CB-OG 3.47Å; S232-S234 PolarHBondContact O-N 3.49Å; S232-S234 VanDerWaalsContact O-N 3.08Å; S232-S234 PolarHBondContact OG-OG 3.14Å; S234-Q237 PolarHBondContact O-N 3.44Å; S234-Q238 WeakPolarHBondContact O-CB 3.32Å; S234-Q238 PolarHBondContact O-N 2.99Å
235	L	36.6	Very low	35.5	Very low	76 Å²	76	106.9 Å²	106.9	40%	0.398	53%	0.534	S	S	.	.	H	α-helix	trans	-68	-42.8	179.2	-140	86	0	0	0	110.8	L231 S232 T233 Q238 Q239	L231-L235 HydrophobicContact CD1-CD2 4.48Å; L231-L235 HydrophobicContact CD2-CD2 4.17Å; L231-L235 HydrophobicContact CG-CD2 4.35Å; S232-L235 WeakPolarHBondContact O-CB 3.35Å; S232-L235 PolarHBondContact O-N 3.17Å; T233-L235 VanDerWaalsContact C-N 3.32Å; T233-L235 PolarHBondContact O-N 3.5Å; L235-Q238 PolarHBondContact O-N 3.09Å; L235-Q239 PolarHBondContact O-N 3Å
236	F	36	Very low	35.9	Very low	91 Å²	91	109.9 Å²	109.9	40%	0.399	55%	0.547	S	S	.	.	H	α-helix	trans	-64	-44.1	175.8	-158.7	-97	0	0	0	111.2	T233 H240	T233-F236 PolarHBondContact O-N 3.12Å; F236-H240 AromaticContact CD1-CD2 3.87Å; F236-H240 AromaticContact CE1-CD2 3.63Å; F236-H240 AromaticContact CE1-NE2 3.71Å; F236-H240 AromaticContact CZ-NE2 3.94Å; F236-H240 WeakPolarHBondContact O-CB 3.28Å; F236-H240 PolarHBondContact O-N 3.38Å
237	Q	38.2	Very low	36.5	Very low	95 Å²	95	110.8 Å²	110.8	44%	0.444	55%	0.549	S	S	.	.	H	α-helix	trans	-67.1	-32.5	174.7	-71.6	173.5	-9.1	0	0	113.5	T233 S234 R241	T233-Q237 WeakPolarHBondContact O-CB 3.49Å; T233-Q237 VanDerWaalsContact O-CG 3.29Å; T233-Q237 WeakPolarHBondContact O-CG 3.31Å; T233-Q237 PolarHBondContact O-N 3.46Å; S234-Q237 PolarHBondContact O-N 3.44Å; Q237-R241 WeakPolarHBondContact O-CG 3.22Å; Q237-R241 PolarHBondContact O-N 3.48Å; Q237-R241 VanDerWaalsContact O-N 3.14Å
238	Q	39.3	Very low	36.9	Very low	123 Å²	123	113 Å²	113	58%	0.575	56%	0.564	S	S	*	*	H	α-helix	trans	-82.7	-28.5	-177	-170.1	167.9	13.2	0	0	112.6	S234 L235 N242	S234-Q238 WeakPolarHBondContact O-CB 3.32Å; S234-Q238 PolarHBondContact O-N 2.99Å; L235-Q238 PolarHBondContact O-N 3.09Å; Q238-N242 PolarHBondContact O-ND2 3.08Å
239	Q	41.3	Very low	37.6	Very low	121 Å²	121	114.3 Å²	114.3	57%	0.565	57%	0.567	S	S	*	*	H	α-helix	trans	-73.3	-43.1	165.2	-71.8	-173.8	-39	0	0	111.4	L235 R241 N242	L235-Q239 PolarHBondContact O-N 3Å; Q239-R241 PolarHBondContact O-N 2.92Å; Q239-R241 VanDerWaalsContact O-N 3.13Å; Q239-N242 PolarHBondContact O-N 3.17Å
240	H	43	Very low	38.5	Very low	102 Å²	102	113.9 Å²	113.9	47%	0.472	57%	0.572	S	S	.	*	H	α-helix	trans	-63	-18.2	174.9	-98.4	-77.3	0	0	0	115	F236 N242	F236-H240 AromaticContact CD1-CD2 3.87Å; F236-H240 AromaticContact CE1-CD2 3.63Å; F236-H240 AromaticContact CE1-NE2 3.71Å; F236-H240 AromaticContact CZ-NE2 3.94Å; F236-H240 WeakPolarHBondContact O-CB 3.28Å; F236-H240 PolarHBondContact O-N 3.38Å; H240-N242 VanDerWaalsContact C-N 3.33Å
241	R	40.4	Very low	39.4	Very low	200 Å²	200	110.2 Å²	110.2	76%	0.755	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-12.2	174.1	-85	174.9	175.8	164.6	1.6	114.3	Q237 Q239	Q237-R241 WeakPolarHBondContact O-CG 3.22Å; Q237-R241 PolarHBondContact O-N 3.48Å; Q237-R241 VanDerWaalsContact O-N 3.14Å; Q239-R241 PolarHBondContact O-N 2.92Å; Q239-R241 VanDerWaalsContact O-N 3.13Å
242	N	38.6	Very low	40.4	Very low	119 Å²	119	108.9 Å²	108.9	64%	0.636	55%	0.551	S	S	*	*	S	Bend	trans	-129.1	115.5	-176.6	-70.4	-59.9	0	0	0	111.6	Q238 Q239 H240	Q238-N242 PolarHBondContact O-ND2 3.08Å; Q239-N242 PolarHBondContact O-N 3.17Å; H240-N242 VanDerWaalsContact C-N 3.33Å
243	Q	40.7	Very low	41.5	Very low	186 Å²	186	113 Å²	113	87%	0.869	56%	0.562	S	S	*	*	S	Bend	trans	76.2	146.8	175.3	-51.6	179.7	-4.4	0	0	116.6	L245	Q243-L245 PolarHBondContact O-N 3.4Å
244	Q	38.5	Very low	42.6	Very low	148 Å²	148	111.6 Å²	111.6	69%	0.692	55%	0.55	S	S	*	*			trans	-80.6	114	-178.9	-64.4	179	1.5	0	0	110.6	K246	Q244-K246 HydrophobicContact CB-CD 4.49Å; Q244-K246 HydrophobicContact CB-CG 4.38Å; Q244-K246 PolarHBondContact O-N 3.35Å
245	L	36.1	Very low	43.5	Very low	117 Å²	117	111.9 Å²	111.9	61%	0.613	55%	0.547	S	S	*	.			trans	-73.6	63.6	174.8	-82	163.2	0	0	0	112.8	Q243 K247	Q243-L245 PolarHBondContact O-N 3.4Å; L245-K247 VanDerWaalsContact C-N 3.26Å; L245-K247 PolarHBondContact O-N 3.31Å
246	K	36.4	Very low	44.7	Very low	164 Å²	164	111.2 Å²	111.2	71%	0.713	55%	0.549	S	S	*	.			trans	-77.3	67.6	173	-78.1	172.7	165.7	161	0	111.7	Q244	Q244-K246 HydrophobicContact CB-CD 4.49Å; Q244-K246 HydrophobicContact CB-CG 4.38Å; Q244-K246 PolarHBondContact O-N 3.35Å
247	K	41.6	Very low	45.7	Very low	155 Å²	155	113.6 Å²	113.6	67%	0.674	56%	0.555	S	S	*	*			trans	178.5	120.7	158	-101.3	153.4	-173.7	-178.6	0	111.3	L245 D249 S250	L245-K247 VanDerWaalsContact C-N 3.26Å; L245-K247 PolarHBondContact O-N 3.31Å; K247-D249 VanDerWaalsContact C-N 3.28Å; K247-D249 PolarHBondContact O-N 2.89Å; K247-S250 WeakPolarHBondContact O-CB 3.47Å; K247-S250 PolarHBondContact O-N 3.08Å; K247-S250 PolarHBondContact O-OG 3.32Å
248	S	39.3	Very low	46.4	Very low	98 Å²	98	112.7 Å²	112.7	69%	0.685	55%	0.548	S	S	*	.	H	α-helix	trans	-55.2	-38	177.6	42.7	0	0	0	0	113.6	S250 L251 S252	S248-S250 PolarHBondContact O-N 3.18Å; S248-L251 PolarHBondContact O-N 3.28Å; S248-S252 PolarHBondContact O-N 2.81Å
249	D	42.2	Very low	47.5	Very low	94 Å²	94	110.6 Å²	110.6	50%	0.503	54%	0.538	S	S	.	.	H	α-helix	trans	-51.3	-31.3	177.9	-56.7	-22.9	0	0	0	113.9	K247 K253	K247-D249 VanDerWaalsContact C-N 3.28Å; K247-D249 PolarHBondContact O-N 2.89Å; D249-K253 WeakPolarHBondContact O-CB 3.29Å; D249-K253 WeakPolarHBondContact O-CD 3.49Å; D249-K253 VanDerWaalsContact O-CG 3.25Å; D249-K253 WeakPolarHBondContact O-CG 3.32Å; D249-K253 PolarHBondContact O-N 3.39Å
250	S	52	Low	48.5	Very low	48 Å²	48	106.6 Å²	106.6	34%	0.336	52%	0.521	S	S	.	.	H	α-helix	trans	-69.4	-40.9	-179.1	66.2	0	0	0	0	112	K247 S248 L254	K247-S250 WeakPolarHBondContact O-CB 3.47Å; K247-S250 PolarHBondContact O-N 3.08Å; K247-S250 PolarHBondContact O-OG 3.32Å; S248-S250 PolarHBondContact O-N 3.18Å; S250-L254 WeakPolarHBondContact O-CB 3.48Å; S250-L254 PolarHBondContact O-N 3.43Å
251	L	51.3	Low	49	Very low	57 Å²	57	105 Å²	105	30%	0.298	52%	0.52	S	S	.	.	H	α-helix	trans	-71	-42.7	177.1	-175.2	62.8	0	0	0	110.9	S248 K253 L254 L255	S248-L251 PolarHBondContact O-N 3.28Å; L251-K253 VanDerWaalsContact C-N 3.35Å; L251-K253 PolarHBondContact O-N 3.08Å; L251-L254 PolarHBondContact O-N 3.04Å; L251-L254 VanDerWaalsContact O-N 3.14Å; L251-L255 HydrophobicContact CD1-CD1 4.44Å; L251-L255 HydrophobicContact CD1-CG 4.4Å; L251-L255 HydrophobicContact CG-CD1 4.06Å; L251-L255 HydrophobicContact CG-CG 4.45Å; L251-L255 WeakPolarHBondContact O-CB 3.47Å; L251-L255 WeakPolarHBondContact O-CG 3.4Å; L251-L255 PolarHBondContact O-N 3.34Å
252	S	53.9	Low	49.7	Very low	71 Å²	71	96.6 Å²	96.6	50%	0.497	49%	0.49	S	S	.	.	H	α-helix	trans	-57.7	-44.9	174.9	172.5	0	0	0	0	112.2	S248 S256	S248-S252 PolarHBondContact O-N 2.81Å; S252-S256 VanDerWaalsContact O-CB 3.31Å; S252-S256 WeakPolarHBondContact O-CB 3.36Å; S252-S256 PolarHBondContact O-N 3.36Å; S252-S256 PolarHBondContact O-OG 2.94Å
253	K	57.5	Low	50.5	Low	141 Å²	141	93.1 Å²	93.1	61%	0.613	47%	0.47	S	S	*	.	H	α-helix	trans	-66.3	-35.4	175	-73	168.4	-177.1	171.8	0	112.7	D249 L251 R257	D249-K253 WeakPolarHBondContact O-CB 3.29Å; D249-K253 WeakPolarHBondContact O-CD 3.49Å; D249-K253 VanDerWaalsContact O-CG 3.25Å; D249-K253 WeakPolarHBondContact O-CG 3.32Å; D249-K253 PolarHBondContact O-N 3.39Å; L251-K253 VanDerWaalsContact C-N 3.35Å; L251-K253 PolarHBondContact O-N 3.08Å; K253-R257 WeakPolarHBondContact O-CG 3.45Å; K253-R257 PolarHBondContact O-N 3.28Å
254	L	56.3	Low	51.5	Low	81 Å²	81	87.8 Å²	87.8	42%	0.424	45%	0.447	S	S	.	.	H	α-helix	trans	-68.8	-45.9	176.3	-174.7	63.5	0	0	0	112	S250 L251 R257 Y258	S250-L254 WeakPolarHBondContact O-CB 3.48Å; S250-L254 PolarHBondContact O-N 3.43Å; L251-L254 PolarHBondContact O-N 3.04Å; L251-L254 VanDerWaalsContact O-N 3.14Å; L254-R257 PolarHBondContact O-N 3.18Å; L254-Y258 PolarHBondContact O-N 2.85Å
255	L	54.4	Low	52	Low	63 Å²	63	81.7 Å²	81.7	33%	0.33	42%	0.424	S	S	.	.	H	α-helix	trans	-62.8	-41.3	175.6	-69.6	170.6	0	0	0	111.5	L251 R257 Y258 H259 T314	L251-L255 HydrophobicContact CD1-CD1 4.44Å; L251-L255 HydrophobicContact CD1-CG 4.4Å; L251-L255 HydrophobicContact CG-CD1 4.06Å; L251-L255 HydrophobicContact CG-CG 4.45Å; L251-L255 WeakPolarHBondContact O-CB 3.47Å; L251-L255 WeakPolarHBondContact O-CG 3.4Å; L251-L255 PolarHBondContact O-N 3.34Å; L255-R257 PolarHBondContact O-N 2.97Å; L255-Y258 PolarHBondContact O-N 3.23Å; L255-H259 PolarHBondContact O-N 2.9Å; L255-T314 HydrophobicContact CD1-CG2 3.82Å
256	S	62	Low	52.9	Low	61 Å²	61	79.9 Å²	79.9	43%	0.427	41%	0.412	S	S	.	.	H	α-helix	trans	-62.5	-39.5	174.5	-60.2	0	0	0	0	112.5	S252 N260	S252-S256 VanDerWaalsContact O-CB 3.31Å; S252-S256 WeakPolarHBondContact O-CB 3.36Å; S252-S256 PolarHBondContact O-N 3.36Å; S252-S256 PolarHBondContact O-OG 2.94Å; S256-N260 WeakPolarHBondContact O-CB 3.41Å; S256-N260 PolarHBondContact O-N 2.86Å; S256-N260 PolarHBondContact O-ND2 3.38Å
257	R	55.9	Low	54.1	Low	142 Å²	142	76.5 Å²	76.5	54%	0.536	40%	0.395	S	S	.	.	H	α-helix	trans	-64.8	-41.5	172.4	-77	175.3	173.3	-170.5	-4.1	111.4	K253 L254 L255 N260 C261	K253-R257 WeakPolarHBondContact O-CG 3.45Å; K253-R257 PolarHBondContact O-N 3.28Å; L254-R257 PolarHBondContact O-N 3.18Å; L255-R257 PolarHBondContact O-N 2.97Å; R257-N260 PolarHBondContact O-N 2.94Å; R257-C261 PolarHBondContact O-N 3.49Å; R257-C261 PolarHBondContact O-SG 3.04Å; R257-C261 VanDerWaalsContact O-SG 3.35Å
258	Y	53.8	Low	55	Low	76 Å²	76	73.2 Å²	73.2	30%	0.298	39%	0.387	S	S	.	.	H	α-helix	trans	-64.4	-45.8	178.2	-176.7	-103.3	0	0	0	113	L254 L255 N260 C261 L262 L310	L254-Y258 PolarHBondContact O-N 2.85Å; L255-Y258 PolarHBondContact O-N 3.23Å; Y258-N260 VanDerWaalsContact C-N 3.32Å; Y258-N260 PolarHBondContact O-N 3.31Å; Y258-C261 WeakPolarHBondContact O-CB 3.43Å; Y258-C261 PolarHBondContact O-N 2.86Å; Y258-L262 HydrophobicContact CD1-CD1 3.85Å; Y258-L262 HydrophobicContact CE1-CD1 3.55Å; Y258-L262 HydrophobicContact CE1-CG 4.36Å; Y258-L262 PolarHBondContact O-N 2.89Å; Y258-L310 HydrophobicContact CE1-CD1 4.01Å
259	H	63.1	Low	55.9	Low	79 Å²	79	71 Å²	71	37%	0.366	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-36.7	176.1	-174.7	82.2	0	0	0	112.6	L255 L262 Q263	L255-H259 PolarHBondContact O-N 2.9Å; H259-L262 WeakPolarHBondContact O-CB 3.22Å; H259-L262 PolarHBondContact O-N 2.88Å; H259-Q263 PolarHBondContact NE2-NE2 3.08Å; H259-Q263 PolarHBondContact O-N 3.16Å; H259-Q263 VanDerWaalsContact O-N 3.14Å
260	N	60.5	Low	57	Low	37 Å²	37	71.8 Å²	71.8	20%	0.198	37%	0.368	C	S	.	.	H	α-helix	trans	-66.2	-39.4	173.5	-77.7	-49	0	0	0	112.7	N60 S256 R257 Y258 L262 Q263 I264	N60-N260 HydrophobicContact CB-CB 4.34Å; N60-N260 VanDerWaalsContact CB-CG 3.49Å; N60-N260 WeakPolarHBondContact CB-OD1 3.31Å; S256-N260 WeakPolarHBondContact O-CB 3.41Å; S256-N260 PolarHBondContact O-N 2.86Å; S256-N260 PolarHBondContact O-ND2 3.38Å; R257-N260 PolarHBondContact O-N 2.94Å; Y258-N260 VanDerWaalsContact C-N 3.32Å; Y258-N260 PolarHBondContact O-N 3.31Å; N260-L262 VanDerWaalsContact C-N 3.31Å; N260-L262 PolarHBondContact O-N 3.06Å; N260-Q263 PolarHBondContact O-N 2.85Å; N260-I264 WeakPolarHBondContact O-CD1 3.44Å; N260-I264 VanDerWaalsContact O-CG1 3.27Å; N260-I264 WeakPolarHBondContact O-CG1 3.48Å; N260-I264 PolarHBondContact O-N 2.89Å
261	C	55	Low	57.6	Low	68 Å²	68	78.9 Å²	78.9	46%	0.459	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-36.4	172.9	-69.1	0	0	0	0	112.6	R257 Y258 G265	R257-C261 PolarHBondContact O-N 3.49Å; R257-C261 PolarHBondContact O-SG 3.04Å; R257-C261 VanDerWaalsContact O-SG 3.35Å; Y258-C261 WeakPolarHBondContact O-CB 3.43Å; Y258-C261 PolarHBondContact O-N 2.86Å; C261-G265 PolarHBondContact O-N 3.39Å
262	L	54.1	Low	58	Low	24 Å²	24	79.4 Å²	79.4	13%	0.126	39%	0.393	C	S	.	.	H	α-helix	trans	-58.9	-56.8	173.1	-79	159.7	0	0	0	111.3	F229 Y258 H259 N260 I264 G265 E266	F229-L262 HydrophobicContact CD1-CD2 3.65Å; F229-L262 HydrophobicContact CD1-CG 4.26Å; F229-L262 HydrophobicContact CD2-CD2 3.72Å; F229-L262 HydrophobicContact CE1-CD2 3.71Å; F229-L262 HydrophobicContact CE1-CG 4.04Å; F229-L262 HydrophobicContact CE2-CD2 3.76Å; F229-L262 HydrophobicContact CG-CD2 3.68Å; F229-L262 HydrophobicContact CZ-CB 4.47Å; F229-L262 HydrophobicContact CZ-CD2 3.77Å; F229-L262 HydrophobicContact CZ-CG 4.31Å; Y258-L262 HydrophobicContact CD1-CD1 3.85Å; Y258-L262 HydrophobicContact CE1-CD1 3.55Å; Y258-L262 HydrophobicContact CE1-CG 4.36Å; Y258-L262 PolarHBondContact O-N 2.89Å; H259-L262 WeakPolarHBondContact O-CB 3.22Å; H259-L262 PolarHBondContact O-N 2.88Å; N260-L262 VanDerWaalsContact C-N 3.31Å; N260-L262 PolarHBondContact O-N 3.06Å; L262-I264 VanDerWaalsContact C-N 3.3Å; L262-I264 PolarHBondContact O-N 3.44Å; L262-G265 PolarHBondContact O-N 3.41Å; L262-E266 PolarHBondContact O-N 3.36Å
263	Q	55.8	Low	58.6	Low	45 Å²	45	77.7 Å²	77.7	21%	0.21	38%	0.378	C	S	.	.	H	α-helix	trans	-60.8	-34.6	-179.5	-68.2	-167.9	17.4	0	0	113.8	H259 N260 R267	H259-Q263 PolarHBondContact NE2-NE2 3.08Å; H259-Q263 PolarHBondContact O-N 3.16Å; H259-Q263 VanDerWaalsContact O-N 3.14Å; N260-Q263 PolarHBondContact O-N 2.85Å; Q263-R267 WeakPolarHBondContact O-CG 3.36Å; Q263-R267 PolarHBondContact O-N 3.46Å
264	I	60.9	Low	59.2	Low	75 Å²	75	75.2 Å²	75.2	39%	0.385	37%	0.371	S	S	.	.	H	α-helix	trans	-67.6	-42.5	176	-69.1	166.3	0	0	0	109.9	N260 L262 E266 R267 V268	N260-I264 WeakPolarHBondContact O-CD1 3.44Å; N260-I264 VanDerWaalsContact O-CG1 3.27Å; N260-I264 WeakPolarHBondContact O-CG1 3.48Å; N260-I264 PolarHBondContact O-N 2.89Å; L262-I264 VanDerWaalsContact C-N 3.3Å; L262-I264 PolarHBondContact O-N 3.44Å; I264-E266 PolarHBondContact O-N 3.49Å; I264-R267 PolarHBondContact O-N 3.21Å; I264-V268 WeakPolarHBondContact O-CG2 3.29Å; I264-V268 PolarHBondContact O-N 3.26Å; I264-V268 VanDerWaalsContact O-N 3.12Å
265	G	50	Low	59.8	Low	20 Å²	20	77 Å²	77	21%	0.206	37%	0.372	C	S	.	.	H	α-helix	trans	-58.6	-46.3	176.3	0	0	0	0	0	112.9	C261 L262 R267 V268 L269	C261-G265 PolarHBondContact O-N 3.39Å; L262-G265 PolarHBondContact O-N 3.41Å; G265-R267 PolarHBondContact O-N 3.39Å; G265-V268 PolarHBondContact O-N 3.18Å; G265-L269 PolarHBondContact O-N 3.46Å
266	E	55.5	Low	60.3	Low	79 Å²	79	81.2 Å²	81.2	37%	0.369	38%	0.383	S	S	.	.	H	α-helix	trans	-57.6	-48.7	176.5	-69.2	-176.6	120.3	0	0	112.4	L262 I264 V268 L269 Q270 I303	L262-E266 PolarHBondContact O-N 3.36Å; I264-E266 PolarHBondContact O-N 3.49Å; E266-V268 VanDerWaalsContact C-N 3.3Å; E266-V268 PolarHBondContact O-N 3.26Å; E266-L269 WeakPolarHBondContact O-CB 3.44Å; E266-L269 PolarHBondContact O-N 3.11Å; E266-L269 VanDerWaalsContact O-N 3.16Å; E266-Q270 PolarHBondContact O-N 3.26Å; E266-I303 HydrophobicContact CG-CD1 4.19Å; E266-I303 VanDerWaalsContact OE1-CD1 3.29Å; E266-I303 WeakPolarHBondContact OE1-CD1 3.47Å
267	R	61.1	Low	60.5	Low	93 Å²	93	81 Å²	81	35%	0.351	38%	0.376	S	S	.	.	H	α-helix	trans	-64	-34.1	-179.2	-66.2	-179.3	-136.1	-177.8	6.8	112.6	Q263 I264 G265 R271	Q263-R267 WeakPolarHBondContact O-CG 3.36Å; Q263-R267 PolarHBondContact O-N 3.46Å; I264-R267 PolarHBondContact O-N 3.21Å; G265-R267 PolarHBondContact O-N 3.39Å; R267-R271 WeakPolarHBondContact O-CB 3.48Å; R267-R271 VanDerWaalsContact O-CG 3.31Å; R267-R271 WeakPolarHBondContact O-CG 3.27Å; R267-R271 PolarHBondContact O-N 3.45Å; R267-R271 VanDerWaalsContact O-N 3.15Å
268	V	60.6	Low	61.1	Low	86 Å²	86	79.1 Å²	79.1	52%	0.521	37%	0.373	S	S	.	.	H	α-helix	trans	-69.7	-43.1	174	172.7	0	0	0	0	110.6	I264 G265 E266 R271 T272	I264-V268 WeakPolarHBondContact O-CG2 3.29Å; I264-V268 PolarHBondContact O-N 3.26Å; I264-V268 VanDerWaalsContact O-N 3.12Å; G265-V268 PolarHBondContact O-N 3.18Å; E266-V268 VanDerWaalsContact C-N 3.3Å; E266-V268 PolarHBondContact O-N 3.26Å; V268-R271 PolarHBondContact O-N 2.92Å; V268-T272 WeakPolarHBondContact O-CB 3.49Å; V268-T272 PolarHBondContact O-N 2.89Å; V268-T272 PolarHBondContact O-OG1 3.11Å
269	L	58.7	Low	61.9	Low	51 Å²	51	80 Å²	80	27%	0.267	38%	0.382	S	S	.	.	H	α-helix	trans	-60	-49.8	176.6	-117.1	155.4	0	0	0	111.4	F225 P228 G265 E266 R271 T272 E273	F225-L269 HydrophobicContact CD1-CD2 4.4Å; F225-L269 HydrophobicContact CE1-CD2 4.2Å; P228-L269 HydrophobicContact CG-CD1 4.03Å; G265-L269 PolarHBondContact O-N 3.46Å; E266-L269 WeakPolarHBondContact O-CB 3.44Å; E266-L269 PolarHBondContact O-N 3.11Å; E266-L269 VanDerWaalsContact O-N 3.16Å; L269-R271 PolarHBondContact O-N 2.98Å; L269-T272 WeakPolarHBondContact O-CA 3.46Å; L269-T272 WeakPolarHBondContact O-CB 3.48Å; L269-T272 PolarHBondContact O-N 3.4Å; L269-E273 VanDerWaalsContact O-CG 3.31Å; L269-E273 WeakPolarHBondContact O-CG 3.21Å; L269-E273 PolarHBondContact O-N 2.95Å
270	Q	65	Low	62.1	Low	111 Å²	111	77.3 Å²	77.3	52%	0.519	37%	0.374	S	S	.	.	H	α-helix	trans	-64.7	-39.5	-179	-164.9	175.4	19.5	0	0	112.6	E266 T272 E273 N274	E266-Q270 PolarHBondContact O-N 3.26Å; Q270-T272 VanDerWaalsContact C-N 3.31Å; Q270-T272 PolarHBondContact O-N 2.97Å; Q270-E273 PolarHBondContact O-N 3.45Å; Q270-N274 WeakPolarHBondContact O-CB 3.4Å; Q270-N274 VanDerWaalsContact O-CG 3.22Å; Q270-N274 PolarHBondContact O-N 3.18Å; Q270-N274 PolarHBondContact O-OD1 3.42Å
271	R	65.3	Low	62.4	Low	197 Å²	197	78.5 Å²	78.5	74%	0.743	38%	0.379	S	S	*	.	H	α-helix	trans	-62.7	-36.9	170.7	-76.2	176.2	174.3	-174.1	-2	112.6	R267 V268 L269 R275	R267-R271 WeakPolarHBondContact O-CB 3.48Å; R267-R271 VanDerWaalsContact O-CG 3.31Å; R267-R271 WeakPolarHBondContact O-CG 3.27Å; R267-R271 PolarHBondContact O-N 3.45Å; R267-R271 VanDerWaalsContact O-N 3.15Å; V268-R271 PolarHBondContact O-N 2.92Å; L269-R271 PolarHBondContact O-N 2.98Å; R271-R275 WeakPolarHBondContact O-CB 3.41Å; R271-R275 PolarHBondContact O-N 3.23Å
272	T	59.7	Low	63.2	Low	68 Å²	68	82.4 Å²	82.4	42%	0.417	39%	0.388	S	S	.	.	H	α-helix	trans	-68.9	-41.2	178.5	-52.9	0	0	0	0	111.7	V268 L269 Q270 R276	V268-T272 WeakPolarHBondContact O-CB 3.49Å; V268-T272 PolarHBondContact O-N 2.89Å; V268-T272 PolarHBondContact O-OG1 3.11Å; L269-T272 WeakPolarHBondContact O-CA 3.46Å; L269-T272 WeakPolarHBondContact O-CB 3.48Å; L269-T272 PolarHBondContact O-N 3.4Å; Q270-T272 VanDerWaalsContact C-N 3.31Å; Q270-T272 PolarHBondContact O-N 2.97Å; T272-R276 WeakPolarHBondContact O-CB 3.48Å; T272-R276 WeakPolarHBondContact O-CG 3.5Å; T272-R276 PolarHBondContact O-N 2.97Å
273	E	65.2	Low	64.1	Low	35 Å²	35	86.7 Å²	86.7	16%	0.164	41%	0.408	C	S	.	.	H	α-helix	trans	-62.1	-51.1	174	-66.4	-98.5	91.4	0	0	111.1	F225 L269 Q270 R275 R276 H277 V295	F225-E273 WeakPolarHBondContact CZ-OE1 3.31Å; L269-E273 VanDerWaalsContact O-CG 3.31Å; L269-E273 WeakPolarHBondContact O-CG 3.21Å; L269-E273 PolarHBondContact O-N 2.95Å; Q270-E273 PolarHBondContact O-N 3.45Å; E273-R275 PolarHBondContact O-N 3.36Å; E273-R276 WeakPolarHBondContact O-CB 3.37Å; E273-R276 PolarHBondContact O-N 2.76Å; E273-H277 PolarHBondContact O-N 3.36Å; E273-V295 WeakPolarHBondContact OE2-CG1 3.47Å
274	N	71.2	Confident	64	Low	89 Å²	89	91.9 Å²	91.9	48%	0.476	44%	0.437	S	S	.	.	H	α-helix	trans	-59.1	-46.8	179	-69.8	8.2	0	0	0	111.7	Q270 R276 H277 E278	Q270-N274 WeakPolarHBondContact O-CB 3.4Å; Q270-N274 VanDerWaalsContact O-CG 3.22Å; Q270-N274 PolarHBondContact O-N 3.18Å; Q270-N274 PolarHBondContact O-OD1 3.42Å; N274-R276 VanDerWaalsContact C-N 3.31Å; N274-R276 PolarHBondContact O-N 2.92Å; N274-H277 WeakPolarHBondContact O-CB 3.5Å; N274-H277 PolarHBondContact O-N 3.45Å; N274-H277 VanDerWaalsContact O-N 3.11Å; N274-E278 PolarHBondContact O-N 3.42Å
275	R	68.2	Low	63.9	Low	117 Å²	117	95.1 Å²	95.1	44%	0.442	45%	0.448	S	S	.	.	H	α-helix	trans	-68	-29.2	179.3	-161.9	171	-175.8	-177.1	-0.8	112.4	R271 E273 L279	R271-R275 WeakPolarHBondContact O-CB 3.41Å; R271-R275 PolarHBondContact O-N 3.23Å; E273-R275 PolarHBondContact O-N 3.36Å; R275-L279 WeakPolarHBondContact O-CB 3.35Å; R275-L279 WeakPolarHBondContact O-CD1 3.43Å; R275-L279 VanDerWaalsContact O-CG 3.24Å; R275-L279 WeakPolarHBondContact O-CG 3.29Å; R275-L279 PolarHBondContact O-N 3.36Å; R275-L279 VanDerWaalsContact O-N 3.11Å
276	R	64.1	Low	63.8	Low	152 Å²	152	97.1 Å²	97.1	57%	0.574	45%	0.454	S	S	*	.	H	α-helix	trans	-66.1	-42.1	168.2	-84.8	175.4	162.4	178.6	-5.1	112.2	T272 E273 N274 L279 A280	T272-R276 WeakPolarHBondContact O-CB 3.48Å; T272-R276 WeakPolarHBondContact O-CG 3.5Å; T272-R276 PolarHBondContact O-N 2.97Å; E273-R276 WeakPolarHBondContact O-CB 3.37Å; E273-R276 PolarHBondContact O-N 2.76Å; N274-R276 VanDerWaalsContact C-N 3.31Å; N274-R276 PolarHBondContact O-N 2.92Å; R276-L279 PolarHBondContact O-N 2.94Å; R276-A280 WeakPolarHBondContact O-CB 3.32Å; R276-A280 PolarHBondContact O-N 2.88Å
277	H	67	Low	63.6	Low	57 Å²	57	97.9 Å²	97.9	26%	0.264	47%	0.465	S	S	.	.	H	α-helix	trans	-65.9	-44	178	-167.4	37.3	0	0	0	111.5	E273 N274 L279 A280 M281	E273-H277 PolarHBondContact O-N 3.36Å; N274-H277 WeakPolarHBondContact O-CB 3.5Å; N274-H277 PolarHBondContact O-N 3.45Å; N274-H277 VanDerWaalsContact O-N 3.11Å; H277-L279 VanDerWaalsContact C-N 3.34Å; H277-L279 PolarHBondContact O-N 3.08Å; H277-A280 PolarHBondContact O-N 2.97Å; H277-M281 VanDerWaalsContact CE1-CE 3.48Å; H277-M281 WeakPolarHBondContact CE1-CE 3.18Å; H277-M281 WeakPolarHBondContact O-CB 3.13Å; H277-M281 VanDerWaalsContact O-CG 3.27Å; H277-M281 WeakPolarHBondContact O-CG 3.37Å; H277-M281 PolarHBondContact O-N 3.18Å
278	E	69.1	Low	63	Low	102 Å²	102	101.5 Å²	101.5	48%	0.477	49%	0.486	S	S	.	.	H	α-helix	trans	-56	-43.7	171.5	-78.4	-172.3	-143.1	0	0	113.2	N274 K282	N274-E278 PolarHBondContact O-N 3.42Å; E278-K282 WeakPolarHBondContact O-CB 3.46Å; E278-K282 WeakPolarHBondContact O-CD 3.4Å; E278-K282 VanDerWaalsContact O-CG 3.27Å; E278-K282 WeakPolarHBondContact O-CG 3.32Å; E278-K282 PolarHBondContact O-N 3.45Å; E278-K282 IonicContact OE2-NZ 2.75Å; E278-K282 PolarHBondContact OE2-NZ 3.43Å
279	L	69.6	Low	62.6	Low	94 Å²	94	104.5 Å²	104.5	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-68.4	-41.9	179	-73.5	168.6	0	0	0	111.3	R275 R276 H277 M281 K282 E283	R275-L279 WeakPolarHBondContact O-CB 3.35Å; R275-L279 WeakPolarHBondContact O-CD1 3.43Å; R275-L279 VanDerWaalsContact O-CG 3.24Å; R275-L279 WeakPolarHBondContact O-CG 3.29Å; R275-L279 PolarHBondContact O-N 3.36Å; R275-L279 VanDerWaalsContact O-N 3.11Å; R276-L279 PolarHBondContact O-N 2.94Å; H277-L279 VanDerWaalsContact C-N 3.34Å; H277-L279 PolarHBondContact O-N 3.08Å; L279-M281 VanDerWaalsContact C-N 3.33Å; L279-M281 PolarHBondContact O-N 3.09Å; L279-K282 PolarHBondContact O-N 3.37Å; L279-E283 WeakPolarHBondContact O-CB 3.45Å; L279-E283 WeakPolarHBondContact O-CG 3.27Å; L279-E283 PolarHBondContact O-N 3.14Å
280	A	67.8	Low	62.2	Low	23 Å²	23	107.2 Å²	107.2	19%	0.19	51%	0.511	C	S	.	.	H	α-helix	trans	-65.2	-34.7	176.6	0	0	0	0	0	113	R276 H277 K285 L286	R276-A280 WeakPolarHBondContact O-CB 3.32Å; R276-A280 PolarHBondContact O-N 2.88Å; H277-A280 PolarHBondContact O-N 2.97Å; A280-K285 PolarHBondContact O-N 3.47Å; A280-L286 HydrophobicContact CB-CD1 3.87Å; A280-L286 HydrophobicContact CB-CG 4.38Å
281	M	67	Low	61.3	Low	62 Å²	62	109.1 Å²	109.1	31%	0.305	52%	0.519	S	S	.	.	H	α-helix	trans	-63.7	-51.7	169.1	-72.8	-88.5	-175	0	0	110.8	H277 L279 E283 N284	H277-M281 VanDerWaalsContact CE1-CE 3.48Å; H277-M281 WeakPolarHBondContact CE1-CE 3.18Å; H277-M281 WeakPolarHBondContact O-CB 3.13Å; H277-M281 VanDerWaalsContact O-CG 3.27Å; H277-M281 WeakPolarHBondContact O-CG 3.37Å; H277-M281 PolarHBondContact O-N 3.18Å; L279-M281 VanDerWaalsContact C-N 3.33Å; L279-M281 PolarHBondContact O-N 3.09Å; M281-E283 PolarHBondContact O-N 2.85Å; M281-N284 PolarHBondContact O-N 3.21Å
282	K	72.3	Confident	60.4	Low	150 Å²	150	102.6 Å²	102.6	65%	0.652	50%	0.501	S	S	*	.	H	α-helix	trans	-62.6	-23.5	179.4	-74.5	163.8	-178.1	159.9	0	113.9	E278 L279	E278-K282 WeakPolarHBondContact O-CB 3.46Å; E278-K282 WeakPolarHBondContact O-CD 3.4Å; E278-K282 VanDerWaalsContact O-CG 3.27Å; E278-K282 WeakPolarHBondContact O-CG 3.32Å; E278-K282 PolarHBondContact O-N 3.45Å; E278-K282 IonicContact OE2-NZ 2.75Å; E278-K282 PolarHBondContact OE2-NZ 3.43Å; L279-K282 PolarHBondContact O-N 3.37Å
283	E	71.9	Confident	59.7	Low	115 Å²	115	103.8 Å²	103.8	54%	0.537	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	6.2	175.5	-69.5	-172.8	146.9	0	0	114.1	L279 M281 K285	L279-E283 WeakPolarHBondContact O-CB 3.45Å; L279-E283 WeakPolarHBondContact O-CG 3.27Å; L279-E283 PolarHBondContact O-N 3.14Å; M281-E283 PolarHBondContact O-N 2.85Å; E283-K285 HydrophobicContact CB-CD 3.9Å; E283-K285 HydrophobicContact CB-CG 4.06Å; E283-K285 VanDerWaalsContact CD-NZ 3.32Å; E283-K285 PolarHBondContact O-N 3.36Å; E283-K285 IonicContact OE1-NZ 3.65Å; E283-K285 WeakPolarHBondContact OE2-CD 3.39Å; E283-K285 WeakPolarHBondContact OE2-CE 3.37Å; E283-K285 IonicContact OE2-NZ 2.67Å; E283-K285 PolarHBondContact OE2-NZ 3.09Å
284	N	53.5	Low	58.6	Low	154 Å²	154	111.4 Å²	111.4	82%	0.824	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	30.5	-173.9	-72.9	-17.5	0	0	0	114	M281	M281-N284 PolarHBondContact O-N 3.21Å
285	K	59.4	Low	57.1	Low	143 Å²	143	109.6 Å²	109.6	62%	0.622	53%	0.529	S	S	*	.			trans	-96	-4.5	-176.4	-72.2	174.8	-171.6	166.3	0	114.4	A280 E283	A280-K285 PolarHBondContact O-N 3.47Å; E283-K285 HydrophobicContact CB-CD 3.9Å; E283-K285 HydrophobicContact CB-CG 4.06Å; E283-K285 VanDerWaalsContact CD-NZ 3.32Å; E283-K285 PolarHBondContact O-N 3.36Å; E283-K285 IonicContact OE1-NZ 3.65Å; E283-K285 WeakPolarHBondContact OE2-CD 3.39Å; E283-K285 WeakPolarHBondContact OE2-CE 3.37Å; E283-K285 IonicContact OE2-NZ 2.67Å; E283-K285 PolarHBondContact OE2-NZ 3.09Å
286	L	47.8	Very low	55.7	Low	62 Å²	62	107.3 Å²	107.3	33%	0.325	53%	0.529	S	S	.	.	S	Bend	trans	-138.7	142	173.6	-76.9	170.9	0	0	0	110.3	A280 H290	A280-L286 HydrophobicContact CB-CD1 3.87Å; A280-L286 HydrophobicContact CB-CG 4.38Å; L286-H290 HydrophobicContact CD2-CB 4.43Å
287	P	51.8	Low	54.7	Low	94 Å²	94	105.6 Å²	105.6	61%	0.61	53%	0.531	S	S	*	.			trans	-73.1	153.6	167.1	32.4	-34.4	0	0	0	110.9	N289 H290	P287-N289 PolarHBondContact O-N 3.39Å; P287-H290 PolarHBondContact O-N 3.07Å
288	E	48.4	Very low	53.6	Low	170 Å²	170	111.8 Å²	111.8	79%	0.794	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-26.8	-169.5	-64.3	177.4	120.7	0	0	114.9	H290	E288-H290 PolarHBondContact O-N 3.39Å
289	N	51.1	Low	52.2	Low	149 Å²	149	109.4 Å²	109.4	80%	0.797	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	13.3	-171.7	-65.9	-21.3	0	0	0	115.3	P287 H291	P287-N289 PolarHBondContact O-N 3.39Å; N289-H291 PolarHBondContact O-N 3.49Å; N289-H291 VanDerWaalsContact O-N 3.11Å
290	H	51.4	Low	51.2	Low	108 Å²	108	107.2 Å²	107.2	50%	0.5	54%	0.535	S	S	.	.			trans	-86	81.9	-172.2	-157.3	-50.3	0	0	0	114.1	L286 P287 E288	L286-H290 HydrophobicContact CD2-CB 4.43Å; P287-H290 PolarHBondContact O-N 3.07Å; E288-H290 PolarHBondContact O-N 3.39Å
291	H	45	Very low	50.5	Low	151 Å²	151	111.9 Å²	111.9	70%	0.699	56%	0.556	S	S	*	*			trans	-51.4	149.2	176.5	-96.5	-102.5	0	0	0	115.5	N289 D293	N289-H291 PolarHBondContact O-N 3.49Å; N289-H291 VanDerWaalsContact O-N 3.11Å; H291-D293 IonicContact CE1-OD2 3.88Å; H291-D293 IonicContact CG-OD2 3.52Å; H291-D293 IonicContact ND1-OD2 2.76Å; H291-D293 PolarHBondContact ND1-OD2 3.26Å
292	V	46.3	Very low	49.6	Very low	60 Å²	60	113.7 Å²	113.7	36%	0.364	56%	0.563	S	S	.	*			trans	-107.6	-3.1	-167.8	-175.6	0	0	0	0	113.4	K294	V292-K294 PolarHBondContact O-N 2.94Å
293	D	44.8	Very low	48.3	Very low	93 Å²	93	108.5 Å²	108.5	50%	0.497	54%	0.543	S	S	.	.	H	α-helix	trans	-65.7	-9.9	-163.3	-55.1	-75.7	0	0	0	117.2	H291 N297	H291-D293 IonicContact CE1-OD2 3.88Å; H291-D293 IonicContact CG-OD2 3.52Å; H291-D293 IonicContact ND1-OD2 2.76Å; H291-D293 PolarHBondContact ND1-OD2 3.26Å; D293-N297 PolarHBondContact O-ND2 2.91Å
294	K	42.7	Very low	47.7	Very low	194 Å²	194	109.8 Å²	109.8	84%	0.843	55%	0.546	S	S	*	.	H	α-helix	trans	-83.7	-20.3	-175.3	-79.4	-176.7	176.3	173.8	0	115.3	V292	V292-K294 PolarHBondContact O-N 2.94Å
295	V	40	Very low	48.2	Very low	51 Å²	51	106 Å²	106	31%	0.309	53%	0.529	S	S	.	.	H	α-helix	trans	-85.7	-47.7	179.1	-177.3	0	0	0	0	110.8	E273 N297 R298	E273-V295 WeakPolarHBondContact OE2-CG1 3.47Å; V295-N297 VanDerWaalsContact C-N 3.35Å; V295-N297 PolarHBondContact O-N 3.37Å; V295-R298 PolarHBondContact O-N 3.01Å; V295-R298 VanDerWaalsContact O-N 3.17Å
296	V	39.7	Very low	47.8	Very low	70 Å²	70	104.5 Å²	104.5	42%	0.424	52%	0.524	S	S	.	.	H	α-helix	trans	-52.9	-49.7	-178.3	-175.8	0	0	0	0	111.8	R298 N299 S300	V296-R298 VanDerWaalsContact C-N 3.27Å; V296-R298 PolarHBondContact O-N 3.3Å; V296-N299 PolarHBondContact O-N 3.3Å; V296-S300 PolarHBondContact O-N 3.46Å; V296-S300 PolarHBondContact O-OG 3.04Å
297	N	42.3	Very low	48	Very low	115 Å²	115	105.3 Å²	105.3	62%	0.615	53%	0.526	S	S	*	.	H	α-helix	trans	-60.6	-28.6	-177	-85	-69.3	0	0	0	114.7	D293 V295	D293-N297 PolarHBondContact O-ND2 2.91Å; V295-N297 VanDerWaalsContact C-N 3.35Å; V295-N297 PolarHBondContact O-N 3.37Å
298	R	42.7	Very low	48.6	Very low	188 Å²	188	107.9 Å²	107.9	71%	0.709	53%	0.527	S	S	*	.	H	α-helix	trans	-73.2	-49.8	177.6	-109.5	-179.3	176.2	146.5	-0.6	111.3	V295 V296 S300 L301 E302	V295-R298 PolarHBondContact O-N 3.01Å; V295-R298 VanDerWaalsContact O-N 3.17Å; V296-R298 VanDerWaalsContact C-N 3.27Å; V296-R298 PolarHBondContact O-N 3.3Å; R298-S300 VanDerWaalsContact C-N 3.32Å; R298-S300 PolarHBondContact O-N 3.39Å; R298-L301 PolarHBondContact O-N 2.67Å; R298-L301 VanDerWaalsContact O-N 3.07Å; R298-E302 PolarHBondContact O-N 2.88Å; R298-E302 VanDerWaalsContact O-N 3.16Å
299	N	41.1	Very low	49	Very low	52 Å²	52	103.4 Å²	103.4	28%	0.278	51%	0.509	S	S	.	.	H	α-helix	trans	-60.2	-42.9	-178.6	-63.4	-13.9	0	0	0	111.2	V296 L301 E302 I303	V296-N299 PolarHBondContact O-N 3.3Å; N299-L301 VanDerWaalsContact C-N 3.26Å; N299-L301 PolarHBondContact O-N 2.75Å; N299-E302 PolarHBondContact O-N 3.19Å; N299-I303 WeakPolarHBondContact O-CG1 3.46Å; N299-I303 PolarHBondContact O-N 2.99Å
300	S	48.4	Very low	48.9	Very low	47 Å²	47	99.4 Å²	99.4	33%	0.329	49%	0.487	S	S	.	.	H	α-helix	trans	-64.4	-25.3	177.2	-56.5	0	0	0	0	114.1	V296 R298 K304	V296-S300 PolarHBondContact O-N 3.46Å; V296-S300 PolarHBondContact O-OG 3.04Å; R298-S300 VanDerWaalsContact C-N 3.32Å; R298-S300 PolarHBondContact O-N 3.39Å; S300-K304 WeakPolarHBondContact O-CB 3.47Å; S300-K304 VanDerWaalsContact O-CG 3.29Å; S300-K304 WeakPolarHBondContact O-CG 3.24Å; S300-K304 PolarHBondContact O-N 3.08Å
301	L	53.3	Low	49	Very low	122 Å²	122	97.4 Å²	97.4	64%	0.639	49%	0.485	S	S	*	.	H	α-helix	trans	-80.1	-39.7	176.9	-167.2	70.9	0	0	0	111.7	R298 N299 T305	R298-L301 PolarHBondContact O-N 2.67Å; R298-L301 VanDerWaalsContact O-N 3.07Å; N299-L301 VanDerWaalsContact C-N 3.26Å; N299-L301 PolarHBondContact O-N 2.75Å; L301-T305 PolarHBondContact O-N 2.79Å; L301-T305 VanDerWaalsContact O-N 3.13Å; L301-T305 PolarHBondContact O-OG1 2.78Å
302	E	47.4	Very low	49.6	Very low	99 Å²	99	96.3 Å²	96.3	46%	0.463	48%	0.479	S	S	.	.	H	α-helix	trans	-64.3	-43.7	173.6	-69.4	-179.6	-167.3	0	0	111.2	R298 N299 T305 H306	R298-E302 PolarHBondContact O-N 2.88Å; R298-E302 VanDerWaalsContact O-N 3.16Å; N299-E302 PolarHBondContact O-N 3.19Å; E302-T305 WeakPolarHBondContact O-CA 3.4Å; E302-T305 WeakPolarHBondContact O-CB 3.42Å; E302-T305 PolarHBondContact O-N 2.9Å; E302-T305 VanDerWaalsContact O-N 3.12Å; E302-H306 PolarHBondContact O-CD2 3.4Å; E302-H306 PolarHBondContact O-N 2.93Å
303	I	46	Very low	49.6	Very low	42 Å²	42	98.4 Å²	98.4	22%	0.215	49%	0.487	C	S	.	.	H	α-helix	trans	-62.8	-48.5	178	-68.8	169.9	0	0	0	111.2	E266 N299 T305 H306 E307	E266-I303 HydrophobicContact CG-CD1 4.19Å; E266-I303 VanDerWaalsContact OE1-CD1 3.29Å; E266-I303 WeakPolarHBondContact OE1-CD1 3.47Å; N299-I303 WeakPolarHBondContact O-CG1 3.46Å; N299-I303 PolarHBondContact O-N 2.99Å; I303-T305 PolarHBondContact O-N 3.21Å; I303-T305 VanDerWaalsContact O-N 3.15Å; I303-H306 CarbonylContact O-C 3.6Å; I303-H306 WeakPolarHBondContact O-CA 3.39Å; I303-H306 WeakPolarHBondContact O-CB 3.35Å; I303-H306 PolarHBondContact O-N 2.94Å; I303-E307 HydrophobicContact CG2-CG 4.39Å; I303-E307 WeakPolarHBondContact O-CG 3.45Å; I303-E307 PolarHBondContact O-N 3.05Å
304	K	58.5	Low	49.6	Very low	141 Å²	141	95.8 Å²	95.8	61%	0.613	48%	0.475	S	S	*	.	H	α-helix	trans	-58	-29.3	174	-77	175.4	179.2	178.7	0	113.2	S300 K308	S300-K304 WeakPolarHBondContact O-CB 3.47Å; S300-K304 VanDerWaalsContact O-CG 3.29Å; S300-K304 WeakPolarHBondContact O-CG 3.24Å; S300-K304 PolarHBondContact O-N 3.08Å; K304-K308 VanDerWaalsContact O-CB 3.31Å; K304-K308 WeakPolarHBondContact O-CB 3.39Å; K304-K308 PolarHBondContact O-N 2.86Å; K304-K308 VanDerWaalsContact O-N 3.14Å
305	T	63	Low	49.9	Very low	74 Å²	74	91 Å²	91	45%	0.454	46%	0.459	S	S	.	.	H	α-helix	trans	-73.9	-41.1	175	-56.6	0	0	0	0	111.3	L301 E302 I303 N309	L301-T305 PolarHBondContact O-N 2.79Å; L301-T305 VanDerWaalsContact O-N 3.13Å; L301-T305 PolarHBondContact O-OG1 2.78Å; E302-T305 WeakPolarHBondContact O-CA 3.4Å; E302-T305 WeakPolarHBondContact O-CB 3.42Å; E302-T305 PolarHBondContact O-N 2.9Å; E302-T305 VanDerWaalsContact O-N 3.12Å; I303-T305 PolarHBondContact O-N 3.21Å; I303-T305 VanDerWaalsContact O-N 3.15Å; T305-N309 VanDerWaalsContact O-CG 3.3Å; T305-N309 PolarHBondContact O-N 2.92Å; T305-N309 VanDerWaalsContact O-N 3.12Å; T305-N309 PolarHBondContact O-ND2 2.91Å
306	H	51.5	Low	50.1	Low	113 Å²	113	95.3 Å²	95.3	52%	0.523	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-44	173	-89.2	-85.5	0	0	0	112.9	E302 I303 K308 N309 L310	E302-H306 PolarHBondContact O-CD2 3.4Å; E302-H306 PolarHBondContact O-N 2.93Å; I303-H306 CarbonylContact O-C 3.6Å; I303-H306 WeakPolarHBondContact O-CA 3.39Å; I303-H306 WeakPolarHBondContact O-CB 3.35Å; I303-H306 PolarHBondContact O-N 2.94Å; H306-K308 PolarHBondContact O-N 3.35Å; H306-N309 PolarHBondContact O-N 3.4Å; H306-N309 VanDerWaalsContact O-N 3.17Å; H306-L310 PolarHBondContact O-N 3.24Å
307	E	52.7	Low	50.2	Low	79 Å²	79	95.4 Å²	95.4	37%	0.369	47%	0.466	S	S	.	.	H	α-helix	trans	-57.8	-49.4	174.5	-69.8	-178.8	133.3	0	0	111.2	I303 N309 L310 S311	I303-E307 HydrophobicContact CG2-CG 4.39Å; I303-E307 WeakPolarHBondContact O-CG 3.45Å; I303-E307 PolarHBondContact O-N 3.05Å; E307-N309 PolarHBondContact O-N 3.02Å; E307-L310 PolarHBondContact O-N 2.94Å; E307-L310 VanDerWaalsContact O-N 3.08Å; E307-S311 PolarHBondContact O-N 3.28Å; E307-S311 PolarHBondContact O-OG 2.83Å
308	K	63.2	Low	50.3	Low	147 Å²	147	95.6 Å²	95.6	64%	0.639	46%	0.463	S	S	*	.	H	α-helix	trans	-62.4	-25.8	178.1	-168	169.5	-172.8	172.4	0	113.3	K304 H306 K312	K304-K308 VanDerWaalsContact O-CB 3.31Å; K304-K308 WeakPolarHBondContact O-CB 3.39Å; K304-K308 PolarHBondContact O-N 2.86Å; K304-K308 VanDerWaalsContact O-N 3.14Å; H306-K308 PolarHBondContact O-N 3.35Å; K308-K312 VanDerWaalsContact O-CG 3.32Å; K308-K312 WeakPolarHBondContact O-CG 3.44Å; K308-K312 PolarHBondContact O-N 3.11Å
309	N	58.6	Low	50.5	Low	77 Å²	77	91.1 Å²	91.1	41%	0.412	45%	0.453	S	S	.	.	H	α-helix	trans	-83.3	-34.5	173.6	-72.1	-23.3	0	0	0	112.5	T305 H306 E307 K312 L313	T305-N309 VanDerWaalsContact O-CG 3.3Å; T305-N309 PolarHBondContact O-N 2.92Å; T305-N309 VanDerWaalsContact O-N 3.12Å; T305-N309 PolarHBondContact O-ND2 2.91Å; H306-N309 PolarHBondContact O-N 3.4Å; H306-N309 VanDerWaalsContact O-N 3.17Å; E307-N309 PolarHBondContact O-N 3.02Å; N309-K312 PolarHBondContact O-N 3Å; N309-L313 PolarHBondContact O-N 2.99Å; N309-L313 VanDerWaalsContact O-N 3.12Å
310	L	48.7	Very low	50.6	Low	64 Å²	64	93.7 Å²	93.7	34%	0.335	46%	0.462	S	S	.	.	H	α-helix	trans	-64.5	-45.6	172.1	-81.5	159.7	0	0	0	111.7	Y258 H306 E307 K312 L313 T314	Y258-L310 HydrophobicContact CE1-CD1 4.01Å; H306-L310 PolarHBondContact O-N 3.24Å; E307-L310 PolarHBondContact O-N 2.94Å; E307-L310 VanDerWaalsContact O-N 3.08Å; L310-K312 VanDerWaalsContact C-N 3.32Å; L310-K312 PolarHBondContact O-N 2.98Å; L310-L313 WeakPolarHBondContact O-CA 3.49Å; L310-L313 WeakPolarHBondContact O-CB 3.45Å; L310-L313 PolarHBondContact O-N 3.47Å; L310-T314 PolarHBondContact O-N 2.96Å; L310-T314 PolarHBondContact O-OG1 3.45Å
311	S	53.8	Low	50.3	Low	66 Å²	66	95.6 Å²	95.6	46%	0.462	47%	0.472	S	S	.	.	H	α-helix	trans	-60.4	-38.8	175.8	-56.3	0	0	0	0	112.6	E307 L313 T314 N315	E307-S311 PolarHBondContact O-N 3.28Å; E307-S311 PolarHBondContact O-OG 2.83Å; S311-L313 VanDerWaalsContact C-N 3.29Å; S311-L313 PolarHBondContact O-N 3.15Å; S311-T314 WeakPolarHBondContact CA-OG1 3.31Å; S311-T314 PolarHBondContact O-N 3.34Å; S311-T314 PolarHBondContact O-OG1 3.46Å; S311-N315 VanDerWaalsContact O-CG 3.28Å; S311-N315 PolarHBondContact O-N 2.7Å; S311-N315 VanDerWaalsContact O-N 3.08Å; S311-N315 PolarHBondContact O-OD1 3.06Å
312	K	57.7	Low	49.8	Very low	128 Å²	128	96 Å²	96	56%	0.557	47%	0.47	S	S	*	.	H	α-helix	trans	-61.6	-38.8	171.9	-74.8	170.9	-178.7	175.8	0	112	K308 N309 L310 Y316	K308-K312 VanDerWaalsContact O-CG 3.32Å; K308-K312 WeakPolarHBondContact O-CG 3.44Å; K308-K312 PolarHBondContact O-N 3.11Å; N309-K312 PolarHBondContact O-N 3Å; L310-K312 VanDerWaalsContact C-N 3.32Å; L310-K312 PolarHBondContact O-N 2.98Å; K312-Y316 VanDerWaalsContact O-CB 3.28Å; K312-Y316 WeakPolarHBondContact O-CB 3.44Å; K312-Y316 PolarHBondContact O-N 3.46Å; K312-Y316 VanDerWaalsContact O-N 3.09Å
313	L	46.2	Very low	49.6	Very low	105 Å²	105	96.8 Å²	96.8	55%	0.55	48%	0.478	S	S	.	.	H	α-helix	trans	-68.9	-41.9	179.7	-125.4	79.5	0	0	0	112.1	N309 L310 S311 Q317	N309-L313 PolarHBondContact O-N 2.99Å; N309-L313 VanDerWaalsContact O-N 3.12Å; L310-L313 WeakPolarHBondContact O-CA 3.49Å; L310-L313 WeakPolarHBondContact O-CB 3.45Å; L310-L313 PolarHBondContact O-N 3.47Å; S311-L313 VanDerWaalsContact C-N 3.29Å; S311-L313 PolarHBondContact O-N 3.15Å; L313-Q317 WeakPolarHBondContact O-CG 3.4Å; L313-Q317 PolarHBondContact O-N 2.89Å
314	T	43.8	Very low	49.3	Very low	37 Å²	37	100.8 Å²	100.8	23%	0.227	50%	0.498	C	S	.	.	H	α-helix	trans	-64.8	-49.1	176.3	42.8	0	0	0	0	111.4	L255 L310 S311 Y316 Q317 E318	L255-T314 HydrophobicContact CD1-CG2 3.82Å; L310-T314 PolarHBondContact O-N 2.96Å; L310-T314 PolarHBondContact O-OG1 3.45Å; S311-T314 WeakPolarHBondContact CA-OG1 3.31Å; S311-T314 PolarHBondContact O-N 3.34Å; S311-T314 PolarHBondContact O-OG1 3.46Å; T314-Y316 VanDerWaalsContact C-N 3.33Å; T314-Y316 PolarHBondContact O-N 3.49Å; T314-Q317 PolarHBondContact O-N 3.16Å; T314-E318 PolarHBondContact O-N 3.36Å
315	N	48.4	Very low	48.4	Very low	95 Å²	95	100.3 Å²	100.3	51%	0.508	50%	0.503	S	S	.	.	H	α-helix	trans	-59.4	-44.5	179.5	-66.8	30.3	0	0	0	111.2	S311 Q317 E318 D319	S311-N315 VanDerWaalsContact O-CG 3.28Å; S311-N315 PolarHBondContact O-N 2.7Å; S311-N315 VanDerWaalsContact O-N 3.08Å; S311-N315 PolarHBondContact O-OD1 3.06Å; N315-Q317 VanDerWaalsContact C-N 3.27Å; N315-Q317 PolarHBondContact O-N 3.32Å; N315-E318 PolarHBondContact O-N 3.12Å; N315-D319 PolarHBondContact O-N 3.31Å
316	Y	44.2	Very low	47.4	Very low	141 Å²	141	102.7 Å²	102.7	55%	0.553	51%	0.513	S	S	*	.	H	α-helix	trans	-66.5	-25	177.4	-172.7	-100.9	0	0	0	113.8	K312 T314 K320	K312-Y316 VanDerWaalsContact O-CB 3.28Å; K312-Y316 WeakPolarHBondContact O-CB 3.44Å; K312-Y316 PolarHBondContact O-N 3.46Å; K312-Y316 VanDerWaalsContact O-N 3.09Å; T314-Y316 VanDerWaalsContact C-N 3.33Å; T314-Y316 PolarHBondContact O-N 3.49Å; Y316-K320 HydrophobicContact CE1-CD 3.98Å; Y316-K320 PolarHBondContact O-N 3.37Å; Y316-K320 WeakPolarHBondContact OH-CE 3.48Å; Y316-K320 PolarHBondContact OH-NZ 3.45Å; Y316-K320 VanDerWaalsContact OH-NZ 3.08Å
317	Q	42.8	Very low	46.7	Very low	71 Å²	71	103.6 Å²	103.6	33%	0.332	52%	0.522	S	S	.	.	H	α-helix	trans	-78.6	-39.7	170.4	-76.7	-171.3	-8.2	0	0	112.1	L313 T314 N315 K320 V321	L313-Q317 WeakPolarHBondContact O-CG 3.4Å; L313-Q317 PolarHBondContact O-N 2.89Å; T314-Q317 PolarHBondContact O-N 3.16Å; N315-Q317 VanDerWaalsContact C-N 3.27Å; N315-Q317 PolarHBondContact O-N 3.32Å; Q317-K320 PolarHBondContact O-N 3.28Å; Q317-V321 WeakPolarHBondContact O-CB 3.03Å; Q317-V321 VanDerWaalsContact O-CG2 3.31Å; Q317-V321 WeakPolarHBondContact O-CG2 3.37Å; Q317-V321 PolarHBondContact O-N 3.5Å
318	E	43.8	Very low	45.7	Very low	119 Å²	119	105.7 Å²	105.7	56%	0.556	54%	0.542	S	S	*	.	H	α-helix	trans	-64	-45.6	175.9	-71.3	-179.5	168.7	0	0	111.3	T314 N315 K320 V321 Q322	T314-E318 PolarHBondContact O-N 3.36Å; N315-E318 PolarHBondContact O-N 3.12Å; E318-K320 VanDerWaalsContact C-N 3.28Å; E318-K320 PolarHBondContact O-N 3.06Å; E318-V321 PolarHBondContact O-N 3.06Å; E318-V321 VanDerWaalsContact O-N 3.16Å; E318-Q322 WeakPolarHBondContact O-CG 3.49Å; E318-Q322 PolarHBondContact O-N 3.07Å
319	D	47.3	Very low	44.5	Very low	94 Å²	94	104.5 Å²	104.5	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-55.3	-42.9	172.6	-73.6	-28.6	0	0	0	111.7	N315 N323	N315-D319 PolarHBondContact O-N 3.31Å; D319-N323 WeakPolarHBondContact O-CB 3.27Å; D319-N323 PolarHBondContact O-N 3.05Å; D319-N323 VanDerWaalsContact O-N 3.08Å; D319-N323 PolarHBondContact O-ND2 2.73Å
320	K	44.2	Very low	43.1	Very low	106 Å²	106	110.5 Å²	110.5	46%	0.461	57%	0.57	S	S	.	*	H	α-helix	trans	-70.4	-38.4	176.9	-85.8	-171.6	172.2	179.3	0	113.1	Y316 Q317 E318 N323 L324	Y316-K320 HydrophobicContact CE1-CD 3.98Å; Y316-K320 PolarHBondContact O-N 3.37Å; Y316-K320 WeakPolarHBondContact OH-CE 3.48Å; Y316-K320 PolarHBondContact OH-NZ 3.45Å; Y316-K320 VanDerWaalsContact OH-NZ 3.08Å; Q317-K320 PolarHBondContact O-N 3.28Å; E318-K320 VanDerWaalsContact C-N 3.28Å; E318-K320 PolarHBondContact O-N 3.06Å; K320-N323 PolarHBondContact O-N 3.43Å; K320-L324 VanDerWaalsContact O-CB 3.29Å; K320-L324 WeakPolarHBondContact O-CB 3.04Å; K320-L324 WeakPolarHBondContact O-CD1 3.4Å; K320-L324 VanDerWaalsContact O-CG 3.22Å; K320-L324 WeakPolarHBondContact O-CG 3.49Å; K320-L324 PolarHBondContact O-N 3.14Å
321	V	42.1	Very low	42.1	Very low	88 Å²	88	114.6 Å²	114.6	53%	0.533	59%	0.591	S	S	.	*	H	α-helix	trans	-67.8	-38.8	177.6	168.6	0	0	0	0	111.1	Q317 E318 L324 N325	Q317-V321 WeakPolarHBondContact O-CB 3.03Å; Q317-V321 VanDerWaalsContact O-CG2 3.31Å; Q317-V321 WeakPolarHBondContact O-CG2 3.37Å; Q317-V321 PolarHBondContact O-N 3.5Å; E318-V321 PolarHBondContact O-N 3.06Å; E318-V321 VanDerWaalsContact O-N 3.16Å; V321-L324 PolarHBondContact O-N 3.29Å; V321-N325 PolarHBondContact O-N 3.18Å
322	Q	41.4	Very low	41.1	Very low	131 Å²	131	115 Å²	115	61%	0.612	59%	0.591	S	S	*	*	H	α-helix	trans	-64.9	-44.3	173.5	-69	-171.7	24.9	0	0	111.8	E318 L324 N325	E318-Q322 WeakPolarHBondContact O-CG 3.49Å; E318-Q322 PolarHBondContact O-N 3.07Å; Q322-L324 PolarHBondContact O-N 3.46Å; Q322-N325 PolarHBondContact O-N 3.42Å
323	N	44.2	Very low	39.5	Very low	115 Å²	115	115.5 Å²	115.5	62%	0.615	60%	0.597	S	S	*	*	H	α-helix	trans	-67	-34.2	176.6	-81.1	-78.4	0	0	0	113.3	D319 K320 N325 N326	D319-N323 WeakPolarHBondContact O-CB 3.27Å; D319-N323 PolarHBondContact O-N 3.05Å; D319-N323 VanDerWaalsContact O-N 3.08Å; D319-N323 PolarHBondContact O-ND2 2.73Å; K320-N323 PolarHBondContact O-N 3.43Å; N323-N325 VanDerWaalsContact C-N 3.29Å; N323-N325 PolarHBondContact O-N 3.41Å; N323-N326 PolarHBondContact O-N 3.04Å
324	L	38.9	Very low	38.7	Very low	125 Å²	125	115 Å²	115	65%	0.654	60%	0.602	S	S	*	*	H	α-helix	trans	-67.5	-25.2	178.3	-81.9	164.9	0	0	0	113.8	K320 V321 Q322 N326	K320-L324 VanDerWaalsContact O-CB 3.29Å; K320-L324 WeakPolarHBondContact O-CB 3.04Å; K320-L324 WeakPolarHBondContact O-CD1 3.4Å; K320-L324 VanDerWaalsContact O-CG 3.22Å; K320-L324 WeakPolarHBondContact O-CG 3.49Å; K320-L324 PolarHBondContact O-N 3.14Å; V321-L324 PolarHBondContact O-N 3.29Å; Q322-L324 PolarHBondContact O-N 3.46Å; L324-N326 PolarHBondContact O-N 2.8Å
325	N	40.7	Very low	38.1	Very low	131 Å²	131	116.9 Å²	116.9	70%	0.701	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-15.7	174.9	-76.4	-19.2	0	0	0	113.4	V321 Q322 N323	V321-N325 PolarHBondContact O-N 3.18Å; Q322-N325 PolarHBondContact O-N 3.42Å; N323-N325 VanDerWaalsContact C-N 3.29Å; N323-N325 PolarHBondContact O-N 3.41Å
326	N	41.6	Very low	37.1	Very low	124 Å²	124	121.8 Å²	121.8	66%	0.663	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-3.2	-171.7	-69.5	-17.4	0	0	0	114.9	N323 L324	N323-N326 PolarHBondContact O-N 3.04Å; L324-N326 PolarHBondContact O-N 2.8Å
327	N	36.6	Very low	36.3	Very low	133 Å²	133	121 Å²	121	71%	0.711	64%	0.636	S	S	*	*			trans	-160.1	102.8	175.6	-109.1	-52	0	0	0	113.8
328	P	32.4	Very low	35.5	Very low	123 Å²	123	123.3 Å²	123.3	80%	0.799	66%	0.655	S	S	*	*			trans	-101.5	82.4	-177.7	36.9	-32.1	0	0	0	113.1
329	T	36	Very low	34.7	Very low	122 Å²	122	124 Å²	124	75%	0.748	67%	0.668	S	S	*	*			trans	-131.2	141	175	-51	0	0	0	0	113.4
330	K	30	Very low	33.8	Very low	203 Å²	203	126.5 Å²	126.5	88%	0.883	68%	0.68	S	S	*	*			trans	-38.8	129.5	-174.1	-61.8	171.1	178.5	174.1	0	115.7
331	L	28.4	Very low	33.1	Very low	150 Å²	150	129 Å²	129	79%	0.785	70%	0.699	S	S	*	*			trans	-134.6	134	156.1	-96.6	165.5	0	0	0	109.9
332	T	31.4	Very low	32.5	Very low	75 Å²	75	130.2 Å²	130.2	46%	0.46	70%	0.702	S	S	.	*			trans	-88.7	167.7	-178.8	39.4	0	0	0	0	112.2	S334	T332-S334 PolarHBondContact O-N 3.06Å
333	M	26	Very low	31.8	Very low	137 Å²	137	131.5 Å²	131.5	68%	0.675	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-65.8	8.7	-167.6	-85.9	-72.1	-66.7	0	0	117.3	I181 T335	I181-M333 HydrophobicContact CD1-CB 3.95Å; M333-T335 PolarHBondContact O-N 3.19Å
334	S	29.3	Very low	31.1	Very low	94 Å²	94	134.3 Å²	134.3	66%	0.657	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-83.8	-2.6	-175	52.1	0	0	0	0	115.5	T332	T332-S334 PolarHBondContact O-N 3.06Å
335	T	30.7	Very low	30.6	Very low	77 Å²	77	132.7 Å²	132.7	47%	0.472	73%	0.732	S	S	.	*	G	3₁₀ helix	trans	-111.8	-1.7	-173.5	44.6	0	0	0	0	115.7	M333 T337	M333-T335 PolarHBondContact O-N 3.19Å; T335-T337 VanDerWaalsContact C-N 3.31Å; T335-T337 PolarHBondContact O-N 2.9Å; T335-T337 VanDerWaalsContact O-N 3.17Å
336	Y	28	Very low	30	Very low	198 Å²	198	134.5 Å²	134.5	78%	0.776	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	43.6	-176.7	-81	-83.5	0	0	0	114.5
337	T	26.4	Very low	29.3	Very low	124 Å²	124	136.2 Å²	136.2	76%	0.761	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.1	11.5	-178	14.8	0	0	0	0	115.5	T335	T335-T337 VanDerWaalsContact C-N 3.31Å; T335-T337 PolarHBondContact O-N 2.9Å; T335-T337 VanDerWaalsContact O-N 3.17Å
338	T	26.4	Very low	29	Very low	120 Å²	120	136.8 Å²	136.8	74%	0.736	75%	0.747	S	S	*	*	S	Bend	trans	-145.8	77.9	179.6	27.9	0	0	0	0	112.9
339	T	26.8	Very low	28.7	Very low	134 Å²	134	140.9 Å²	140.9	82%	0.822	75%	0.752	S	S	*	*	S	Bend	trans	179.9	82.4	151.7	18.2	0	0	0	0	111
340	I	29.1	Very low	28.4	Very low	146 Å²	146	142.9 Å²	142.9	75%	0.749	76%	0.757	S	S	*	*	S	Bend	trans	-172.5	-32.6	154.7	-103.4	153.5	0	0	0	109.6	N342	I340-N342 PolarHBondContact O-N 3.18Å
341	D	28.7	Very low	28.3	Very low	160 Å²	160	136.4 Å²	136.4	86%	0.856	75%	0.747	S	S	*	*			trans	-72.3	73.2	164.2	-63.7	-36.4	0	0	0	110.5
342	N	28.7	Very low	28.4	Very low	112 Å²	112	135 Å²	135	60%	0.599	75%	0.747	S	S	*	*			trans	-160.2	54.5	170.8	-109.2	-33.2	0	0	0	111.4	I340	I340-N342 PolarHBondContact O-N 3.18Å
343	N	28.3	Very low	28.4	Very low	159 Å²	159	139.7 Å²	139.7	85%	0.85	76%	0.764	S	S	*	*	S	Bend	trans	-160.4	49.1	164.2	-102.2	-23.6	0	0	0	110.7
344	D	27.9	Very low	28.5	Very low	173 Å²	173	139.3 Å²	139.3	93%	0.925	77%	0.769	S	S	*	*	S	Bend	trans	-171	34.7	161	-103.7	-18.5	0	0	0	113.9
345	A	29.4	Very low	28.5	Very low	91 Å²	91	138.7 Å²	138.7	75%	0.752	78%	0.777	S	S	*	*			trans	-165.5	82.1	171.8	0	0	0	0	0	114.9
346	Q	27.6	Very low	28.3	Very low	170 Å²	170	144.1 Å²	144.1	79%	0.794	80%	0.797	S	S	*	*			trans	-143.6	73.1	164.5	-76.8	-157.1	15.6	0	0	114.6
347	I	26.7	Very low	28.4	Very low	160 Å²	160	139.7 Å²	139.7	82%	0.821	80%	0.795	S	S	*	*	S	Bend	trans	-151.3	125.4	145.6	-57.1	-174.5	0	0	0	105.4
348	N	30.4	Very low	28.4	Very low	144 Å²	144	142.8 Å²	142.8	77%	0.77	80%	0.798	S	S	*	*			cis	-146.2	155.1	-15	-107.6	-13.1	0	0	0	108.2
349	K	26.6	Very low	28.5	Very low	209 Å²	209	144.2 Å²	144.2	91%	0.909	80%	0.797	S	S	*	*			trans	-133.3	107.1	169.6	-113.1	-168.9	179.8	-176.5	0	110
350	I	30.2	Very low	28.7	Very low	165 Å²	165	145.4 Å²	145.4	85%	0.846	79%	0.793	S	S	*	*			trans	-141.3	135.3	163.8	-60.9	-176.5	0	0	0	108.4
351	G	28	Very low	28.6	Very low	66 Å²	66	143 Å²	143	68%	0.68	79%	0.789	S	S	*	*			trans	53.3	105.7	149.3	0	0	0	0	0	119.8
352	P	29.6	Very low	28.6	Very low	120 Å²	120	141 Å²	141	78%	0.779	79%	0.787	S	S	*	*			trans	-75.7	152.3	156.2	34.7	-33	0	0	0	110.3
353	H	30.7	Very low	28.5	Very low	175 Å²	175	145.2 Å²	145.2	81%	0.81	80%	0.8	S	S	*	*			trans	-165.3	132.4	142	-104.9	-70.6	0	0	0	111.9
354	T	29.8	Very low	28.4	Very low	129 Å²	129	145.7 Å²	145.7	79%	0.791	80%	0.802	S	S	*	*			trans	18.4	121	149.1	52.1	0	0	0	0	120.2
355	G	29.1	Very low	28.3	Very low	80 Å²	80	142.5 Å²	142.5	83%	0.825	79%	0.789	S	S	*	*			trans	179.2	128	162	0	0	0	0	0	111.8
356	E	26.7	Very low	28.2	Very low	191 Å²	191	144.8 Å²	144.8	89%	0.893	79%	0.788	S	S	*	*			trans	-99.2	172.9	-176.7	-65.1	-172.2	112.1	0	0	113.4
357	S	28.5	Very low	28.2	Very low	105 Å²	105	145.7 Å²	145.7	73%	0.734	79%	0.793	S	S	*	*			trans	83.9	102.6	152.2	75.8	0	0	0	0	120.1
358	K	27.5	Very low	28.3	Very low	189 Å²	189	143 Å²	143	82%	0.822	79%	0.788	S	S	*	*				66.9	129.7	117.1	-71.1	176.2	-179.5	174.1	0	121.7
359	Q	28.8	Very low	28	Very low	151 Å²	151	145.2 Å²	145.2	71%	0.706	79%	0.791	S	S	*	*			trans	97.2	130.7	134	-84.2	178.1	-54.3	0	0	121.1
360	H	29.8	Very low	28.2	Very low	159 Å²	159	143.4 Å²	143.4	74%	0.736	79%	0.789	S	S	*	*			trans	48.5	135.1	150.2	-61.2	-61.8	0	0	0	119.9
361	S	27.4	Very low	28	Very low	95 Å²	95	139 Å²	139	66%	0.664	78%	0.778	S	S	*	*			cis	-174.9	-172.2	0.1	54.3	0	0	0	0	110.4
362	S	29.7	Very low	28	Very low	118 Å²	118	143.9 Å²	143.9	83%	0.825	78%	0.783	S	S	*	*			trans	63.5	126.4	165.2	59.9	0	0	0	0	118.9
363	K	25.3	Very low	27.9	Very low	200 Å²	200	144.5 Å²	144.5	87%	0.87	78%	0.775	S	S	*	*			trans	-90.1	150	162.5	-55.5	168.5	-178.3	172	0	108.8
364	L	26.6	Very low	27.7	Very low	170 Å²	170	143.7 Å²	143.7	89%	0.89	77%	0.77	S	S	*	*			trans	-156.6	164.8	137.5	-110.3	158.2	0	0	0	109.5
365	T	25.9	Very low	27.6	Very low	105 Å²	105	146 Å²	146	64%	0.644	77%	0.769	S	S	*	*			trans	-118.5	175.6	-165	48.3	0	0	0	0	113.1
366	D	26.6	Very low	27.5	Very low	140 Å²	140	150.8 Å²	150.8	75%	0.749	78%	0.775	S	S	*	*			trans	82.5	157.8	162.3	-53.3	-60.2	0	0	0	117.2
367	Q	28	Very low	27.4	Very low	189 Å²	189	149.1 Å²	149.1	88%	0.883	77%	0.772	S	S	*	*			trans	70.9	143.3	177.6	-52.6	-178	22	0	0	115.6
368	S	28.6	Very low	27.5	Very low	102 Å²	102	151.8 Å²	151.8	71%	0.713	77%	0.773	S	S	*	*			cis	-160.8	-176.6	-20.9	59	0	0	0	0	110.8
369	F	24.8	Very low	27.6	Very low	192 Å²	192	150.3 Å²	150.3	84%	0.842	77%	0.769	S	S	*	*			trans	-21.9	135	156.7	-101.9	-115.8	0	0	0	115.9
370	I	30.2	Very low	27.8	Very low	170 Å²	170	151.2 Å²	151.2	87%	0.872	78%	0.777	S	S	*	*			trans	-148.5	143	137.2	-96	136	0	0	0	107.4
371	A	26.8	Very low	27.9	Very low	73 Å²	73	152.3 Å²	152.3	60%	0.603	78%	0.78	S	S	*	*			trans	-120.7	176.6	177.2	0	0	0	0	0	109.8
372	Q	27.2	Very low	28	Very low	169 Å²	169	153.5 Å²	153.5	79%	0.79	78%	0.784	S	S	*	*			trans	73	159	179.4	-43.2	-179.7	9.4	0	0	112.5
373	Q	27.8	Very low	28.1	Very low	132 Å²	132	155 Å²	155	62%	0.617	78%	0.782	S	S	*	*			cis	-153.5	132.8	4.1	-157.2	56.5	-38.1	0	0	113.1
374	F	25.7	Very low	28.4	Very low	159 Å²	159	151.5 Å²	151.5	70%	0.697	78%	0.778	S	S	*	*			trans	64.6	147.9	143.3	-86.4	-138	0	0	0	125.7
375	K	27.7	Very low	28.7	Very low	177 Å²	177	147.9 Å²	147.9	77%	0.77	77%	0.766	S	S	*	*			trans	62.4	107.6	145.6	-77.1	175.9	176.2	176.9	0	120.1
376	L	27.9	Very low	28.9	Very low	181 Å²	181	149.1 Å²	149.1	95%	0.948	77%	0.774	S	S	*	*				-141.1	108.5	114.4	-156.7	78.2	0	0	0	110.4
377	N	25	Very low	29.2	Very low	155 Å²	155	147.5 Å²	147.5	83%	0.829	77%	0.769	S	S	*	*			trans	-158.3	92.8	176.8	-160.8	2.6	0	0	0	110.2
378	Q	30.9	Very low	29.4	Very low	162 Å²	162	144.3 Å²	144.3	76%	0.757	76%	0.758	S	S	*	*			trans	-168.6	154.4	166.9	-124.8	-176.1	87.2	0	0	114.1
379	Q	29	Very low	29.5	Very low	158 Å²	158	145.6 Å²	145.6	74%	0.738	76%	0.757	S	S	*	*			trans	69.5	84.5	157.4	-62.4	179.4	27.8	0	0	119.9
380	L	32.5	Very low	29.9	Very low	170 Å²	170	142.8 Å²	142.8	89%	0.89	75%	0.751	S	S	*	*			trans	-125.2	95.3	131.9	-86.9	175.2	0	0	0	110.6
381	K	32.6	Very low	29.8	Very low	182 Å²	182	140.1 Å²	140.1	79%	0.791	74%	0.742	S	S	*	*			trans	23.6	101.5	140.7	-64.2	178.8	-179.5	-179.6	0	117
382	T	29	Very low	29.8	Very low	120 Å²	120	141.7 Å²	141.7	74%	0.736	75%	0.749	S	S	*	*				65.2	110.3	87.2	61	0	0	0	0	116
383	N	31.5	Very low	30	Very low	148 Å²	148	138.8 Å²	138.8	79%	0.791	75%	0.748	S	S	*	*				-171.3	143.5	119.4	-95.3	-9.5	0	0	0	112.1
384	T	32.3	Very low	30	Very low	128 Å²	128	139.5 Å²	139.5	79%	0.785	75%	0.754	S	S	*	*			trans	48.6	138.6	154	51.5	0	0	0	0	121.4
385	S	32.5	Very low	30.1	Very low	93 Å²	93	136.9 Å²	136.9	65%	0.65	75%	0.751	S	S	*	*			cis	179	145.8	-12.1	45.6	0	0	0	0	110.2
386	V	31.2	Very low	30.2	Very low	131 Å²	131	136.8 Å²	136.8	79%	0.794	75%	0.751	S	S	*	*			trans	62	132.1	140	169.9	0	0	0	0	118.7
387	T	32.3	Very low	30.3	Very low	106 Å²	106	134.5 Å²	134.5	65%	0.65	74%	0.74	S	S	*	*			cis	-165.4	156.2	-11.9	27.7	0	0	0	0	110.5
388	N	32.6	Very low	30.6	Very low	123 Å²	123	134.5 Å²	134.5	66%	0.658	73%	0.732	S	S	*	*			trans	57.7	110.2	138.7	-60.7	-0.3	0	0	0	122.9
389	N	30.9	Very low	30.8	Very low	129 Å²	129	132.8 Å²	132.8	69%	0.69	73%	0.728	S	S	*	*				81.4	140.4	111	-60.7	-5.3	0	0	0	123.5
390	N	31.7	Very low	31	Very low	133 Å²	133	129.3 Å²	129.3	71%	0.711	72%	0.722	S	S	*	*			trans	80.5	95.3	138.1	-70	9.2	0	0	0	122
391	T	28.4	Very low	31	Very low	113 Å²	113	128 Å²	128	69%	0.693	72%	0.715	S	S	*	*				51.9	117.7	119	58.6	0	0	0	0	121.3
392	S	27.2	Very low	31.1	Very low	106 Å²	106	125.3 Å²	125.3	74%	0.741	71%	0.714	S	S	*	*			trans	75.1	164.8	133.1	79.9	0	0	0	0	119.3
393	S	31.7	Very low	31.2	Very low	109 Å²	109	124.3 Å²	124.3	76%	0.762	71%	0.712	S	S	*	*			trans	65.7	160.8	177.8	78.1	0	0	0	0	116
394	I	27.2	Very low	31.2	Very low	146 Å²	146	122.4 Å²	122.4	75%	0.749	71%	0.71	S	S	*	*				-172.6	134.5	-53.4	-111	165.3	0	0	0	105.9
395	T	28.1	Very low	31.1	Very low	105 Å²	105	122 Å²	122	64%	0.644	71%	0.708	S	S	*	*			trans	58.9	119.5	161.7	55.5	0	0	0	0	122.8
396	K	28.9	Very low	31	Very low	174 Å²	174	124.4 Å²	124.4	76%	0.757	71%	0.712	S	S	*	*				78.5	152.9	120.4	-68.6	173.8	-176.6	174.7	0	120.6
397	N	31	Very low	31	Very low	134 Å²	134	123.9 Å²	123.9	72%	0.717	71%	0.705	S	S	*	*			trans	74.7	137.6	150.8	-71.8	-1.4	0	0	0	116.6
398	K	32	Very low	30.9	Very low	155 Å²	155	127.1 Å²	127.1	67%	0.674	71%	0.709	S	S	*	*			cis	-170.8	173.3	-8.9	-132.5	177	158.5	-129	0	111.3
399	D	35.1	Very low	30.7	Very low	126 Å²	126	126.8 Å²	126.8	67%	0.674	71%	0.712	S	S	*	*			trans	65	149.1	152.5	-57.9	-25	0	0	0	117.6
400	S	33.5	Very low	30.6	Very low	85 Å²	85	130.1 Å²	130.1	59%	0.594	72%	0.723	S	S	*	*			cis	-166.7	162.5	-20.5	55.2	0	0	0	0	110.7
401	N	32.5	Very low	30.5	Very low	141 Å²	141	127.1 Å²	127.1	75%	0.754	72%	0.724	S	S	*	*			trans	68.2	148.2	156	-58.4	-22.9	0	0	0	117.3
402	T	32.9	Very low	30.6	Very low	127 Å²	127	129.7 Å²	129.7	78%	0.779	73%	0.733	S	S	*	*			cis	-167.2	154.6	-8.2	17.4	0	0	0	0	107
403	S	31.2	Very low	30.5	Very low	99 Å²	99	132.4 Å²	132.4	69%	0.692	74%	0.739	S	S	*	*			cis	-163.7	165.5	-7.8	-162.8	0	0	0	0	109.9
404	S	32.2	Very low	30.2	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	73%	0.734	S	S	*	*			trans	66.2	137.6	162.3	74.3	0	0	0	0	117.6
405	V	29.9	Very low	30.1	Very low	120 Å²	120	131.9 Å²	131.9	73%	0.727	74%	0.736	S	S	*	*			cis	-135.5	122.5	18	170.9	0	0	0	0	111.6
406	I	30	Very low	30.1	Very low	143 Å²	143	133.9 Å²	133.9	73%	0.733	74%	0.741	S	S	*	*			trans	37.3	125.2	136.9	-51.8	176.7	0	0	0	117.9
407	N	32.1	Very low	30	Very low	121 Å²	121	131.6 Å²	131.6	65%	0.647	74%	0.743	S	S	*	*			cis	-155.2	134.1	3.3	-112.4	-13.5	0	0	0	109.1
408	K	29.6	Very low	29.7	Very low	173 Å²	173	135.2 Å²	135.2	75%	0.752	75%	0.752	S	S	*	*				56.3	114.7	103.8	-64.3	-175.2	-174.8	174.4	0	116.2
409	T	27.9	Very low	29.5	Very low	117 Å²	117	131.7 Å²	131.7	72%	0.718	76%	0.76	S	S	*	*			cis	105.2	150	30.1	58.9	0	0	0	0	113.4
410	Q	30.3	Very low	29.2	Very low	198 Å²	198	135.1 Å²	135.1	93%	0.925	77%	0.769	S	S	*	*			trans	87.5	137.8	176.1	-54.1	177.3	-11	0	0	115.2
411	G	29.1	Very low	28.9	Very low	70 Å²	70	139.2 Å²	139.2	72%	0.722	78%	0.778	S	S	*	*			cis	162	168.4	-11.8	0	0	0	0	0	115.9
412	N	29.9	Very low	28.7	Very low	167 Å²	167	136.9 Å²	136.9	89%	0.893	77%	0.773	S	S	*	*			trans	71.1	134.5	163	-64	-12.8	0	0	0	120.8
413	L	25.6	Very low	28.6	Very low	164 Å²	164	138.5 Å²	138.5	86%	0.859	77%	0.772	S	S	*	*			trans	-69.2	148.3	166.3	-53.5	95.5	0	0	0	111.7
414	S	25	Very low	28.6	Very low	93 Å²	93	141.6 Å²	141.6	65%	0.65	78%	0.775	S	S	*	*				158.2	145.8	107.9	55.1	0	0	0	0	113.7
415	N	24.8	Very low	28.4	Very low	150 Å²	150	141.2 Å²	141.2	80%	0.802	77%	0.769	S	S	*	*			trans	65.1	158.8	174.4	-45.7	-43.7	0	0	0	112.5
416	I	28.8	Very low	28.3	Very low	147 Å²	147	144.1 Å²	144.1	75%	0.754	78%	0.779	S	S	*	*			cis	-160.4	129.8	45.4	-74.1	164.6	0	0	0	104.2
417	T	26	Very low	28.2	Very low	127 Å²	127	145.5 Å²	145.5	78%	0.779	78%	0.782	S	S	*	*				65.7	153	74.7	-43.7	0	0	0	0	114.9
418	F	25.1	Very low	28.2	Very low	210 Å²	210	145.6 Å²	145.6	92%	0.921	79%	0.792	S	S	*	*			trans	-41.1	149.7	-178.9	-75.8	-104.7	0	0	0	116.6
419	G	28.6	Very low	28.2	Very low	81 Å²	81	144 Å²	144	84%	0.835	79%	0.792	S	S	*	*			trans	-160.8	131.3	164.9	0	0	0	0	0	115.3
420	K	28.7	Very low	28.7	Very low	198 Å²	198	147.9 Å²	147.9	86%	0.861	80%	0.802	S	S	*	*			trans	-121.7	156.5	162.8	-84.4	-175.4	177.8	178.1	0	108.7
421	Q	26	Very low	28.6	Very low	170 Å²	170	145.2 Å²	145.2	79%	0.794	79%	0.794	S	S	*	*			trans	67.7	114.2	151.8	-79.5	173.3	-43.4	0	0	121
422	S	28.6	Very low	28.8	Very low	92 Å²	92	148.1 Å²	148.1	64%	0.643	80%	0.797	S	S	*	*				99.2	148.8	113.1	76.9	0	0	0	0	121.8
423	H	31.5	Very low	28.8	Very low	162 Å²	162	148.2 Å²	148.2	75%	0.75	79%	0.79	S	S	*	*			trans	68.8	158.7	159.5	-64.3	-54.5	0	0	0	117.4
424	Q	30.4	Very low	28.9	Very low	163 Å²	163	150.3 Å²	150.3	76%	0.762	79%	0.786	S	S	*	*			cis	-149.6	152	7.2	-140.2	154.6	46.3	0	0	114
425	T	27.5	Very low	29.2	Very low	100 Å²	100	151.5 Å²	151.5	61%	0.613	79%	0.785	S	S	*	*			trans	17	130.2	149.7	-50.6	0	0	0	0	122.3	Q427	T425-Q427 HydrophobicContact CG2-CB 4.31Å; T425-Q427 HydrophobicContact CG2-CG 3.81Å
426	L	28.6	Very low	29.4	Very low	181 Å²	181	150 Å²	150	95%	0.948	78%	0.777	S	S	*	*			trans	-121	132.8	135	-93.7	170.8	0	0	0	109.5
427	Q	28.1	Very low	29.5	Very low	172 Å²	172	149.6 Å²	149.6	80%	0.804	78%	0.777	S	S	*	*			trans	-122.4	129.8	174	-83.3	177.3	-6.8	0	0	109.3	T425	T425-Q427 HydrophobicContact CG2-CB 4.31Å; T425-Q427 HydrophobicContact CG2-CG 3.81Å
428	S	32.4	Very low	29.9	Very low	122 Å²	122	149.3 Å²	149.3	85%	0.853	78%	0.775	S	S	*	*			trans	-151.8	125	154.7	54.3	0	0	0	0	110.4
429	N	29.9	Very low	30.1	Very low	141 Å²	141	146.9 Å²	146.9	75%	0.754	77%	0.771	S	S	*	*			trans	-62	149.3	-173.4	-55.1	-62.3	0	0	0	113.1
430	H	37.2	Very low	30.5	Very low	197 Å²	197	148.4 Å²	148.4	91%	0.912	77%	0.767	S	S	*	*				-152	127.5	120.1	-112.5	-73.5	0	0	0	112.1
431	N	28.3	Very low	30.6	Very low	142 Å²	142	144.2 Å²	144.2	76%	0.759	76%	0.761	S	S	*	*			trans	-95.2	143.8	170.4	-85.8	-62.5	0	0	0	110.2
432	V	32.9	Very low	30.7	Very low	131 Å²	131	142.5 Å²	142.5	79%	0.794	76%	0.758	S	S	*	*			trans	173	101.3	141.1	148.5	0	0	0	0	105.5
433	K	31	Very low	30.9	Very low	169 Å²	169	144.2 Å²	144.2	74%	0.735	76%	0.76	S	S	*	*				66.7	106.8	84.4	-84.4	-173.7	176.4	174.3	0	115.3
434	R	28.4	Very low	30.9	Very low	208 Å²	208	146 Å²	146	79%	0.785	77%	0.765	S	S	*	*				81.8	133.2	126.2	-82.5	-170.7	-178.8	174.6	-2.1	121
435	N	31	Very low	30.9	Very low	119 Å²	119	141.8 Å²	141.8	64%	0.636	77%	0.766	S	S	*	*			trans	67.7	153.3	147.3	-62.7	47.7	0	0	0	116.5
436	D	29.3	Very low	31	Very low	117 Å²	117	145.7 Å²	145.7	63%	0.626	78%	0.775	S	S	*	*			cis	-164.7	161.7	-19.1	-102.7	-13.6	0	0	0	109.7
437	N	30.2	Very low	31.2	Very low	139 Å²	139	143.2 Å²	143.2	74%	0.743	76%	0.761	S	S	*	*			trans	67.4	152.7	146.5	-71.5	-29.7	0	0	0	123.7
438	T	33.6	Very low	31.4	Very low	121 Å²	121	141.1 Å²	141.1	74%	0.742	75%	0.751	S	S	*	*			trans	69.9	92.9	147.5	42.2	0	0	0	0	122.3
439	N	30.8	Very low	31.4	Very low	159 Å²	159	143.6 Å²	143.6	85%	0.85	75%	0.746	S	S	*	*				64.8	159.3	109.3	-81.2	0.3	0	0	0	123
440	P	36.6	Very low	31.4	Very low	113 Å²	113	140.6 Å²	140.6	73%	0.734	75%	0.749	S	S	*	*			trans	-120.8	169.2	-152.3	42.9	-32.3	0	0	0	116.1
441	C	29.5	Very low	31.1	Very low	111 Å²	111	141.4 Å²	141.4	75%	0.75	75%	0.75	S	S	*	*			trans	-163	131.2	144.7	-119.3	0	0	0	0	115.7
442	N	29.1	Very low	31.2	Very low	134 Å²	134	139.9 Å²	139.9	72%	0.717	75%	0.75	S	S	*	*			trans	26.4	124.4	138	-59.5	-33.5	0	0	0	121.6
443	N	32.1	Very low	30.9	Very low	128 Å²	128	141.2 Å²	141.2	68%	0.684	75%	0.753	S	S	*	*				-170.5	124.7	91.9	-99.1	-59.9	0	0	0	115.7
444	K	31.5	Very low	30.9	Very low	198 Å²	198	138.6 Å²	138.6	86%	0.861	75%	0.75	S	S	*	*			trans	43.2	117.3	135.7	-59.5	170.5	-172	170	0	120.3
445	G	30.6	Very low	30.9	Very low	76 Å²	76	135.3 Å²	135.3	78%	0.784	75%	0.748	S	S	*	*			trans	-168.5	37.7	173.8	0	0	0	0	0	118.1
446	F	30.9	Very low	31.1	Very low	182 Å²	182	135.7 Å²	135.7	80%	0.798	75%	0.749	S	S	*	*			trans	45.9	117.3	162.4	-90.8	-109	0	0	0	122.1
447	I	31.6	Very low	31.3	Very low	128 Å²	128	137.5 Å²	137.5	66%	0.656	76%	0.759	S	S	*	*				55.4	129.7	121.7	-62.6	-164	0	0	0	119.6
448	E	32.1	Very low	31.4	Very low	128 Å²	128	139 Å²	139	60%	0.598	76%	0.759	S	S	*	*			cis	-159.2	166.5	-5.8	-114.3	-170.9	173.2	0	0	112.5
449	K	33	Very low	31.3	Very low	174 Å²	174	139.6 Å²	139.6	76%	0.757	76%	0.764	S	S	*	*			trans	24.7	136.7	148.3	-59.4	165.2	-169.3	147.1	0	119.9
450	G	30.3	Very low	31.2	Very low	79 Å²	79	137.9 Å²	137.9	81%	0.814	76%	0.759	S	S	*	*			cis	174.9	144.7	1.2	0	0	0	0	0	111.5
451	K	30.2	Very low	30.8	Very low	213 Å²	213	140.2 Å²	140.2	93%	0.926	77%	0.765	S	S	*	*			trans	-88.7	151.7	-178.4	-58.1	173.1	-177.4	175.3	0	111
452	S	31.1	Very low	31	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	76%	0.763	S	S	*	*				-146	126.4	127.3	-165.2	0	0	0	0	109.7
453	L	27	Very low	31	Very low	160 Å²	160	142.4 Å²	142.4	84%	0.838	77%	0.768	S	S	*	*			trans	-113.2	112.5	177.2	-167.2	83.2	0	0	0	106.5
454	V	30.4	Very low	30.9	Very low	113 Å²	113	143.1 Å²	143.1	69%	0.685	77%	0.771	S	S	*	*			trans	-113.2	100	179.7	-177.5	0	0	0	0	108.3	I456	V454-I456 HydrophobicContact CG1-CD1 3.77Å; V454-I456 HydrophobicContact CG1-CG1 3.94Å
455	D	27.8	Very low	30.9	Very low	139 Å²	139	143 Å²	143	74%	0.743	77%	0.771	S	S	*	*			trans	-122.8	93.3	-179.9	-170.7	8.5	0	0	0	108
456	I	34.9	Very low	30.8	Very low	128 Å²	128	144 Å²	144	66%	0.656	77%	0.766	S	S	*	*			trans	-133.4	87.3	-168.8	-52.4	-177.7	0	0	0	110.9	V454	V454-I456 HydrophobicContact CG1-CD1 3.77Å; V454-I456 HydrophobicContact CG1-CG1 3.94Å
457	N	33.4	Very low	30.9	Very low	154 Å²	154	145 Å²	145	82%	0.824	77%	0.77	S	S	*	*			trans	-98.2	75	155.8	-90.7	-59	0	0	0	109.8
458	K	32.9	Very low	30.7	Very low	171 Å²	171	145.8 Å²	145.8	74%	0.743	77%	0.774	S	S	*	*			trans	-143.2	123.6	167.1	-80	-169.2	176.7	178.4	0	111.1
459	P	31.7	Very low	30.7	Very low	133 Å²	133	147 Å²	147	86%	0.864	79%	0.785	S	S	*	*			trans	-73.6	127.7	168.3	30.6	-32	0	0	0	109.5
460	V	29.5	Very low	30.5	Very low	123 Å²	123	146 Å²	146	75%	0.745	78%	0.783	S	S	*	*			trans	-95.2	115.2	175.3	178	0	0	0	0	109.2	I462	V460-I462 HydrophobicContact CG1-CG1 4.35Å
461	L	28.4	Very low	30.6	Very low	162 Å²	162	147.9 Å²	147.9	85%	0.848	77%	0.774	S	S	*	*			trans	-74.4	118.2	162.8	-82.3	157.5	0	0	0	108.4
462	I	32.2	Very low	30.8	Very low	140 Å²	140	144.8 Å²	144.8	72%	0.718	76%	0.763	S	S	*	*			trans	-88.9	111.2	169.6	-59.1	177.3	0	0	0	107.6	V460	V460-I462 HydrophobicContact CG1-CG1 4.35Å
463	N	30.3	Very low	30.8	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	76%	0.76	S	S	*	*			trans	-115.2	121	163.6	-88.5	-9.7	0	0	0	107.4
464	D	30.1	Very low	31.1	Very low	142 Å²	142	145.4 Å²	145.4	76%	0.759	76%	0.755	S	S	*	*			trans	-70.9	136.1	176.4	-65.4	-59.7	0	0	0	112.4
465	K	31.6	Very low	31	Very low	196 Å²	196	146.2 Å²	146.2	85%	0.852	76%	0.756	S	S	*	*			trans	-175.9	109.5	134.4	-103.2	157.6	-174	176.4	0	115.3
466	S	28.3	Very low	31.4	Very low	97 Å²	97	146.3 Å²	146.3	68%	0.678	76%	0.756	S	S	*	*			trans	46.5	114.5	131.9	64.1	0	0	0	0	121.6
467	K	31.9	Very low	31.3	Very low	202 Å²	202	147.8 Å²	147.8	88%	0.878	76%	0.76	S	S	*	*			trans	-179.4	107.1	132.6	-97.9	166.7	-178	-169.8	0	106
468	I	27.9	Very low	31.3	Very low	146 Å²	146	146.2 Å²	146.2	75%	0.749	75%	0.752	S	S	*	*				59.7	105.1	68.6	-55.9	178.5	0	0	0	111.8
469	D	32.7	Very low	31.5	Very low	154 Å²	154	145.2 Å²	145.2	82%	0.824	76%	0.755	S	S	*	*			trans	-178	146.1	143.3	-84.1	-20.7	0	0	0	106
470	E	28.9	Very low	31.3	Very low	153 Å²	153	145.8 Å²	145.8	72%	0.715	75%	0.75	S	S	*	*			cis	-160.2	163.6	-37	-155.1	-168.7	-134.8	0	0	107.3
471	N	32.1	Very low	31.6	Very low	118 Å²	118	148.3 Å²	148.3	63%	0.631	76%	0.758	S	S	*	*			trans	72.7	144.9	173.6	-60.2	-73.6	0	0	0	116.5
472	H	33.3	Very low	31.8	Very low	148 Å²	148	148.3 Å²	148.3	69%	0.685	75%	0.754	S	S	*	*			cis	-157.7	135.2	11.3	-134.6	37.3	0	0	0	111.1
473	I	31.9	Very low	31.9	Very low	139 Å²	139	149.6 Å²	149.6	71%	0.713	76%	0.76	S	S	*	*			trans	35	141.6	150.9	18.9	174.9	0	0	0	121.3
474	I	32.5	Very low	31.9	Very low	143 Å²	143	149.1 Å²	149.1	73%	0.733	75%	0.753	S	S	*	*			cis	-144.5	158.3	26.2	-58.9	177.9	0	0	0	111.3
475	N	29.4	Very low	32.1	Very low	131 Å²	131	146.1 Å²	146.1	70%	0.701	74%	0.74	S	S	*	*			trans	-18.9	159.1	162.2	-40.1	-5.3	0	0	0	118.6
476	D	35.4	Very low	32.2	Very low	141 Å²	141	144.9 Å²	144.9	75%	0.754	74%	0.735	S	S	*	*			cis	-139.1	160.7	41.8	-78.2	-44	0	0	0	117.9
477	Q	32.5	Very low	32.3	Very low	158 Å²	158	146.9 Å²	146.9	74%	0.738	74%	0.737	S	S	*	*			trans	-29.5	160.5	160.6	-69.2	176.8	-85.9	0	0	118.3
478	D	34.3	Very low	32.2	Very low	122 Å²	122	146.7 Å²	146.7	65%	0.652	74%	0.739	S	S	*	*			cis	-160.3	176.9	12.6	-128.7	-31	0	0	0	115.1
479	N	36	Very low	32.4	Very low	150 Å²	150	148.1 Å²	148.1	80%	0.802	74%	0.74	S	S	*	*			trans	82.3	105.6	162.7	-65.8	-56.4	0	0	0	121.5
480	N	28.4	Very low	32.4	Very low	144 Å²	144	147.7 Å²	147.7	77%	0.77	74%	0.735	S	S	*	*			trans	-89.9	169.9	162.5	-91.6	-70.2	0	0	0	112.7
481	I	35.8	Very low	32.6	Very low	177 Å²	177	146.1 Å²	146.1	91%	0.908	73%	0.732	S	S	*	*			trans	-164.1	148.3	131.6	-102.1	154.3	0	0	0	110.6
482	Q	31.6	Very low	32.7	Very low	161 Å²	161	147.9 Å²	147.9	75%	0.752	74%	0.741	S	S	*	*			trans	-121.4	154.5	-164.8	-56	167.4	-50.5	0	0	114.8
483	I	34.2	Very low	32.8	Very low	167 Å²	167	146.6 Å²	146.6	86%	0.856	74%	0.743	S	S	*	*			trans	-151.3	144.7	134.9	9	173.5	0	0	0	108.2
484	E	30.9	Very low	32.9	Very low	143 Å²	143	144.3 Å²	144.3	67%	0.668	74%	0.739	S	S	*	*			cis	75.2	128.4	21.3	-74.3	-77.1	114	0	0	115.3
485	T	34.4	Very low	33	Very low	79 Å²	79	145.1 Å²	145.1	49%	0.485	75%	0.745	S	S	.	*			cis	-162.4	177.7	-1.4	-15.1	0	0	0	0	112.9
486	K	34.1	Very low	33.3	Very low	170 Å²	170	142.8 Å²	142.8	74%	0.739	74%	0.744	S	S	*	*			trans	79.5	150.5	147.6	-72.3	147.8	-167.8	159.6	0	118.4
487	L	29.8	Very low	33.2	Very low	139 Å²	139	141.8 Å²	141.8	73%	0.728	74%	0.743	S	S	*	*			cis	-169.7	150.4	-21.2	-117.4	179.2	0	0	0	109.7
488	Q	29.8	Very low	33.3	Very low	197 Å²	197	143.3 Å²	143.3	92%	0.921	75%	0.747	S	S	*	*			trans	-171.4	161.5	144.4	-107.9	165.6	25.7	0	0	111.5
489	K	33.1	Very low	33.3	Very low	176 Å²	176	141.9 Å²	141.9	77%	0.765	75%	0.747	S	S	*	*			trans	-144.3	137.5	-170.8	-83.3	-169.5	175.5	-173.7	0	114.8
490	M	32.2	Very low	33.3	Very low	145 Å²	145	141.3 Å²	141.3	71%	0.714	74%	0.744	S	S	*	*			trans	51.4	111.4	132.4	-58	-179.8	79.2	0	0	122.2
491	D	32.4	Very low	33.7	Very low	121 Å²	121	143.1 Å²	143.1	65%	0.647	75%	0.748	S	S	*	*				74.6	148.3	117	-49.8	-25.2	0	0	0	124.3
492	N	35.5	Very low	33.5	Very low	155 Å²	155	140.1 Å²	140.1	83%	0.829	74%	0.742	S	S	*	*			trans	90.3	146.8	167.9	-51.8	-60.6	0	0	0	118.5
493	V	34.6	Very low	34	Very low	120 Å²	120	138.5 Å²	138.5	73%	0.727	75%	0.746	S	S	*	*			cis	-172.5	149.4	-43.7	126.4	0	0	0	0	108.4
494	S	33.4	Very low	34	Very low	91 Å²	91	133.8 Å²	133.8	64%	0.636	74%	0.738	S	S	*	*			trans	58.2	123.6	163.3	63	0	0	0	0	122.8
495	D	35.1	Very low	34.1	Very low	161 Å²	161	135.1 Å²	135.1	86%	0.861	75%	0.748	S	S	*	*				92.3	139.5	125.2	-67.3	-0.8	0	0	0	126.2
496	A	34.8	Very low	34.1	Very low	81 Å²	81	139 Å²	139	67%	0.669	76%	0.76	S	S	*	*			trans	82.8	90.9	143.4	0	0	0	0	0	123.4
497	T	34.1	Very low	34.3	Very low	121 Å²	121	138 Å²	138	74%	0.742	76%	0.756	S	S	*	*				72.1	123.3	124.7	55.5	0	0	0	0	124.6
498	K	34.8	Very low	34.5	Very low	189 Å²	189	137.6 Å²	137.6	82%	0.822	75%	0.751	S	S	*	*			trans	87.7	139.1	130.3	-75.9	177.1	177.6	-178.6	0	123.1
499	S	34.9	Very low	34.8	Very low	92 Å²	92	135.1 Å²	135.1	64%	0.643	74%	0.742	S	S	*	*			trans	65.7	102	144.8	54.5	0	0	0	0	122.6
500	D	36.2	Very low	34.9	Very low	139 Å²	139	132 Å²	132	74%	0.743	74%	0.743	S	S	*	*				85.5	133	112	-54.8	-31.7	0	0	0	124.7
501	H	36.2	Very low	35.1	Very low	182 Å²	182	130 Å²	130	84%	0.843	74%	0.742	S	S	*	*			trans	77.3	142.8	152.7	-64.7	-47	0	0	0	123.2
502	S	30.6	Very low	35.1	Very low	113 Å²	113	131.4 Å²	131.4	79%	0.79	75%	0.745	S	S	*	*			trans	-101.4	-159.1	-177.3	-42.7	0	0	0	0	109.8
503	P	42.1	Very low	35.1	Very low	128 Å²	128	131.1 Å²	131.1	83%	0.831	74%	0.737	S	S	*	*			cis	-141.3	174.4	-8.4	39.9	-21	0	0	0	117.5
504	G	34.1	Very low	35.2	Very low	67 Å²	67	134.5 Å²	134.5	69%	0.691	74%	0.742	S	S	*	*				117.7	156.5	124.8	0	0	0	0	0	121.8
505	I	34.7	Very low	35.2	Very low	172 Å²	172	134.7 Å²	134.7	88%	0.882	74%	0.743	S	S	*	*			trans	74	147.6	157.5	-54.1	173.7	0	0	0	117.2
506	Q	33.3	Very low	34.9	Very low	159 Å²	159	135.2 Å²	135.2	74%	0.743	75%	0.745	S	S	*	*				-170.5	171.7	-51.2	-131	-175.5	42.5	0	0	110.3
507	K	37.9	Very low	35	Very low	151 Å²	151	137.4 Å²	137.4	66%	0.657	75%	0.752	S	S	*	*			trans	69.4	159.4	164.6	-67.9	161.5	152.5	-80.9	0	117.1
508	E	33.8	Very low	34.9	Very low	130 Å²	130	136.2 Å²	136.2	61%	0.607	76%	0.755	S	S	*	*			cis	-147.1	130.2	-4.5	-145.7	112.9	-135.6	0	0	113.4
509	I	36.6	Very low	34.7	Very low	144 Å²	144	134.2 Å²	134.2	74%	0.738	75%	0.748	S	S	*	*			trans	36.9	123.9	132.7	-59.6	171.9	0	0	0	122.9
510	S	34.7	Very low	34.5	Very low	112 Å²	112	139.3 Å²	139.3	78%	0.783	75%	0.753	S	S	*	*			trans	-176.2	-173.5	145.5	-80.4	0	0	0	0	109.7
511	S	36.7	Very low	34.4	Very low	101 Å²	101	136.8 Å²	136.8	71%	0.706	75%	0.752	S	S	*	*				-172.4	150.2	-76.2	56.6	0	0	0	0	108.8
512	E	33.6	Very low	34	Very low	151 Å²	151	134.3 Å²	134.3	71%	0.706	75%	0.75	S	S	*	*			cis	-164.8	161.2	-14.7	-78.6	-101.3	113	0	0	104.4
513	K	35.4	Very low	34.1	Very low	150 Å²	150	135.6 Å²	135.6	65%	0.652	75%	0.747	S	S	*	*			cis	174	175	-16	-170.4	164	-178.9	170	0	109.1
514	K	35.2	Very low	33.5	Very low	190 Å²	190	136.7 Å²	136.7	83%	0.826	75%	0.746	S	S	*	*			trans	74.4	159.5	170.3	-53.1	172.1	-177.9	171.1	0	117.3
515	S	34	Very low	33.5	Very low	96 Å²	96	137.5 Å²	137.5	67%	0.671	75%	0.745	S	S	*	*				-179.3	119.7	-65.8	48.4	0	0	0	0	114.2
516	L	29.2	Very low	33.3	Very low	171 Å²	171	137.2 Å²	137.2	90%	0.895	74%	0.741	S	S	*	*			trans	56.9	175.3	148.7	-72	165.4	0	0	0	118.7
517	P	36	Very low	33.2	Very low	127 Å²	127	136.9 Å²	136.9	83%	0.825	74%	0.739	S	S	*	*			cis	-117.6	-139.6	-8.9	40.1	-23.1	0	0	0	113.1
518	A	32.3	Very low	33	Very low	96 Å²	96	137 Å²	137	79%	0.793	75%	0.747	S	S	*	*			trans	-123.8	-174.6	-157	0	0	0	0	0	116
519	E	30.7	Very low	32.8	Very low	147 Å²	147	135.7 Å²	135.7	69%	0.687	75%	0.752	S	S	*	*			trans	101.5	133	163.1	-80.1	-145	102.5	0	0	121.5
520	R	32	Very low	32.8	Very low	199 Å²	199	135.2 Å²	135.2	75%	0.751	76%	0.758	S	S	*	*			trans	71.8	108.3	149.3	-69.9	174.8	-158.3	174.2	19.6	122
521	A	32.6	Very low	32.7	Very low	86 Å²	86	139.1 Å²	139.1	71%	0.711	76%	0.761	S	S	*	*				97.5	112.2	112.8	0	0	0	0	0	121.6
522	V	29	Very low	32.5	Very low	131 Å²	131	142.2 Å²	142.2	79%	0.794	77%	0.769	S	S	*	*				76.1	132.3	121.2	175.8	0	0	0	0	120.2
523	L	32	Very low	32.5	Very low	139 Å²	139	140.5 Å²	140.5	73%	0.728	77%	0.771	S	S	*	*			trans	77.7	110.3	163	-75.3	163.3	0	0	0	121.3
524	N	29.5	Very low	32.1	Very low	152 Å²	152	141.1 Å²	141.1	81%	0.813	78%	0.778	S	S	*	*				84.7	153.5	129.1	-77.1	-0.8	0	0	0	124.1
525	A	33.5	Very low	32	Very low	83 Å²	83	139.8 Å²	139.8	69%	0.686	78%	0.78	S	S	*	*			trans	89	83.7	154.3	0	0	0	0	0	120.7
526	Q	31	Very low	31.8	Very low	167 Å²	167	142.7 Å²	142.7	78%	0.78	78%	0.781	S	S	*	*				80.6	135.7	116.6	-77.2	173.4	-25.2	0	0	123.1
527	Q	32.3	Very low	32	Very low	151 Å²	151	140.8 Å²	140.8	71%	0.706	78%	0.776	S	S	*	*			trans	65.6	104.8	147.1	-65	172	20.7	0	0	119.6
528	N	33.1	Very low	31.7	Very low	153 Å²	153	143.3 Å²	143.3	82%	0.818	77%	0.77	S	S	*	*				-164.3	166.3	86.2	-95.4	-51.1	0	0	0	112.9
529	S	29.4	Very low	31.8	Very low	103 Å²	103	144 Å²	144	72%	0.72	76%	0.761	S	S	*	*			trans	-148.3	169.6	-178.5	-51.3	0	0	0	0	110.4
530	P	36.7	Very low	31.9	Very low	135 Å²	135	144.1 Å²	144.1	88%	0.877	76%	0.759	S	S	*	*				-129.6	163.4	123.2	5.6	15.9	0	0	0	114.2
531	K	32.1	Very low	32	Very low	193 Å²	193	142.5 Å²	142.5	84%	0.839	77%	0.766	S	S	*	*			trans	-116.7	166.4	172.7	-53	169.3	-177.4	171.2	0	108.9
532	L	34	Very low	31.9	Very low	167 Å²	167	143.8 Å²	143.8	87%	0.874	76%	0.764	S	S	*	*			trans	-169.8	162.2	147.5	-102.5	158.7	0	0	0	108.9
533	P	33.3	Very low	32	Very low	114 Å²	114	144.7 Å²	144.7	74%	0.74	76%	0.764	S	S	*	*				-122.7	171.7	-98	42.3	-32.6	0	0	0	116.7
534	M	27	Very low	31.9	Very low	164 Å²	164	146.4 Å²	146.4	81%	0.808	77%	0.769	S	S	*	*			trans	-77.5	158.4	164	-77.3	-87.6	-68.4	0	0	111.9
535	N	33.4	Very low	31.8	Very low	161 Å²	161	146.2 Å²	146.2	86%	0.861	77%	0.766	S	S	*	*			trans	-123.1	154.6	162.3	-143.6	-5.6	0	0	0	110.8
536	K	28	Very low	31.6	Very low	158 Å²	158	147.7 Å²	147.7	69%	0.687	77%	0.769	S	S	*	*			trans	-146.2	134.4	-172.1	-75.5	-176.1	176.4	-177.9	0	113.8
537	T	33.6	Very low	31.4	Very low	131 Å²	131	149.2 Å²	149.2	80%	0.804	77%	0.773	S	S	*	*			trans	-160.4	117.5	152.4	14.8	0	0	0	0	106.6
538	Y	30.1	Very low	31.4	Very low	179 Å²	179	150.9 Å²	150.9	70%	0.702	78%	0.781	S	S	*	*				64.3	131.2	81.5	-68.7	-63.7	0	0	0	112.6
539	D	34.6	Very low	31.2	Very low	111 Å²	111	150 Å²	150	59%	0.594	78%	0.776	S	S	*	*			cis	-131.2	153	16.4	-92.8	-45.7	0	0	0	113.8
540	K	31.7	Very low	31.2	Very low	149 Å²	149	153.3 Å²	153.3	65%	0.648	79%	0.785	S	S	*	*				45.7	131.1	98.3	-48	-174.3	-159.1	96.8	0	113.6
541	D	34.5	Very low	30.8	Very low	166 Å²	166	152.8 Å²	152.8	89%	0.888	78%	0.775	S	S	*	*			cis	-125.5	178.6	46.3	-99.3	-40.8	0	0	0	118
542	V	30.9	Very low	30.7	Very low	113 Å²	113	150.7 Å²	150.7	69%	0.685	77%	0.773	S	S	*	*			trans	-115.1	139.2	-163.7	174.7	0	0	0	0	113.1
543	N	32.1	Very low	30.5	Very low	149 Å²	149	150.6 Å²	150.6	80%	0.797	77%	0.772	S	S	*	*			trans	-146.8	158.9	141.6	-117.7	-47.4	0	0	0	111.9
544	Q	30.1	Very low	30.2	Very low	176 Å²	176	151.3 Å²	151.3	82%	0.822	77%	0.774	S	S	*	*			trans	-85.1	156.2	-144.8	-58.3	-176.5	10.2	0	0	116.6
545	I	26	Very low	30.2	Very low	147 Å²	147	154.3 Å²	154.3	75%	0.754	78%	0.777	S	S	*	*			trans	-112.6	122.9	-175.7	-62.7	167.6	0	0	0	110.6
546	P	28.7	Very low	29.9	Very low	114 Å²	114	152.6 Å²	152.6	74%	0.74	78%	0.776	S	S	*	*			trans	-68.3	125.5	159.4	-15.6	30.8	0	0	0	110	E548	P546-E548 PolarHBondContact O-N 2.95Å
547	K	27.2	Very low	29.8	Very low	199 Å²	199	153.2 Å²	153.2	87%	0.865	79%	0.787	S	S	*	*			trans	-79.4	106.5	176.1	-62.8	172.5	-175.7	170.7	0	109.6
548	E	32.7	Very low	29.5	Very low	186 Å²	186	151 Å²	151	87%	0.869	78%	0.782	S	S	*	*			trans	-91.2	147.6	167.3	-68.6	-169.2	152.3	0	0	111.3	P546	P546-E548 PolarHBondContact O-N 2.95Å
549	N	29.8	Very low	29.4	Very low	135 Å²	135	150.3 Å²	150.3	72%	0.722	79%	0.791	S	S	*	*			trans	-86.4	132.1	-157.5	-70.3	-66.9	0	0	0	114.1	N551	N549-N551 HydrophobicContact CB-CB 4.15Å; N549-N551 PolarHBondContact O-N 2.97Å
550	N	28.7	Very low	29.2	Very low	172 Å²	172	150.9 Å²	150.9	92%	0.92	80%	0.798	S	S	*	*			trans	-69.1	80	158.3	-81.2	-29.8	0	0	0	110.1
551	N	28.2	Very low	29	Very low	124 Å²	124	151 Å²	151	66%	0.663	81%	0.805	S	S	*	*			trans	-144.2	35.2	-178.3	-99.9	-33.9	0	0	0	114.4	N549	N549-N551 HydrophobicContact CB-CB 4.15Å; N549-N551 PolarHBondContact O-N 2.97Å
552	D	29.9	Very low	28.7	Very low	149 Å²	149	150.7 Å²	150.7	80%	0.797	80%	0.802	S	S	*	*			trans	-131.7	52.9	178.5	-110.4	-38.6	0	0	0	114.3
553	I	30.6	Very low	28.5	Very low	166 Å²	166	151.7 Å²	151.7	85%	0.851	81%	0.809	S	S	*	*	S	Bend	trans	-122	20.5	171.1	-39.7	-175.1	0	0	0	111.6
554	T	27.4	Very low	28.2	Very low	128 Å²	128	150.8 Å²	150.8	79%	0.785	81%	0.809	S	S	*	*	S	Bend	trans	-142.2	30.7	-174.4	41.5	0	0	0	0	116.1
555	R	26.2	Very low	28.2	Very low	227 Å²	227	151.2 Å²	151.2	86%	0.857	81%	0.811	S	S	*	*			trans	-145.4	87.5	172.3	-109.3	169	-176.2	156.1	0.9	115.2
556	C	26.9	Very low	28.5	Very low	125 Å²	125	153.7 Å²	153.7	85%	0.845	82%	0.819	S	S	*	*			trans	-169.9	32.7	148.5	-114	0	0	0	0	114.8	A558	C556-A558 PolarHBondContact O-N 3.01Å
557	N	26.3	Very low	28.5	Very low	171 Å²	171	155.1 Å²	155.1	91%	0.914	82%	0.82	S	S	*	*			trans	-89	73.7	167.9	-85.7	-10	0	0	0	109.9
558	A	27.4	Very low	28.5	Very low	86 Å²	86	152.1 Å²	152.1	71%	0.711	81%	0.813	S	S	*	*			trans	-112.9	53.7	-176.5	0	0	0	0	0	112.5	C556	C556-A558 PolarHBondContact O-N 3.01Å
559	N	27.5	Very low	28.4	Very low	164 Å²	164	150.3 Å²	150.3	88%	0.877	81%	0.809	S	S	*	*			trans	-134.5	69.3	163.7	-94.4	-53.5	0	0	0	108.3
560	V	30.4	Very low	28.4	Very low	123 Å²	123	148.2 Å²	148.2	75%	0.745	81%	0.805	S	S	*	*			trans	-78.8	129.6	173.3	175.9	0	0	0	0	108.3	I562	V560-I562 PolarHBondContact O-N 3.32Å
561	N	27.1	Very low	28.5	Very low	151 Å²	151	147.4 Å²	147.4	81%	0.807	80%	0.801	S	S	*	*			trans	-65.1	118.2	177.7	-67.3	-38.9	0	0	0	110.5
562	I	28.2	Very low	28.6	Very low	159 Å²	159	146.1 Å²	146.1	82%	0.815	81%	0.808	S	S	*	*			trans	-97.4	88.3	167.6	-56.9	179	0	0	0	108.1	V560	V560-I562 PolarHBondContact O-N 3.32Å
563	T	26.7	Very low	28.8	Very low	135 Å²	135	144.4 Å²	144.4	83%	0.828	81%	0.805	S	S	*	*			trans	-151	74.5	164	-48.6	0	0	0	0	109.2
564	T	27.4	Very low	28.8	Very low	129 Å²	129	143.8 Å²	143.8	79%	0.791	80%	0.803	S	S	*	*			trans	-130.2	91.9	175.2	-40.3	0	0	0	0	108.9
565	Q	29.6	Very low	28.9	Very low	185 Å²	185	143.1 Å²	143.1	86%	0.864	80%	0.798	S	S	*	*			trans	161.1	93.2	157.4	-94.5	174.4	26.1	0	0	109.3
566	Q	31.9	Very low	29	Very low	200 Å²	200	138 Å²	138	94%	0.935	79%	0.792	S	S	*	*				-169.1	142.1	116.2	-99.2	166.3	12.3	0	0	108.1
567	N	28.6	Very low	29.1	Very low	143 Å²	143	137 Å²	137	77%	0.765	78%	0.782	S	S	*	*			trans	-119.7	144.7	-163	-136.6	4	0	0	0	109.1
568	L	27.4	Very low	29.3	Very low	137 Å²	137	135.5 Å²	135.5	72%	0.717	78%	0.775	S	S	*	*			trans	55.5	111.8	155.9	-54.2	167.1	0	0	0	116
569	N	30	Very low	29.3	Very low	147 Å²	147	136.9 Å²	136.9	79%	0.786	77%	0.77	S	S	*	*				-173.1	158.5	77	-102.9	-26	0	0	0	115.6
570	S	30.6	Very low	29.4	Very low	91 Å²	91	136.1 Å²	136.1	64%	0.636	76%	0.764	S	S	*	*			trans	57.7	111.7	145.2	64.6	0	0	0	0	122.9
571	N	30.4	Very low	29.3	Very low	155 Å²	155	136.6 Å²	136.6	83%	0.829	76%	0.761	S	S	*	*				87.8	106.4	120	-61.2	0.6	0	0	0	122.9
572	A	30.1	Very low	29.3	Very low	97 Å²	97	134.5 Å²	134.5	80%	0.802	75%	0.754	S	S	*	*				96.6	149.6	120.9	0	0	0	0	0	121.1
573	P	34.7	Very low	29.4	Very low	113 Å²	113	133.1 Å²	133.1	73%	0.734	75%	0.753	S	S	*	*			trans	-132.9	175.4	-165.6	44.1	-26.9	0	0	0	116.7
574	D	31	Very low	29.5	Very low	153 Å²	153	130.6 Å²	130.6	82%	0.818	75%	0.746	S	S	*	*			trans	-154.7	141	151.4	-88.4	-45.9	0	0	0	107.2
575	V	28.2	Very low	29.6	Very low	114 Å²	114	128.7 Å²	128.7	69%	0.691	74%	0.744	S	S	*	*			cis	73.9	114.5	46.7	-175.2	0	0	0	0	110.1
576	V	29.8	Very low	29.6	Very low	119 Å²	119	125.4 Å²	125.4	72%	0.721	74%	0.736	S	S	*	*				-154.6	123.9	66.9	165.5	0	0	0	0	109.6
577	T	27.8	Very low	29.6	Very low	105 Å²	105	122.1 Å²	122.1	64%	0.644	73%	0.725	S	S	*	*				60	123.3	82.1	-3.9	0	0	0	0	119.5
578	N	30.5	Very low	29.7	Very low	140 Å²	140	121.6 Å²	121.6	75%	0.749	72%	0.722	S	S	*	*			trans	141.2	153.2	142.4	-76.3	-32.7	0	0	0	114.4
579	N	27.8	Very low	29.9	Very low	115 Å²	115	121 Å²	121	62%	0.615	72%	0.72	S	S	*	*			cis	-174.3	-179.3	-46	-112.4	-37.2	0	0	0	109.3
580	I	29.7	Very low	30	Very low	148 Å²	148	121.2 Å²	121.2	76%	0.759	72%	0.716	S	S	*	*			trans	77.4	110.6	170.9	-54.2	166.8	0	0	0	113.1
581	I	27.8	Very low	29.8	Very low	133 Å²	133	122.9 Å²	122.9	68%	0.682	72%	0.722	S	S	*	*			cis	77	133.7	35.3	-39.5	158.7	0	0	0	109.7
582	T	28.2	Very low	29.6	Very low	106 Å²	106	120.5 Å²	120.5	65%	0.65	72%	0.718	S	S	*	*			cis	-172.8	152.6	46.5	-27.2	0	0	0	0	112.1
583	T	29.9	Very low	29.5	Very low	130 Å²	130	120.9 Å²	120.9	80%	0.798	71%	0.714	S	S	*	*			trans	55.8	160.4	147.1	46.9	0	0	0	0	123.3
584	A	27.5	Very low	29	Very low	82 Å²	82	122.3 Å²	122.3	68%	0.678	72%	0.721	S	S	*	*			cis	179.8	162.8	-35	0	0	0	0	0	111.2
585	A	29.7	Very low	28.7	Very low	90 Å²	90	123.1 Å²	123.1	74%	0.744	72%	0.717	S	S	*	*			trans	70.5	150.2	149.8	0	0	0	0	0	118.8
586	T	30.1	Very low	28.5	Very low	115 Å²	115	125.9 Å²	125.9	71%	0.706	73%	0.727	S	S	*	*			cis	-165.7	158.2	-11.1	15.7	0	0	0	0	111.3
587	N	32.2	Very low	28.3	Very low	131 Å²	131	127.4 Å²	127.4	70%	0.701	73%	0.731	S	S	*	*			trans	68.8	151.2	148.4	-65.5	-7.6	0	0	0	120.4
588	N	31.1	Very low	28.2	Very low	132 Å²	132	130.2 Å²	130.2	71%	0.706	74%	0.742	S	S	*	*			cis	-166.1	161.3	-32.5	-119.9	-4.2	0	0	0	113
589	N	30.8	Very low	28.1	Very low	125 Å²	125	127.8 Å²	127.8	67%	0.668	73%	0.731	S	S	*	*			trans	81.2	147.5	149.9	-68	7	0	0	0	124.1
590	H	31.6	Very low	28.2	Very low	152 Å²	152	126.6 Å²	126.6	70%	0.704	73%	0.732	S	S	*	*			trans	76.8	78.4	158.2	-70.9	-58.2	0	0	0	123.7
591	T	26.3	Very low	28.3	Very low	126 Å²	126	123.3 Å²	123.3	77%	0.773	72%	0.716	S	S	*	*				44.4	91.9	113.4	58.6	0	0	0	0	119.9
592	S	26.7	Very low	28.4	Very low	104 Å²	104	119.3 Å²	119.3	73%	0.727	71%	0.708	S	S	*	*			trans	-153.9	128.9	148.2	61.9	0	0	0	0	111.2
593	S	27.2	Very low	28.5	Very low	105 Å²	105	115.9 Å²	115.9	73%	0.734	69%	0.69	S	S	*	*			trans	24.4	98.6	163.5	59.7	0	0	0	0	117.5	K595	S593-K595 PolarHBondContact O-N 3.47Å
594	V	25	Very low	28.6	Very low	144 Å²	144	114.1 Å²	114.1	87%	0.873	67%	0.673	S	S	*	*			trans	-67.8	96.7	173	-178.5	0	0	0	0	110.1
595	K	25.1	Very low	28.9	Very low	169 Å²	169	115.7 Å²	115.7	74%	0.735	67%	0.666	S	S	*	*			trans	-59.8	134.9	160.5	-70.8	-178.7	176.9	178.6	0	108.4	S593 L597	S593-K595 PolarHBondContact O-N 3.47Å; K595-L597 PolarHBondContact O-N 3.14Å
596	L	23.4	Very low	28.9	Very low	172 Å²	172	118.6 Å²	118.6	90%	0.901	66%	0.662	S	S	*	*			trans	-63.5	109.8	162.5	-124	73.2	0	0	0	106.9
597	L	25.9	Very low	28.9	Very low	152 Å²	152	114.3 Å²	114.3	80%	0.796	64%	0.635	S	S	*	*			trans	-76	134.7	175.8	-74.9	166.7	0	0	0	109.3	K595 V599	K595-L597 PolarHBondContact O-N 3.14Å; L597-V599 PolarHBondContact O-N 3.47Å
598	D	25.1	Very low	28.9	Very low	164 Å²	164	112.1 Å²	112.1	88%	0.877	62%	0.622	S	S	*	*			trans	-58.5	106.2	179.2	-69.8	-65.2	0	0	0	111.4	S600	D598-S600 PolarHBondContact O-N 3.25Å; D598-S600 VanDerWaalsContact O-N 3.09Å
599	V	28.4	Very low	28.9	Very low	88 Å²	88	106.6 Å²	106.6	53%	0.533	60%	0.597	S	S	.	*			trans	-70.7	104.6	165	179.2	0	0	0	0	106.7	L597 D601 A603 Q604	L597-V599 PolarHBondContact O-N 3.47Å; V599-D601 PolarHBondContact O-N 3.02Å; V599-A603 HydrophobicContact CG1-CB 4.18Å; V599-Q604 HydrophobicContact CG1-CG 4Å
600	S	29.6	Very low	28.9	Very low	90 Å²	90	106.8 Å²	106.8	63%	0.629	60%	0.597	S	S	*	*			trans	-55.7	135.1	-174.7	60.1	0	0	0	0	111.9	D598 G602 A603	D598-S600 PolarHBondContact O-N 3.25Å; D598-S600 VanDerWaalsContact O-N 3.09Å; S600-G602 PolarHBondContact O-N 2.86Å; S600-A603 PolarHBondContact O-N 3.14Å
601	D	33.7	Very low	28.8	Very low	79 Å²	79	103.9 Å²	103.9	42%	0.422	59%	0.593	S	S	.	*	H	α-helix	trans	-47.1	-35.2	-168.2	-129.7	-53.8	0	0	0	113.1	V599 A603 Q604 Q605 K799	V599-D601 PolarHBondContact O-N 3.02Å; D601-A603 VanDerWaalsContact C-N 3.3Å; D601-A603 PolarHBondContact O-N 3.04Å; D601-Q604 PolarHBondContact O-N 3.43Å; D601-Q605 VanDerWaalsContact CG-NE2 3.28Å; D601-Q605 WeakPolarHBondContact O-CB 3.34Å; D601-Q605 WeakPolarHBondContact O-CG 3.31Å; D601-Q605 PolarHBondContact O-N 3.07Å; D601-Q605 VanDerWaalsContact O-N 3.07Å; D601-Q605 PolarHBondContact OD1-NE2 2.77Å; D601-K799 IonicContact OD1-NZ 3.84Å; D601-K799 PolarHBondContact OD1-NZ 2.82Å; D601-K799 IonicContact OD2-NZ 3.88Å; D601-K799 PolarHBondContact OD2-NZ 2.93Å
602	G	29.4	Very low	28.8	Very low	49 Å²	49	103.8 Å²	103.8	51%	0.505	58%	0.582	S	S	.	*	H	α-helix	trans	-66.1	-17	-179.8	0	0	0	0	0	116.5	S600	S600-G602 PolarHBondContact O-N 2.86Å
603	A	30.1	Very low	28.9	Very low	35 Å²	35	102.9 Å²	102.9	29%	0.289	57%	0.573	S	S	.	*	H	α-helix	trans	-80.4	-53	174	0	0	0	0	0	111.3	V599 S600 D601 Q605 K606 L607	V599-A603 HydrophobicContact CG1-CB 4.18Å; S600-A603 PolarHBondContact O-N 3.14Å; D601-A603 VanDerWaalsContact C-N 3.3Å; D601-A603 PolarHBondContact O-N 3.04Å; A603-Q605 VanDerWaalsContact C-N 3.32Å; A603-Q605 PolarHBondContact O-N 3.13Å; A603-K606 WeakPolarHBondContact O-CB 3.33Å; A603-K606 PolarHBondContact O-N 3.19Å; A603-L607 PolarHBondContact O-N 2.66Å
604	Q	31.2	Very low	29.1	Very low	93 Å²	93	101.3 Å²	101.3	44%	0.435	56%	0.558	S	S	.	*	H	α-helix	trans	-65.5	-34.2	179.9	-69.4	-179.3	-23.5	0	0	112.4	V599 D601 K606 L607 I608	V599-Q604 HydrophobicContact CG1-CG 4Å; D601-Q604 PolarHBondContact O-N 3.43Å; Q604-K606 PolarHBondContact O-N 3.04Å; Q604-L607 PolarHBondContact O-N 3.47Å; Q604-I608 PolarHBondContact O-N 3.3Å
605	Q	33.3	Very low	29.3	Very low	114 Å²	114	98 Å²	98	53%	0.533	54%	0.542	S	S	.	.	H	α-helix	trans	-59.9	-30.9	171.4	-73.3	170.1	27.4	0	0	112.8	D601 A603 G609	D601-Q605 VanDerWaalsContact CG-NE2 3.28Å; D601-Q605 WeakPolarHBondContact O-CB 3.34Å; D601-Q605 WeakPolarHBondContact O-CG 3.31Å; D601-Q605 PolarHBondContact O-N 3.07Å; D601-Q605 VanDerWaalsContact O-N 3.07Å; D601-Q605 PolarHBondContact OD1-NE2 2.77Å; A603-Q605 VanDerWaalsContact C-N 3.32Å; A603-Q605 PolarHBondContact O-N 3.13Å; Q605-G609 WeakPolarHBondContact O-CA 3.44Å; Q605-G609 PolarHBondContact O-N 3.05Å
606	K	30.2	Very low	29.4	Very low	151 Å²	151	92.7 Å²	92.7	66%	0.657	54%	0.535	S	S	*	.	H	α-helix	trans	-70.6	-42.4	-179.9	-140.1	172.2	-171.6	176.3	0	111.9	A603 Q604 N610	A603-K606 WeakPolarHBondContact O-CB 3.33Å; A603-K606 PolarHBondContact O-N 3.19Å; Q604-K606 PolarHBondContact O-N 3.04Å; K606-N610 WeakPolarHBondContact O-CB 3.44Å; K606-N610 PolarHBondContact O-N 3.03Å; K606-N610 PolarHBondContact O-ND2 3.07Å; K606-N610 PolarHBondContact O-OD1 2.99Å
607	L	30.1	Very low	29.7	Very low	26 Å²	26	91.1 Å²	91.1	14%	0.136	53%	0.527	C	S	.	.	H	α-helix	trans	-69.7	-38.7	-179.2	-73.5	161.5	0	0	0	112.8	A603 Q604 I944 D948	A603-L607 PolarHBondContact O-N 2.66Å; Q604-L607 PolarHBondContact O-N 3.47Å; L607-I944 HydrophobicContact CB-CG2 3.67Å; L607-I944 HydrophobicContact CD1-CG2 3.54Å; L607-I944 HydrophobicContact CD2-CG2 3.99Å; L607-I944 HydrophobicContact CG-CG2 3.9Å; L607-D948 HydrophobicContact CD1-CB 4.19Å; L607-D948 WeakPolarHBondContact CD1-OD2 3.22Å
608	I	33.2	Very low	29.7	Very low	85 Å²	85	91.7 Å²	91.7	44%	0.436	52%	0.523	S	S	.	.	H	α-helix	trans	-77.3	-37.1	175.5	-62.3	174	0	0	0	110.8	Q604 N610 C611 F612	Q604-I608 PolarHBondContact O-N 3.3Å; I608-N610 VanDerWaalsContact C-N 3.3Å; I608-N610 PolarHBondContact O-N 3.25Å; I608-C611 PolarHBondContact O-N 3.45Å; I608-F612 PolarHBondContact O-N 3.31Å
609	G	31.3	Very low	30	Very low	16 Å²	16	93.1 Å²	93.1	17%	0.165	52%	0.521	C	S	.	.	H	α-helix	trans	-60.3	-37.3	174.7	0	0	0	0	0	113.1	Q605 C611 F612 T613	Q605-G609 WeakPolarHBondContact O-CA 3.44Å; Q605-G609 PolarHBondContact O-N 3.05Å; G609-C611 PolarHBondContact O-N 2.99Å; G609-C611 VanDerWaalsContact O-N 3.08Å; G609-F612 CarbonylContact O-C 3.51Å; G609-F612 PolarHBondContact O-N 2.82Å; G609-T613 PolarHBondContact O-N 2.9Å; G609-T613 PolarHBondContact O-OG1 3.35Å
610	N	29.8	Very low	30.1	Very low	128 Å²	128	92.1 Å²	92.1	68%	0.684	52%	0.516	S	S	*	.	H	α-helix	trans	-60.7	-17.7	176.6	-75.2	-16.7	0	0	0	114.5	K606 I608	K606-N610 WeakPolarHBondContact O-CB 3.44Å; K606-N610 PolarHBondContact O-N 3.03Å; K606-N610 PolarHBondContact O-ND2 3.07Å; K606-N610 PolarHBondContact O-OD1 2.99Å; I608-N610 VanDerWaalsContact C-N 3.3Å; I608-N610 PolarHBondContact O-N 3.25Å
611	C	29.6	Very low	30.1	Very low	91 Å²	91	95.3 Å²	95.3	62%	0.615	53%	0.526	S	S	*	.	H	α-helix	trans	-97.2	-29.8	170.7	-68.1	0	0	0	0	113.3	I608 G609	I608-C611 PolarHBondContact O-N 3.45Å; G609-C611 PolarHBondContact O-N 2.99Å; G609-C611 VanDerWaalsContact O-N 3.08Å
612	F	27.4	Very low	30	Very low	124 Å²	124	99.3 Å²	99.3	54%	0.544	55%	0.548	S	S	.	.	H	α-helix	trans	-139.8	44.8	-170.8	-72.3	-77.9	0	0	0	115.5	I608 G609	I608-F612 PolarHBondContact O-N 3.31Å; G609-F612 CarbonylContact O-C 3.51Å; G609-F612 PolarHBondContact O-N 2.82Å
613	T	27.4	Very low	30.1	Very low	86 Å²	86	104 Å²	104	53%	0.528	56%	0.562	S	S	.	*			trans	-103.8	92.7	157	56.8	0	0	0	0	111.2	G609 S615	G609-T613 PolarHBondContact O-N 2.9Å; G609-T613 PolarHBondContact O-OG1 3.35Å; T613-S615 PolarHBondContact O-N 3.05Å
614	V	32.6	Very low	30.4	Very low	71 Å²	71	111.8 Å²	111.8	43%	0.43	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76	58.7	165.7	-168.9	0	0	0	0	109.2
615	S	27.9	Very low	31	Very low	75 Å²	75	114.2 Å²	114.2	52%	0.524	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.2	-8.1	-172.5	-40.4	0	0	0	0	112.2	S211 T613	S211-S615 PolarHBondContact OG-O 2.98Å; T613-S615 PolarHBondContact O-N 3.05Å
616	G	27.3	Very low	32.1	Very low	58 Å²	58	117.8 Å²	117.8	60%	0.598	62%	0.618	S	S	*	*	S	Bend	trans	-113.3	-11.7	-179.8	0	0	0	0	0	115.2	K618	G616-K618 PolarHBondContact O-N 3.06Å
617	L	29.7	Very low	34.2	Very low	138 Å²	138	111.9 Å²	111.9	72%	0.723	60%	0.596	S	S	*	*			trans	-68	100.1	174.2	-70.2	176.9	0	0	0	109.7	K619	L617-K619 PolarHBondContact O-N 3.2Å
618	K	27.3	Very low	36.6	Very low	164 Å²	164	113.5 Å²	113.5	71%	0.713	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-52.4	137.2	152.8	-74.6	-176	175.5	-177.9	0	107	G616 P620	G616-K618 PolarHBondContact O-N 3.06Å; K618-P620 VanDerWaalsContact O-N 3.13Å
619	K	30.2	Very low	39	Very low	194 Å²	194	110.1 Å²	110.1	84%	0.843	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-49	124.1	164.9	-77.6	-175.4	175.4	-179.6	0	107.4	L617 N621	L617-K619 PolarHBondContact O-N 3.2Å; K619-N621 PolarHBondContact O-N 3.29Å
620	P	30.2	Very low	41.5	Very low	67 Å²	67	112.9 Å²	112.9	44%	0.435	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-60.9	133.5	170.7	26.1	-32.2	0	0	0	107.5	K618 L625	K618-P620 VanDerWaalsContact O-N 3.13Å; P620-L625 HydrophobicContact CG-CD2 3.61Å; P620-L625 HydrophobicContact CG-CG 4.12Å
621	N	31	Very low	43.7	Very low	157 Å²	157	111 Å²	111	84%	0.84	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-57.9	151.4	168.5	-73.5	-4.7	0	0	0	108.8	K619 D623	K619-N621 PolarHBondContact O-N 3.29Å; N621-D623 PolarHBondContact O-N 3.29Å
622	N	30.2	Very low	46.2	Very low	163 Å²	163	107.6 Å²	107.6	87%	0.872	58%	0.581	S	S	*	*	S	Bend	trans	-49.7	89.2	-169.3	-63.9	-16.5	0	0	0	114.5
623	D	32.7	Very low	48.8	Very low	149 Å²	149	103.8 Å²	103.8	80%	0.797	58%	0.576	S	S	*	*	S	Bend	trans	-170.1	125.6	146	-99.5	-33.2	0	0	0	110	N621	N621-D623 PolarHBondContact O-N 3.29Å
624	K	36.7	Very low	51.7	Low	197 Å²	197	99.7 Å²	99.7	86%	0.857	55%	0.551	S	S	*	*			trans	44	77.7	-177.5	-68.1	-179.3	178.9	173.9	0	114.7	K626	K624-K626 PolarHBondContact O-N 3.18Å
625	L	42.5	Very low	54.6	Low	144 Å²	144	99.7 Å²	99.7	75%	0.754	55%	0.551	S	S	*	*			trans	-52.8	98.9	158.8	-93.5	158.6	0	0	0	110	P620 S627	P620-L625 HydrophobicContact CG-CD2 3.61Å; P620-L625 HydrophobicContact CG-CG 4.12Å; L625-S627 PolarHBondContact O-N 3.49Å
626	K	56.4	Low	57.7	Low	189 Å²	189	101.7 Å²	101.7	82%	0.822	55%	0.548	S	S	*	.			trans	-65.4	124.7	167.3	-74.8	-174.2	177.2	-178.7	0	108.2	K624	K624-K626 PolarHBondContact O-N 3.18Å
627	S	74	Confident	60.7	Low	28 Å²	28	99.5 Å²	99.5	20%	0.196	52%	0.523	C	S	.	.			trans	-63.5	147.9	177.8	174.8	0	0	0	0	111.9	L625 Y629 T630 E713	L625-S627 PolarHBondContact O-N 3.49Å; S627-Y629 VanDerWaalsContact C-N 3.26Å; S627-Y629 WeakPolarHBondContact OG-CD2 3.31Å; S627-Y629 PolarHBondContact OG-N 2.77Å; S627-T630 PolarHBondContact O-N 2.95Å; S627-E713 WeakPolarHBondContact CB-OE2 3.22Å; S627-E713 PolarHBondContact OG-OE1 3.24Å; S627-E713 VanDerWaalsContact OG-OE1 3.05Å; S627-E713 PolarHBondContact OG-OE2 3.44Å
628	V	81.3	Confident	63.5	Low	59 Å²	59	97.9 Å²	97.9	36%	0.358	52%	0.523	S	S	.	.	S	Bend	trans	-66.6	-31.5	171	-168.9	0	0	0	0	110.6	T630 A631 L691	V628-T630 VanDerWaalsContact C-N 3.31Å; V628-T630 PolarHBondContact O-N 3.36Å; V628-A631 WeakPolarHBondContact O-CB 3.34Å; V628-A631 PolarHBondContact O-N 3.35Å; V628-A631 VanDerWaalsContact O-N 3.08Å; V628-L691 HydrophobicContact CG1-CD1 3.7Å; V628-L691 HydrophobicContact CG1-CD2 4.49Å
629	Y	84.6	Confident	66.4	Low	15 Å²	15	92.9 Å²	92.9	6%	0.059	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-67.2	-30.1	-179.9	-58.4	-72	0	0	0	112.7	S627 A631 V632 V634 E687 L690 L691 I718	S627-Y629 VanDerWaalsContact C-N 3.26Å; S627-Y629 WeakPolarHBondContact OG-CD2 3.31Å; S627-Y629 PolarHBondContact OG-N 2.77Å; Y629-A631 PolarHBondContact O-N 3.3Å; Y629-A631 VanDerWaalsContact O-N 3.12Å; Y629-V632 WeakPolarHBondContact O-CG2 3Å; Y629-V632 PolarHBondContact O-N 3.2Å; Y629-V632 VanDerWaalsContact O-N 3.08Å; Y629-V634 WeakPolarHBondContact O-CB 3.3Å; Y629-V634 WeakPolarHBondContact O-CG2 3.3Å; Y629-V634 PolarHBondContact O-N 3.02Å; Y629-E687 WeakPolarHBondContact OH-CG 3.36Å; Y629-L690 HydrophobicContact CE1-CD2 3.89Å; Y629-L690 HydrophobicContact CE1-CG 4.29Å; Y629-L691 HydrophobicContact CD1-CD2 3.6Å; Y629-L691 HydrophobicContact CD1-CG 4.16Å; Y629-L691 HydrophobicContact CE1-CD2 4.17Å; Y629-L691 HydrophobicContact CE1-CG 4.24Å; Y629-L691 HydrophobicContact CG-CD2 4.36Å; Y629-I718 HydrophobicContact CD1-CD1 4.22Å; Y629-I718 HydrophobicContact CD2-CD1 3.55Å; Y629-I718 HydrophobicContact CD2-CG1 4.4Å; Y629-I718 HydrophobicContact CE1-CD1 4.45Å; Y629-I718 HydrophobicContact CE1-CG1 4.4Å; Y629-I718 HydrophobicContact CE2-CD1 3.81Å; Y629-I718 HydrophobicContact CE2-CG1 4.24Å; Y629-I718 HydrophobicContact CG-CD1 3.79Å
630	T	82	Confident	68.7	Low	73 Å²	73	89.3 Å²	89.3	45%	0.448	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-61.2	-20.4	172.6	-49.1	0	0	0	0	112.8	S627 V628 V632 G633	S627-T630 PolarHBondContact O-N 2.95Å; V628-T630 VanDerWaalsContact C-N 3.31Å; V628-T630 PolarHBondContact O-N 3.36Å; T630-V632 VanDerWaalsContact C-N 3.29Å; T630-V632 PolarHBondContact O-N 3.01Å; T630-G633 PolarHBondContact O-N 2.93Å
631	A	77.3	Confident	71.5	Confident	88 Å²	88	90.4 Å²	90.4	73%	0.727	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-70.6	-20.9	175.9	0	0	0	0	0	113.9	V628 Y629	V628-A631 WeakPolarHBondContact O-CB 3.34Å; V628-A631 PolarHBondContact O-N 3.35Å; V628-A631 VanDerWaalsContact O-N 3.08Å; Y629-A631 PolarHBondContact O-N 3.3Å; Y629-A631 VanDerWaalsContact O-N 3.12Å
632	V	81.6	Confident	74.5	Confident	21 Å²	21	86.9 Å²	86.9	13%	0.127	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-105.5	8.2	174.6	-58.8	0	0	0	0	113.3	Y629 T630 V634 L691 I694 H698	Y629-V632 WeakPolarHBondContact O-CG2 3Å; Y629-V632 PolarHBondContact O-N 3.2Å; Y629-V632 VanDerWaalsContact O-N 3.08Å; T630-V632 VanDerWaalsContact C-N 3.29Å; T630-V632 PolarHBondContact O-N 3.01Å; V632-V634 HydrophobicContact CG2-CG2 4.04Å; V632-L691 HydrophobicContact CG1-CB 4.37Å; V632-L691 HydrophobicContact CG1-CD2 4Å; V632-L691 HydrophobicContact CG2-CD2 3.69Å; V632-I694 HydrophobicContact CB-CG2 4.41Å; V632-I694 HydrophobicContact CG2-CB 4.21Å; V632-I694 HydrophobicContact CG2-CG2 3.75Å; V632-H698 PolarHBondContact O-NE2 3.32Å
633	G	83	Confident	77.5	Confident	43 Å²	43	79.4 Å²	79.4	44%	0.443	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	114.3	-17.8	175.9	0	0	0	0	0	115.3	T630 T635	T630-G633 PolarHBondContact O-N 2.93Å; G633-T635 PolarHBondContact O-N 3.04Å
634	V	88.2	Confident	80.3	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	42%	0.416	C	S	.	.			trans	-58.8	124.8	-168.5	-172.5	0	0	0	0	112.5	Y629 V632 Y636 I694 E711 E713	Y629-V634 WeakPolarHBondContact O-CB 3.3Å; Y629-V634 WeakPolarHBondContact O-CG2 3.3Å; Y629-V634 PolarHBondContact O-N 3.02Å; V632-V634 HydrophobicContact CG2-CG2 4.04Å; V634-Y636 PolarHBondContact O-N 3.06Å; V634-I694 HydrophobicContact CG2-CD1 3.89Å; V634-I694 HydrophobicContact CG2-CG2 4.41Å; V634-E711 HydrophobicContact CB-CG 4.36Å; V634-E711 HydrophobicContact CG2-CB 4.46Å; V634-E711 HydrophobicContact CG2-CG 3.86Å; V634-E713 HydrophobicContact CG1-CB 3.76Å
635	T	92.2	Very high	83	Confident	72 Å²	72	70.8 Å²	70.8	44%	0.442	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	113.5	-177.7	-66.4	0	0	0	0	110.2	G633 V637 E711 F712 E713	G633-T635 PolarHBondContact O-N 3.04Å; T635-V637 HydrophobicContact CG2-CG2 4.45Å; T635-E711 PolarHBondContact N-O 2.85Å; T635-E711 VanDerWaalsContact N-O 3.1Å; T635-F712 HydrophobicContact CG2-CD1 4.21Å; T635-F712 HydrophobicContact CG2-CE1 4.46Å; T635-F712 WeakPolarHBondContact O-CA 3.04Å; T635-E713 PolarHBondContact O-N 2.93Å
636	Y	92.7	Very high	85.5	Confident	116 Å²	116	66.6 Å²	66.6	46%	0.455	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.2	173.9	-171.2	-88.4	0	0	0	111.2	V634 E713	V634-Y636 PolarHBondContact O-N 3.06Å; Y636-E713 HydrophobicContact CD2-CB 4.19Å; Y636-E713 HydrophobicContact CD2-CG 3.66Å; Y636-E713 HydrophobicContact CE2-CG 3.99Å
637	V	91.7	Very high	87.5	Confident	13 Å²	13	57.6 Å²	57.6	8%	0.079	34%	0.335	C	S	.	.			trans	-118.3	110.5	-175.5	174.7	0	0	0	0	108.9	T635 D639 Y642 F712 E713	T635-V637 HydrophobicContact CG2-CG2 4.45Å; V637-D639 WeakPolarHBondContact CG1-O 3.35Å; V637-Y642 HydrophobicContact CB-CD1 4.49Å; V637-Y642 HydrophobicContact CG1-CD1 3.69Å; V637-Y642 HydrophobicContact CG1-CG 3.82Å; V637-Y642 HydrophobicContact CG2-CD1 3.88Å; V637-Y642 HydrophobicContact CG2-CE1 4.17Å; V637-F712 HydrophobicContact CG2-CB 4.11Å; V637-F712 HydrophobicContact CG2-CD1 3.74Å; V637-F712 HydrophobicContact CG2-CG 4.3Å; V637-E713 PolarHBondContact N-O 3.19Å
638	S	88.5	Confident	88.5	Confident	104 Å²	104	61.1 Å²	61.1	73%	0.727	35%	0.348	S	S	*	.			trans	-91.2	-22.4	-179.7	58	0	0	0	0	114.7	P640	S638-P640 WeakPolarHBondContact O-CD 3.25Å
639	D	88.5	Confident	89.2	Confident	59 Å²	59	62 Å²	62	32%	0.316	35%	0.35	S	S	.	.			trans	-81.8	113.8	174	169.7	19.8	0	0	0	109.1	V637 D641 Y642 K645	V637-D639 WeakPolarHBondContact CG1-O 3.35Å; D639-D641 PolarHBondContact O-N 3.33Å; D639-D641 VanDerWaalsContact O-N 3.16Å; D639-D641 PolarHBondContact OD1-N 3.3Å; D639-Y642 WeakPolarHBondContact O-CB 3.39Å; D639-Y642 PolarHBondContact O-N 3.21Å; D639-Y642 VanDerWaalsContact O-N 3.07Å; D639-Y642 PolarHBondContact OD2-N 3.34Å; D639-K645 IonicContact OD1-NZ 3.52Å; D639-K645 PolarHBondContact OD1-NZ 3.46Å; D639-K645 IonicContact OD2-NZ 3.48Å; D639-K645 PolarHBondContact OD2-NZ 3.1Å
640	P	78.3	Confident	89.8	Confident	118 Å²	118	63.1 Å²	63.1	77%	0.766	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.6	179.5	-23.9	34.9	0	0	0	113	S638	S638-P640 WeakPolarHBondContact O-CD 3.25Å
641	D	88.4	Confident	90.4	Very high	90 Å²	90	67.8 Å²	67.8	48%	0.481	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.8	-178.4	-68.5	-38.4	0	0	0	113.3	D639 L643 S644 K645	D639-D641 PolarHBondContact O-N 3.33Å; D639-D641 VanDerWaalsContact O-N 3.16Å; D639-D641 PolarHBondContact OD1-N 3.3Å; D641-L643 VanDerWaalsContact C-N 3.25Å; D641-L643 PolarHBondContact O-N 3.45Å; D641-S644 WeakPolarHBondContact CA-OG 3.49Å; D641-S644 PolarHBondContact O-N 3.36Å; D641-S644 VanDerWaalsContact O-N 3.09Å; D641-S644 PolarHBondContact O-OG 3.12Å; D641-K645 HydrophobicContact CB-CD 3.96Å; D641-K645 HydrophobicContact CB-CG 4.3Å; D641-K645 VanDerWaalsContact O-CB 3.29Å; D641-K645 WeakPolarHBondContact O-CB 3.07Å; D641-K645 WeakPolarHBondContact O-CD 3.28Å; D641-K645 WeakPolarHBondContact O-CG 3.45Å; D641-K645 PolarHBondContact O-N 3.49Å
642	Y	93.2	Very high	91.3	Very high	84 Å²	84	68.7 Å²	68.7	33%	0.329	36%	0.364	S	S	.	.	H	α-helix	trans	-56.4	-42.3	-177	175	-88.9	0	0	0	111.8	V637 D639 R646 F712	V637-Y642 HydrophobicContact CB-CD1 4.49Å; V637-Y642 HydrophobicContact CG1-CD1 3.69Å; V637-Y642 HydrophobicContact CG1-CG 3.82Å; V637-Y642 HydrophobicContact CG2-CD1 3.88Å; V637-Y642 HydrophobicContact CG2-CE1 4.17Å; D639-Y642 WeakPolarHBondContact O-CB 3.39Å; D639-Y642 PolarHBondContact O-N 3.21Å; D639-Y642 VanDerWaalsContact O-N 3.07Å; D639-Y642 PolarHBondContact OD2-N 3.34Å; Y642-R646 VanDerWaalsContact O-CB 3.24Å; Y642-R646 WeakPolarHBondContact O-CB 3.48Å; Y642-R646 PolarHBondContact O-N 2.77Å; Y642-R646 PolarHBondContact OH-NH1 3.24Å; Y642-F712 HydrophobicContact CE1-CD1 4.23Å; Y642-F712 AromaticContact CE1-CE1 3.87Å; Y642-F712 HydrophobicContact CE1-CE1 3.87Å; Y642-F712 HydrophobicContact CE1-CZ 4.41Å
643	L	93.2	Very high	91.8	Very high	5 Å²	5	70.8 Å²	70.8	3%	0.026	37%	0.374	C	S	.	.	H	α-helix	trans	-74.2	-31.5	178.9	-62.8	175.3	0	0	0	112.6	D641 R646 Y647 F712 T714 W719	D641-L643 VanDerWaalsContact C-N 3.25Å; D641-L643 PolarHBondContact O-N 3.45Å; L643-R646 PolarHBondContact O-N 3.08Å; L643-Y647 HydrophobicContact CD2-CE2 4.49Å; L643-Y647 PolarHBondContact O-N 3.39Å; L643-F712 HydrophobicContact CD2-CB 3.99Å; L643-F712 HydrophobicContact CD2-CD1 4.3Å; L643-F712 HydrophobicContact CD2-CD2 3.73Å; L643-F712 HydrophobicContact CD2-CE2 4.29Å; L643-F712 HydrophobicContact CD2-CG 3.74Å; L643-T714 HydrophobicContact CD1-CG2 3.41Å; L643-T714 VanDerWaalsContact CD1-CG2 3.41Å; L643-W719 HydrophobicContact CB-CH2 4.13Å; L643-W719 HydrophobicContact CB-CZ2 4.48Å; L643-W719 HydrophobicContact CB-CZ3 4.16Å; L643-W719 HydrophobicContact CD1-CD2 3.67Å; L643-W719 HydrophobicContact CD1-CE3 4.06Å; L643-W719 HydrophobicContact CD1-CG 3.96Å; L643-W719 HydrophobicContact CD1-CH2 4.42Å; L643-W719 HydrophobicContact CD1-CZ2 4.08Å; L643-W719 HydrophobicContact CD1-CZ3 4.4Å
644	S	92	Very high	92	Very high	47 Å²	47	70.1 Å²	70.1	33%	0.329	37%	0.367	S	S	.	.	H	α-helix	trans	-75.8	-30.8	175.6	74.7	0	0	0	0	112.3	D641 R667	D641-S644 WeakPolarHBondContact CA-OG 3.49Å; D641-S644 PolarHBondContact O-N 3.36Å; D641-S644 VanDerWaalsContact O-N 3.09Å; D641-S644 PolarHBondContact O-OG 3.12Å; S644-R667 VanDerWaalsContact O-CZ 3.26Å; S644-R667 PolarHBondContact O-NE 3.42Å; S644-R667 PolarHBondContact O-NH2 3.08Å
645	K	93.6	Very high	92	Very high	119 Å²	119	75.6 Å²	75.6	52%	0.517	40%	0.396	S	S	.	.	H	α-helix	trans	-69	-38.1	168.6	-68.6	160.2	-174.2	157.5	0	111.4	D639 D641 R667	D639-K645 IonicContact OD1-NZ 3.52Å; D639-K645 PolarHBondContact OD1-NZ 3.46Å; D639-K645 IonicContact OD2-NZ 3.48Å; D639-K645 PolarHBondContact OD2-NZ 3.1Å; D641-K645 HydrophobicContact CB-CD 3.96Å; D641-K645 HydrophobicContact CB-CG 4.3Å; D641-K645 VanDerWaalsContact O-CB 3.29Å; D641-K645 WeakPolarHBondContact O-CB 3.07Å; D641-K645 WeakPolarHBondContact O-CD 3.28Å; D641-K645 WeakPolarHBondContact O-CG 3.45Å; D641-K645 PolarHBondContact O-N 3.49Å; K645-R667 WeakPolarHBondContact O-CD 3.42Å
646	R	95.6	Very high	91.2	Very high	55 Å²	55	74.1 Å²	74.1	21%	0.208	40%	0.395	C	S	.	.	H	α-helix	trans	-82.7	-39.5	-177.9	-169.5	174.3	179.3	115.5	14.3	114.2	Y642 L643 R667 E710	Y642-R646 VanDerWaalsContact O-CB 3.24Å; Y642-R646 WeakPolarHBondContact O-CB 3.48Å; Y642-R646 PolarHBondContact O-N 2.77Å; Y642-R646 PolarHBondContact OH-NH1 3.24Å; L643-R646 PolarHBondContact O-N 3.08Å; R646-R667 PolarHBondContact O-N 3.24Å; R646-E710 IonicContact CZ-OE1 3.4Å; R646-E710 IonicContact CZ-OE2 3.67Å; R646-E710 IonicContact NE-OE1 3.8Å; R646-E710 IonicContact NE-OE2 2.74Å; R646-E710 PolarHBondContact NE-OE2 3.18Å; R646-E710 IonicContact NH1-OE1 2.66Å; R646-E710 IonicContact NH2-OE1 2.84Å; R646-E710 PolarHBondContact NH2-OE1 2.9Å; R646-E710 IonicContact NH2-OE2 3.33Å; R646-E710 PolarHBondContact NH2-OE2 3.43Å
647	Y	96.7	Very high	90.5	Very high	0 Å²	0	75 Å²	75	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.3	-179.4	-53.5	-84.1	0	0	0	112	L643 K665 R666 Y673 L675 E710 F712 V721	L643-Y647 HydrophobicContact CD2-CE2 4.49Å; L643-Y647 PolarHBondContact O-N 3.39Å; Y647-K665 CarbonylContact C-O 3.46Å; Y647-K665 WeakPolarHBondContact CA-O 3.49Å; Y647-R666 HydrophobicContact CD1-CB 3.84Å; Y647-R666 HydrophobicContact CD1-CG 4.05Å; Y647-R666 HydrophobicContact CE1-CB 3.83Å; Y647-R666 HydrophobicContact CE1-CG 3.7Å; Y647-Y673 HydrophobicContact CE1-CD2 4.3Å; Y647-L675 HydrophobicContact CD1-CD2 4.48Å; Y647-E710 PolarHBondContact OH-OE2 3.05Å; Y647-F712 AromaticContact CE2-CE2 3.93Å; Y647-F712 HydrophobicContact CE2-CE2 3.93Å; Y647-V721 HydrophobicContact CE1-CG1 3.99Å; Y647-V721 HydrophobicContact CE2-CG2 4.15Å
648	Q	96.8	Very high	90	Very high	102 Å²	102	77.1 Å²	77.1	48%	0.477	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.1	159.9	-179.8	-179.5	8.5	0	0	108.4	K665	Q648-K665 HydrophobicContact CB-CB 4.31Å; Q648-K665 PolarHBondContact N-O 3.43Å; Q648-K665 PolarHBondContact O-N 3.14Å
649	I	95.9	Very high	90.1	Very high	77 Å²	77	72.9 Å²	72.9	40%	0.395	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.5	175.1	-46.1	172.1	0	0	0	108.8	K662 W719	I649-K662 HydrophobicContact CG2-CB 4.12Å; I649-K662 HydrophobicContact CG2-CD 3.56Å; I649-K662 HydrophobicContact CG2-CG 4.47Å; I649-W719 HydrophobicContact CD1-CH2 3.76Å; I649-W719 HydrophobicContact CG1-CH2 4.24Å
650	G	95.8	Very high	90.3	Very high	40 Å²	40	71.9 Å²	71.9	41%	0.412	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-150.4	177.3	0	0	0	0	0	113.1	L663	G650-L663 WeakPolarHBondContact CA-O 3.06Å; G650-L663 PolarHBondContact N-O 3.05Å
651	R	95.7	Very high	91.1	Very high	170 Å²	170	68.2 Å²	68.2	64%	0.642	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	152.1	-177.6	70.7	-178.4	-174.2	-149	3.2	112.7	L653 K662 L663	R651-L653 HydrophobicContact CG-CD2 4.31Å; R651-K662 CarbonylContact O-C 3.46Å; R651-K662 WeakPolarHBondContact O-CA 3.44Å; R651-L663 HydrophobicContact CG-CB 4.35Å; R651-L663 PolarHBondContact O-N 2.54Å
652	K	95.2	Very high	91.5	Very high	107 Å²	107	66.6 Å²	66.6	47%	0.465	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	138.9	163.9	-169.3	177.6	-173.5	178	0	109.4	G654 D655 I660	K652-G654 WeakPolarHBondContact CE-O 3.34Å; K652-G654 WeakPolarHBondContact CG-O 3.39Å; K652-D655 VanDerWaalsContact CE-CB 3.45Å; K652-D655 VanDerWaalsContact CE-OD1 3.29Å; K652-D655 WeakPolarHBondContact CE-OD1 3.42Å; K652-D655 IonicContact NZ-OD1 3.31Å; K652-D655 PolarHBondContact NZ-OD1 2.9Å; K652-D655 IonicContact NZ-OD2 3.71Å; K652-D655 PolarHBondContact NZ-OD2 2.9Å; K652-I660 HydrophobicContact CD-CD1 3.86Å; K652-I660 HydrophobicContact CD-CG1 4.27Å; K652-I660 HydrophobicContact CG-CD1 4.01Å; K652-I660 HydrophobicContact CG-CG1 4.04Å
653	L	92.3	Very high	91.7	Very high	65 Å²	65	63.9 Å²	63.9	34%	0.34	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-36	174.5	-63.2	176	0	0	0	111	R651 V661 L663 A674 F724	R651-L653 HydrophobicContact CG-CD2 4.31Å; L653-V661 HydrophobicContact CB-CB 4.46Å; L653-V661 HydrophobicContact CB-CG1 4.16Å; L653-V661 HydrophobicContact CD1-CG1 4.37Å; L653-V661 PolarHBondContact N-O 3.2Å; L653-L663 HydrophobicContact CD1-CB 4.14Å; L653-L663 HydrophobicContact CD2-CB 4.27Å; L653-L663 HydrophobicContact CG-CB 4.21Å; L653-A674 HydrophobicContact CD1-CB 4.4Å; L653-F724 HydrophobicContact CD1-CD2 3.72Å; L653-F724 HydrophobicContact CD1-CE2 3.62Å; L653-F724 HydrophobicContact CD2-CE2 3.88Å; L653-F724 HydrophobicContact CD2-CZ 4.49Å; L653-F724 HydrophobicContact CG-CE2 4.42Å
654	G	87.6	Confident	91.9	Very high	29 Å²	29	63.7 Å²	63.7	30%	0.299	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	170.6	177.6	0	0	0	0	0	112.3	K652 V661	K652-G654 WeakPolarHBondContact CE-O 3.34Å; K652-G654 WeakPolarHBondContact CG-O 3.39Å; G654-V661 PolarHBondContact N-O 3.04Å; G654-V661 PolarHBondContact O-N 3.2Å
655	D	87	Confident	92.1	Very high	115 Å²	115	64.8 Å²	64.8	62%	0.615	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.7	173.3	-137.8	21.9	0	0	0	109.7	K652	K652-D655 VanDerWaalsContact CE-CB 3.45Å; K652-D655 VanDerWaalsContact CE-OD1 3.29Å; K652-D655 WeakPolarHBondContact CE-OD1 3.42Å; K652-D655 IonicContact NZ-OD1 3.31Å; K652-D655 PolarHBondContact NZ-OD1 2.9Å; K652-D655 IonicContact NZ-OD2 3.71Å; K652-D655 PolarHBondContact NZ-OD2 2.9Å
656	G	77.4	Confident	92.3	Very high	41 Å²	41	61.6 Å²	61.6	42%	0.423	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.2	174.3	0	0	0	0	0	111	F658 A659	G656-F658 PolarHBondContact O-N 3.32Å; G656-A659 WeakPolarHBondContact CA-O 3.35Å; G656-A659 PolarHBondContact N-O 2.9Å; G656-A659 PolarHBondContact O-N 3.2Å; G656-A659 VanDerWaalsContact O-N 3.12Å; G656-A659 VanDerWaalsContact O-O 3.09Å
657	N	76.1	Confident	92.3	Very high	135 Å²	135	65.1 Å²	65.1	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-24.6	-170.5	-66.8	-26.9	0	0	0	115.4
658	F	81.5	Confident	92.2	Very high	58 Å²	58	70.3 Å²	70.3	25%	0.254	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-15	-177.9	-46.9	-69.2	0	0	0	113.4	F201 G656 I678 E679 K682 K686	F201-F658 HydrophobicContact CE2-CE1 4.32Å; F201-F658 AromaticContact CE2-CZ 3.8Å; F201-F658 HydrophobicContact CE2-CZ 3.8Å; F201-F658 AromaticContact CZ-CE1 3.85Å; F201-F658 HydrophobicContact CZ-CE1 3.85Å; F201-F658 AromaticContact CZ-CZ 3.76Å; F201-F658 HydrophobicContact CZ-CZ 3.76Å; G656-F658 PolarHBondContact O-N 3.32Å; F658-I678 HydrophobicContact CB-CG2 4.3Å; F658-I678 VanDerWaalsContact O-CG2 3.29Å; F658-I678 WeakPolarHBondContact O-CG2 3.5Å; F658-E679 PolarHBondContact O-N 3.05Å; F658-K682 HydrophobicContact CD1-CB 4.12Å; F658-K682 WeakPolarHBondContact CD1-O 3.35Å; F658-K686 HydrophobicContact CE1-CD 4.13Å; F658-K686 HydrophobicContact CZ-CD 4.18Å
659	A	90.2	Very high	92.2	Very high	14 Å²	14	68.4 Å²	68.4	12%	0.116	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	140.2	-163.5	0	0	0	0	0	112.7	G656 K676 I677 I678	G656-A659 WeakPolarHBondContact CA-O 3.35Å; G656-A659 PolarHBondContact N-O 2.9Å; G656-A659 PolarHBondContact O-N 3.2Å; G656-A659 VanDerWaalsContact O-N 3.12Å; G656-A659 VanDerWaalsContact O-O 3.09Å; A659-K676 HydrophobicContact CB-CG 4.09Å; A659-I677 CarbonylContact C-O 3.42Å; A659-I677 WeakPolarHBondContact CA-O 3.39Å; A659-I678 HydrophobicContact CB-CB 4.29Å; A659-I678 HydrophobicContact CB-CG1 3.84Å; A659-I678 HydrophobicContact CB-CG2 4.23Å
660	I	93.5	Very high	92.1	Very high	39 Å²	39	69 Å²	69	20%	0.2	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.3	170.2	-175.6	165.4	0	0	0	109.3	K652 K662 I677	K652-I660 HydrophobicContact CD-CD1 3.86Å; K652-I660 HydrophobicContact CD-CG1 4.27Å; K652-I660 HydrophobicContact CG-CD1 4.01Å; K652-I660 HydrophobicContact CG-CG1 4.04Å; I660-K662 HydrophobicContact CG1-CG 4.19Å; I660-I677 HydrophobicContact CG2-CB 4.05Å; I660-I677 PolarHBondContact N-O 3.09Å; I660-I677 PolarHBondContact O-N 3.28Å
661	V	95.1	Very high	92.2	Very high	41 Å²	41	70.8 Å²	70.8	25%	0.248	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.1	175.5	-170.6	0	0	0	0	108.8	L653 G654 A674 L675 K676	L653-V661 HydrophobicContact CB-CB 4.46Å; L653-V661 HydrophobicContact CB-CG1 4.16Å; L653-V661 HydrophobicContact CD1-CG1 4.37Å; L653-V661 PolarHBondContact N-O 3.2Å; G654-V661 PolarHBondContact N-O 3.04Å; G654-V661 PolarHBondContact O-N 3.2Å; V661-A674 HydrophobicContact CG1-CB 4.17Å; V661-L675 WeakPolarHBondContact CA-O 3.33Å; V661-K676 HydrophobicContact CG2-CB 4.27Å; V661-K676 HydrophobicContact CG2-CG 4.34Å
662	K	96.9	Very high	92.3	Very high	55 Å²	55	67.7 Å²	67.7	24%	0.239	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	152.3	178.2	-58.9	179.9	-171.6	165.3	0	110.7	I649 R651 I660 G664 L675 I677	I649-K662 HydrophobicContact CG2-CB 4.12Å; I649-K662 HydrophobicContact CG2-CD 3.56Å; I649-K662 HydrophobicContact CG2-CG 4.47Å; R651-K662 CarbonylContact O-C 3.46Å; R651-K662 WeakPolarHBondContact O-CA 3.44Å; I660-K662 HydrophobicContact CG1-CG 4.19Å; K662-G664 PolarHBondContact O-N 2.66Å; K662-L675 PolarHBondContact N-O 3.05Å; K662-L675 PolarHBondContact O-N 3.31Å; K662-I677 HydrophobicContact CD-CD1 4.05Å
663	L	97.2	Very high	92.4	Very high	28 Å²	28	63.5 Å²	63.5	15%	0.147	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	130	165.6	-179.6	62.5	0	0	0	108.3	G650 R651 L653 Q672 F724	G650-L663 WeakPolarHBondContact CA-O 3.06Å; G650-L663 PolarHBondContact N-O 3.05Å; R651-L663 HydrophobicContact CG-CB 4.35Å; R651-L663 PolarHBondContact O-N 2.54Å; L653-L663 HydrophobicContact CD1-CB 4.14Å; L653-L663 HydrophobicContact CD2-CB 4.27Å; L653-L663 HydrophobicContact CG-CB 4.21Å; L663-Q672 HydrophobicContact CD1-CB 4.16Å; L663-Q672 HydrophobicContact CD1-CG 4.39Å; L663-F724 HydrophobicContact CD1-CD1 3.78Å; L663-F724 HydrophobicContact CD1-CD2 3.95Å; L663-F724 HydrophobicContact CD1-CE1 3.85Å; L663-F724 HydrophobicContact CD1-CE2 4.05Å; L663-F724 HydrophobicContact CD1-CG 3.83Å; L663-F724 HydrophobicContact CD1-CZ 4Å
664	G	97.3	Very high	92.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	145.9	168.1	0	0	0	0	0	110.3	K662 Q672 Y673	K662-G664 PolarHBondContact O-N 2.66Å; G664-Q672 WeakPolarHBondContact O-CA 3.4Å; G664-Y673 PolarHBondContact N-O 3.33Å; G664-Y673 PolarHBondContact O-N 3.07Å
665	K	97.6	Very high	93	Very high	70 Å²	70	59.8 Å²	59.8	30%	0.304	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.3	165.3	-161.3	-167.7	-168	-161.7	0	108.8	Y647 Q648 N670 D671	Y647-K665 CarbonylContact C-O 3.46Å; Y647-K665 WeakPolarHBondContact CA-O 3.49Å; Q648-K665 HydrophobicContact CB-CB 4.31Å; Q648-K665 PolarHBondContact N-O 3.43Å; Q648-K665 PolarHBondContact O-N 3.14Å; K665-N670 WeakPolarHBondContact CE-O 3.47Å; K665-N670 VanDerWaalsContact CE-OD1 3.24Å; K665-N670 WeakPolarHBondContact CE-OD1 3.39Å; K665-N670 VanDerWaalsContact CG-O 3.32Å; K665-N670 WeakPolarHBondContact CG-O 3.33Å; K665-N670 PolarHBondContact NZ-OD1 2.66Å; K665-D671 CarbonylContact C-O 3.58Å; K665-D671 VanDerWaalsContact CA-O 3.28Å; K665-D671 WeakPolarHBondContact CA-O 3.31Å
666	R	96.8	Very high	93.4	Very high	52 Å²	52	55.3 Å²	55.3	20%	0.196	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.1	180	-167.4	-170	150.4	160	-11.4	109.1	Y647 D668 N670 D671 Y673 E710	Y647-R666 HydrophobicContact CD1-CB 3.84Å; Y647-R666 HydrophobicContact CD1-CG 4.05Å; Y647-R666 HydrophobicContact CE1-CB 3.83Å; Y647-R666 HydrophobicContact CE1-CG 3.7Å; R666-D668 WeakPolarHBondContact CD-OD1 3.35Å; R666-D668 VanDerWaalsContact CG-OD1 3.24Å; R666-D668 WeakPolarHBondContact CG-OD1 3.35Å; R666-D668 IonicContact CZ-OD1 2.82Å; R666-D668 IonicContact CZ-OD2 3.64Å; R666-D668 IonicContact NE-OD1 2.71Å; R666-D668 PolarHBondContact NE-OD1 3.32Å; R666-D668 IonicContact NE-OD2 3.38Å; R666-D668 PolarHBondContact NE-OD2 3.32Å; R666-D668 IonicContact NH2-OD1 3.49Å; R666-D668 IonicContact NH2-OD2 3.52Å; R666-D668 PolarHBondContact NH2-OD2 2.81Å; R666-N670 WeakPolarHBondContact O-CA 3.24Å; R666-N670 PolarHBondContact O-N 3.49Å; R666-D671 PolarHBondContact N-O 3.33Å; R666-Y673 HydrophobicContact CB-CD2 4.01Å; R666-Y673 HydrophobicContact CB-CE2 3.57Å; R666-Y673 HydrophobicContact CG-CE2 4.33Å; R666-E710 IonicContact NH1-OE2 2.58Å
667	R	96.3	Very high	94.3	Very high	130 Å²	130	53.5 Å²	53.5	49%	0.491	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-27.1	-162.2	-67	-157.6	-166.5	-109.1	6.3	115.6	S644 K645 R646	S644-R667 VanDerWaalsContact O-CZ 3.26Å; S644-R667 PolarHBondContact O-NE 3.42Å; S644-R667 PolarHBondContact O-NH2 3.08Å; K645-R667 WeakPolarHBondContact O-CD 3.42Å; R646-R667 PolarHBondContact O-N 3.24Å
668	D	94.6	Very high	95.1	Very high	108 Å²	108	47.3 Å²	47.3	58%	0.578	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-45.2	179	56.5	-17.3	0	0	0	112.1	R666	R666-D668 WeakPolarHBondContact CD-OD1 3.35Å; R666-D668 VanDerWaalsContact CG-OD1 3.24Å; R666-D668 WeakPolarHBondContact CG-OD1 3.35Å; R666-D668 IonicContact CZ-OD1 2.82Å; R666-D668 IonicContact CZ-OD2 3.64Å; R666-D668 IonicContact NE-OD1 2.71Å; R666-D668 PolarHBondContact NE-OD1 3.32Å; R666-D668 IonicContact NE-OD2 3.38Å; R666-D668 PolarHBondContact NE-OD2 3.32Å; R666-D668 IonicContact NH2-OD1 3.49Å; R666-D668 IonicContact NH2-OD2 3.52Å; R666-D668 PolarHBondContact NH2-OD2 2.81Å
669	T	95.6	Very high	95.6	Very high	63 Å²	63	47.9 Å²	47.9	39%	0.387	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-17.3	-178.6	66.2	0	0	0	0	114.5	D671	T669-D671 WeakPolarHBondContact CB-OD2 3.4Å; T669-D671 PolarHBondContact O-N 3.11Å; T669-D671 WeakPolarHBondContact OG1-CB 3.38Å; T669-D671 VanDerWaalsContact OG1-CG 3.24Å; T669-D671 PolarHBondContact OG1-N 3.02Å; T669-D671 PolarHBondContact OG1-OD2 3.48Å
670	N	94.8	Very high	95.6	Very high	89 Å²	89	49.3 Å²	49.3	48%	0.476	24%	0.239	S	C	.	.			trans	65.6	8.5	-169.3	-73.3	-83.8	0	0	0	115.9	K665 R666	K665-N670 WeakPolarHBondContact CE-O 3.47Å; K665-N670 VanDerWaalsContact CE-OD1 3.24Å; K665-N670 WeakPolarHBondContact CE-OD1 3.39Å; K665-N670 VanDerWaalsContact CG-O 3.32Å; K665-N670 WeakPolarHBondContact CG-O 3.33Å; K665-N670 PolarHBondContact NZ-OD1 2.66Å; R666-N670 WeakPolarHBondContact O-CA 3.24Å; R666-N670 PolarHBondContact O-N 3.49Å
671	D	96.8	Very high	95.4	Very high	78 Å²	78	51.4 Å²	51.4	42%	0.417	26%	0.257	S	S	.	.			trans	-65.6	152.2	177.7	-66.1	-48.5	0	0	0	113.5	K665 R666 T669 Y673	K665-D671 CarbonylContact C-O 3.58Å; K665-D671 VanDerWaalsContact CA-O 3.28Å; K665-D671 WeakPolarHBondContact CA-O 3.31Å; R666-D671 PolarHBondContact N-O 3.33Å; T669-D671 WeakPolarHBondContact CB-OD2 3.4Å; T669-D671 PolarHBondContact O-N 3.11Å; T669-D671 WeakPolarHBondContact OG1-CB 3.38Å; T669-D671 VanDerWaalsContact OG1-CG 3.24Å; T669-D671 PolarHBondContact OG1-N 3.02Å; T669-D671 PolarHBondContact OG1-OD2 3.48Å; D671-Y673 HydrophobicContact CB-CD2 4.42Å; D671-Y673 HydrophobicContact CB-CE2 3.59Å
672	Q	97.5	Very high	95	Very high	105 Å²	105	53.8 Å²	53.8	49%	0.491	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.4	178.9	-68	-175	-10.5	0	0	112.6	L663 G664 F724	L663-Q672 HydrophobicContact CD1-CB 4.16Å; L663-Q672 HydrophobicContact CD1-CG 4.39Å; G664-Q672 WeakPolarHBondContact O-CA 3.4Å; Q672-F724 HydrophobicContact CB-CB 4.28Å; Q672-F724 HydrophobicContact CB-CD1 3.8Å; Q672-F724 HydrophobicContact CB-CG 4.39Å
673	Y	97.8	Very high	94.3	Very high	19 Å²	19	51.6 Å²	51.6	8%	0.075	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.6	-178.1	-63.3	-83.7	0	0	0	111.6	Y647 G664 R666 D671 Y709 V721 M722	Y647-Y673 HydrophobicContact CE1-CD2 4.3Å; G664-Y673 PolarHBondContact N-O 3.33Å; G664-Y673 PolarHBondContact O-N 3.07Å; R666-Y673 HydrophobicContact CB-CD2 4.01Å; R666-Y673 HydrophobicContact CB-CE2 3.57Å; R666-Y673 HydrophobicContact CG-CE2 4.33Å; D671-Y673 HydrophobicContact CB-CD2 4.42Å; D671-Y673 HydrophobicContact CB-CE2 3.59Å; Y673-Y709 HydrophobicContact CD1-CD2 4.09Å; Y673-Y709 HydrophobicContact CD1-CE2 4.5Å; Y673-Y709 HydrophobicContact CD1-CG 4.36Å; Y673-Y709 HydrophobicContact CE1-CD1 4.08Å; Y673-Y709 AromaticContact CE1-CD2 3.88Å; Y673-Y709 HydrophobicContact CE1-CD2 3.88Å; Y673-Y709 HydrophobicContact CE1-CE1 4.38Å; Y673-Y709 HydrophobicContact CE1-CE2 4.22Å; Y673-Y709 AromaticContact CE1-CG 3.81Å; Y673-Y709 HydrophobicContact CE1-CG 3.81Å; Y673-V721 HydrophobicContact CD1-CG1 3.68Å; Y673-V721 HydrophobicContact CD2-CG1 4.32Å; Y673-V721 HydrophobicContact CE1-CG1 4.35Å; Y673-V721 HydrophobicContact CG-CG1 3.66Å; Y673-M722 CarbonylContact C-O 3.49Å; Y673-M722 WeakPolarHBondContact CA-O 3.38Å; Y673-M722 WeakPolarHBondContact CB-O 3.37Å
674	A	97.3	Very high	93.5	Very high	14 Å²	14	55 Å²	55	12%	0.116	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	115.6	165.4	0	0	0	0	0	108.7	L653 V661 M722	L653-A674 HydrophobicContact CD1-CB 4.4Å; V661-A674 HydrophobicContact CG1-CB 4.17Å; A674-M722 HydrophobicContact CB-CB 4.33Å; A674-M722 PolarHBondContact N-O 2.9Å; A674-M722 PolarHBondContact O-N 2.91Å
675	L	96.5	Very high	92.7	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	99.6	178	-57.2	176.9	0	0	0	108.7	Y647 V661 K662 I677 W719 V721	Y647-L675 HydrophobicContact CD1-CD2 4.48Å; V661-L675 WeakPolarHBondContact CA-O 3.33Å; K662-L675 PolarHBondContact N-O 3.05Å; K662-L675 PolarHBondContact O-N 3.31Å; L675-I677 HydrophobicContact CB-CD1 4.48Å; L675-I677 HydrophobicContact CB-CG1 4.27Å; L675-I677 PolarHBondContact O-N 2.91Å; L675-W719 HydrophobicContact CD1-CE3 4.45Å; L675-W719 HydrophobicContact CD1-CZ3 3.96Å; L675-V721 HydrophobicContact CD2-CB 4.35Å; L675-V721 HydrophobicContact CD2-CG1 4.1Å; L675-V721 HydrophobicContact CD2-CG2 3.9Å
676	K	95.2	Very high	91.8	Very high	21 Å²	21	53.8 Å²	53.8	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	99	172	178.1	174.2	170	-176.7	0	107.6	A659 V661 I678 E693 L720 M722 D790	A659-K676 HydrophobicContact CB-CG 4.09Å; V661-K676 HydrophobicContact CG2-CB 4.27Å; V661-K676 HydrophobicContact CG2-CG 4.34Å; K676-I678 HydrophobicContact CG-CD1 4.37Å; K676-I678 HydrophobicContact CG-CG1 4.23Å; K676-E693 IonicContact NZ-OE1 3.85Å; K676-E693 PolarHBondContact NZ-OE1 2.68Å; K676-E693 IonicContact NZ-OE2 3.38Å; K676-E693 PolarHBondContact NZ-OE2 2.81Å; K676-L720 HydrophobicContact CB-CB 4.28Å; K676-L720 HydrophobicContact CD-CD1 4.37Å; K676-L720 PolarHBondContact N-O 3.26Å; K676-L720 PolarHBondContact O-N 3.23Å; K676-M722 HydrophobicContact CB-SD 4.07Å; K676-M722 HydrophobicContact CD-SD 4.19Å; K676-D790 IonicContact NZ-OD1 3.33Å; K676-D790 PolarHBondContact NZ-OD1 2.86Å
677	I	94.9	Very high	91.3	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123	-176.5	-56.4	171.4	0	0	0	108.3	A659 I660 K662 L675 E717 W719	A659-I677 CarbonylContact C-O 3.42Å; A659-I677 WeakPolarHBondContact CA-O 3.39Å; I660-I677 HydrophobicContact CG2-CB 4.05Å; I660-I677 PolarHBondContact N-O 3.09Å; I660-I677 PolarHBondContact O-N 3.28Å; K662-I677 HydrophobicContact CD-CD1 4.05Å; L675-I677 HydrophobicContact CB-CD1 4.48Å; L675-I677 HydrophobicContact CB-CG1 4.27Å; L675-I677 PolarHBondContact O-N 2.91Å; I677-E717 HydrophobicContact CG2-CB 4.27Å; I677-E717 HydrophobicContact CG2-CG 4.22Å; I677-W719 HydrophobicContact CD1-CD2 4.19Å; I677-W719 HydrophobicContact CD1-CE3 4.3Å; I677-W719 HydrophobicContact CD1-CH2 3.95Å; I677-W719 HydrophobicContact CD1-CZ2 3.79Å; I677-W719 HydrophobicContact CD1-CZ3 4.21Å; I677-W719 HydrophobicContact CG1-CD2 3.84Å; I677-W719 HydrophobicContact CG1-CE3 4.18Å; I677-W719 HydrophobicContact CG1-CG 4.22Å; I677-W719 HydrophobicContact CG1-CZ2 4.31Å
678	I	93.4	Very high	90.6	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.4	-168.2	-39.8	-178.3	0	0	0	109.2	F658 A659 K676 L683 L690 E717 I718 L720	F658-I678 HydrophobicContact CB-CG2 4.3Å; F658-I678 VanDerWaalsContact O-CG2 3.29Å; F658-I678 WeakPolarHBondContact O-CG2 3.5Å; A659-I678 HydrophobicContact CB-CB 4.29Å; A659-I678 HydrophobicContact CB-CG1 3.84Å; A659-I678 HydrophobicContact CB-CG2 4.23Å; K676-I678 HydrophobicContact CG-CD1 4.37Å; K676-I678 HydrophobicContact CG-CG1 4.23Å; I678-L683 HydrophobicContact CB-CD1 4.42Å; I678-L683 HydrophobicContact CG2-CD1 3.74Å; I678-L683 HydrophobicContact CG2-CD2 3.86Å; I678-L683 HydrophobicContact CG2-CG 3.8Å; I678-L690 HydrophobicContact CD1-CD1 3.53Å; I678-L690 HydrophobicContact CD1-CD2 3.91Å; I678-L690 HydrophobicContact CD1-CG 4.4Å; I678-E717 CarbonylContact O-C 3.55Å; I678-E717 VanDerWaalsContact O-CA 3.24Å; I678-E717 WeakPolarHBondContact O-CA 3.36Å; I678-I718 HydrophobicContact CB-CB 4.38Å; I678-I718 PolarHBondContact N-O 3.25Å; I678-I718 PolarHBondContact O-N 3.38Å; I678-L720 HydrophobicContact CD1-CD1 4.19Å; I678-L720 HydrophobicContact CD1-CG 4.36Å
679	E	91.8	Very high	90.1	Very high	70 Å²	70	48.7 Å²	48.7	33%	0.327	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125.3	-179.6	-69.9	165.6	-126	0	0	111.2	F658 S681 K682 L683	F658-E679 PolarHBondContact O-N 3.05Å; E679-S681 VanDerWaalsContact C-N 3.27Å; E679-S681 PolarHBondContact O-N 3.27Å; E679-K682 HydrophobicContact CB-CB 4.38Å; E679-K682 HydrophobicContact CB-CD 4.07Å; E679-K682 HydrophobicContact CB-CG 4.08Å; E679-K682 VanDerWaalsContact CD-CE 3.5Å; E679-K682 PolarHBondContact O-N 2.93Å; E679-K682 WeakPolarHBondContact OE1-CE 3.11Å; E679-K682 IonicContact OE1-NZ 3.25Å; E679-K682 PolarHBondContact OE1-NZ 2.99Å; E679-K682 WeakPolarHBondContact OE2-CE 3.44Å; E679-K682 IonicContact OE2-NZ 2.79Å; E679-K682 PolarHBondContact OE2-NZ 3.04Å; E679-L683 PolarHBondContact O-N 3.05Å
680	K	90.7	Very high	89.7	Confident	44 Å²	44	46 Å²	46	19%	0.191	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63.2	-31.7	-179.2	-66.8	-176.5	-164.3	178.8	0	113.6	K682 L683 E713 T714 A715 S716 E717 I718	K680-K682 PolarHBondContact O-N 2.83Å; K680-L683 PolarHBondContact O-N 2.7Å; K680-E713 WeakPolarHBondContact CE-OE1 3.3Å; K680-E713 IonicContact NZ-OE1 2.72Å; K680-E713 PolarHBondContact NZ-OE1 3.41Å; K680-T714 VanDerWaalsContact CE-O 3.31Å; K680-T714 WeakPolarHBondContact CE-O 3.43Å; K680-T714 PolarHBondContact NZ-O 2.89Å; K680-A715 PolarHBondContact NZ-O 3.28Å; K680-S716 WeakPolarHBondContact CB-O 3.46Å; K680-S716 WeakPolarHBondContact CG-O 3.44Å; K680-S716 PolarHBondContact N-O 3.47Å; K680-E717 WeakPolarHBondContact CE-O 3.5Å; K680-I718 HydrophobicContact CG-CG1 4.36Å
681	S	89.3	Confident	89.4	Confident	84 Å²	84	42.4 Å²	42.4	59%	0.587	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-53.1	-42	172.4	49.5	0	0	0	0	111.9	E679 T684	E679-S681 VanDerWaalsContact C-N 3.27Å; E679-S681 PolarHBondContact O-N 3.27Å; S681-T684 PolarHBondContact O-OG1 3.26Å
682	K	85.7	Confident	88.9	Confident	91 Å²	91	40.5 Å²	40.5	40%	0.396	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-80.1	-14.2	179.9	-59.4	-179.8	176.1	162	0	113.5	F658 E679 K680	F658-K682 HydrophobicContact CD1-CB 4.12Å; F658-K682 WeakPolarHBondContact CD1-O 3.35Å; E679-K682 HydrophobicContact CB-CB 4.38Å; E679-K682 HydrophobicContact CB-CD 4.07Å; E679-K682 HydrophobicContact CB-CG 4.08Å; E679-K682 VanDerWaalsContact CD-CE 3.5Å; E679-K682 PolarHBondContact O-N 2.93Å; E679-K682 WeakPolarHBondContact OE1-CE 3.11Å; E679-K682 IonicContact OE1-NZ 3.25Å; E679-K682 PolarHBondContact OE1-NZ 2.99Å; E679-K682 WeakPolarHBondContact OE2-CE 3.44Å; E679-K682 IonicContact OE2-NZ 2.79Å; E679-K682 PolarHBondContact OE2-NZ 3.04Å; K680-K682 PolarHBondContact O-N 2.83Å
683	L	83.5	Confident	88.6	Confident	9 Å²	9	35.9 Å²	35.9	5%	0.047	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-86.1	-7.1	178.7	-75	171.5	0	0	0	114.6	I678 E679 K680 G685 K686 E687 L690 I718	I678-L683 HydrophobicContact CB-CD1 4.42Å; I678-L683 HydrophobicContact CG2-CD1 3.74Å; I678-L683 HydrophobicContact CG2-CD2 3.86Å; I678-L683 HydrophobicContact CG2-CG 3.8Å; E679-L683 PolarHBondContact O-N 3.05Å; K680-L683 PolarHBondContact O-N 2.7Å; L683-G685 PolarHBondContact O-N 2.75Å; L683-G685 VanDerWaalsContact O-N 3.11Å; L683-K686 CarbonylContact O-C 3.53Å; L683-K686 WeakPolarHBondContact O-CA 3.33Å; L683-K686 WeakPolarHBondContact O-CB 3.31Å; L683-K686 PolarHBondContact O-N 3.36Å; L683-E687 VanDerWaalsContact O-CD 3.27Å; L683-E687 PolarHBondContact O-N 2.92Å; L683-L690 HydrophobicContact CD1-CD2 3.45Å; L683-L690 VanDerWaalsContact CD1-CD2 3.45Å; L683-L690 HydrophobicContact CD2-CB 4.28Å; L683-L690 HydrophobicContact CD2-CD2 4.02Å; L683-L690 HydrophobicContact CG-CD2 4.4Å; L683-I718 HydrophobicContact CD1-CG1 4.16Å
684	T	79.8	Confident	88.3	Confident	99 Å²	99	35 Å²	35	61%	0.607	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	114.4	-177.4	-49.6	0	0	0	0	112	S681 E687	S681-T684 PolarHBondContact O-OG1 3.26Å; T684-E687 VanDerWaalsContact CA-OE1 3.31Å; T684-E687 WeakPolarHBondContact CA-OE1 3.43Å
685	G	79.9	Confident	87.9	Confident	15 Å²	15	37.7 Å²	37.7	16%	0.155	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	22.3	-176.8	0	0	0	0	0	114.6	S204 L683 E687	S204-G685 VanDerWaalsContact CB-O 3.3Å; S204-G685 WeakPolarHBondContact CB-O 3.19Å; S204-G685 PolarHBondContact OG-O 2.92Å; L683-G685 PolarHBondContact O-N 2.75Å; L683-G685 VanDerWaalsContact O-N 3.11Å; G685-E687 VanDerWaalsContact CA-OE2 3.3Å; G685-E687 WeakPolarHBondContact CA-OE2 3.35Å; G685-E687 VanDerWaalsContact N-CD 3.33Å; G685-E687 PolarHBondContact N-OE1 2.91Å; G685-E687 PolarHBondContact N-OE2 3.42Å
686	K	80.3	Confident	87.7	Confident	30 Å²	30	37.8 Å²	37.8	13%	0.13	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.2	4.4	175.9	-60.3	-165.2	179.4	-165	0	113.3	F658 L683 A688 M689 L690	F658-K686 HydrophobicContact CE1-CD 4.13Å; F658-K686 HydrophobicContact CZ-CD 4.18Å; L683-K686 CarbonylContact O-C 3.53Å; L683-K686 WeakPolarHBondContact O-CA 3.33Å; L683-K686 WeakPolarHBondContact O-CB 3.31Å; L683-K686 PolarHBondContact O-N 3.36Å; K686-A688 PolarHBondContact O-N 3.31Å; K686-M689 HydrophobicContact CB-SD 4.31Å; K686-M689 HydrophobicContact CD-SD 4.38Å; K686-M689 HydrophobicContact CG-SD 4.37Å; K686-M689 WeakPolarHBondContact O-CB 3.47Å; K686-M689 PolarHBondContact O-N 2.99Å; K686-L690 PolarHBondContact O-N 3.1Å
687	E	85.7	Confident	87.5	Confident	44 Å²	44	37 Å²	37	21%	0.206	21%	0.205	C	C	.	.	H	α-helix	trans	-55.6	-38.8	-178.4	-53	83.5	172.3	0	0	111	Y629 L683 T684 G685 M689 L690 L691	Y629-E687 WeakPolarHBondContact OH-CG 3.36Å; L683-E687 VanDerWaalsContact O-CD 3.27Å; L683-E687 PolarHBondContact O-N 2.92Å; T684-E687 VanDerWaalsContact CA-OE1 3.31Å; T684-E687 WeakPolarHBondContact CA-OE1 3.43Å; G685-E687 VanDerWaalsContact CA-OE2 3.3Å; G685-E687 WeakPolarHBondContact CA-OE2 3.35Å; G685-E687 VanDerWaalsContact N-CD 3.33Å; G685-E687 PolarHBondContact N-OE1 2.91Å; G685-E687 PolarHBondContact N-OE2 3.42Å; E687-M689 VanDerWaalsContact C-N 3.28Å; E687-M689 PolarHBondContact O-N 3.48Å; E687-L690 PolarHBondContact O-N 3.03Å; E687-L691 VanDerWaalsContact O-CG 3.24Å; E687-L691 WeakPolarHBondContact O-CG 3.24Å; E687-L691 PolarHBondContact O-N 3.26Å
688	A	82.1	Confident	87.3	Confident	65 Å²	65	39.8 Å²	39.8	54%	0.537	22%	0.217	S	C	.	.	H	α-helix	trans	-60.5	-31.3	175.3	0	0	0	0	0	113.9	K686 N692	K686-A688 PolarHBondContact O-N 3.31Å; A688-N692 VanDerWaalsContact O-CB 3.32Å; A688-N692 WeakPolarHBondContact O-CB 3.48Å; A688-N692 PolarHBondContact O-N 3.38Å
689	M	82.5	Confident	87	Confident	74 Å²	74	45.1 Å²	45.1	37%	0.365	24%	0.242	S	C	.	.	H	α-helix	trans	-69.8	-44.9	175.3	-60.7	177.4	62.3	0	0	110.6	K686 E687 N692 E693 L793	K686-M689 HydrophobicContact CB-SD 4.31Å; K686-M689 HydrophobicContact CD-SD 4.38Å; K686-M689 HydrophobicContact CG-SD 4.37Å; K686-M689 WeakPolarHBondContact O-CB 3.47Å; K686-M689 PolarHBondContact O-N 2.99Å; E687-M689 VanDerWaalsContact C-N 3.28Å; E687-M689 PolarHBondContact O-N 3.48Å; M689-N692 PolarHBondContact O-N 2.92Å; M689-E693 PolarHBondContact O-N 3.27Å; M689-L793 HydrophobicContact CE-CD2 3.63Å
690	L	87.7	Confident	87	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-68.1	-40.7	178.8	178.9	57.9	0	0	0	112.4	Y629 I678 L683 K686 E687 N692 E693 I694 I718 L720	Y629-L690 HydrophobicContact CE1-CD2 3.89Å; Y629-L690 HydrophobicContact CE1-CG 4.29Å; I678-L690 HydrophobicContact CD1-CD1 3.53Å; I678-L690 HydrophobicContact CD1-CD2 3.91Å; I678-L690 HydrophobicContact CD1-CG 4.4Å; L683-L690 HydrophobicContact CD1-CD2 3.45Å; L683-L690 VanDerWaalsContact CD1-CD2 3.45Å; L683-L690 HydrophobicContact CD2-CB 4.28Å; L683-L690 HydrophobicContact CD2-CD2 4.02Å; L683-L690 HydrophobicContact CG-CD2 4.4Å; K686-L690 PolarHBondContact O-N 3.1Å; E687-L690 PolarHBondContact O-N 3.03Å; L690-N692 PolarHBondContact O-N 3.38Å; L690-E693 PolarHBondContact O-N 3.01Å; L690-I694 HydrophobicContact CD1-CD1 3.87Å; L690-I694 HydrophobicContact CD1-CG1 4.03Å; L690-I694 HydrophobicContact CG-CD1 3.84Å; L690-I694 HydrophobicContact CG-CG1 4.44Å; L690-I694 WeakPolarHBondContact O-CB 3.43Å; L690-I694 VanDerWaalsContact O-CG1 3.29Å; L690-I694 WeakPolarHBondContact O-CG1 3.32Å; L690-I694 PolarHBondContact O-N 2.77Å; L690-I718 HydrophobicContact CD2-CB 4.11Å; L690-I718 HydrophobicContact CD2-CG1 3.97Å; L690-I718 HydrophobicContact CD2-CG2 4.11Å; L690-L720 HydrophobicContact CD1-CD1 4.2Å
691	L	88.7	Confident	87	Confident	14 Å²	14	46.8 Å²	46.8	7%	0.073	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-39.1	173.9	-69	165.5	0	0	0	111.4	V628 Y629 V632 E687 H695	V628-L691 HydrophobicContact CG1-CD1 3.7Å; V628-L691 HydrophobicContact CG1-CD2 4.49Å; Y629-L691 HydrophobicContact CD1-CD2 3.6Å; Y629-L691 HydrophobicContact CD1-CG 4.16Å; Y629-L691 HydrophobicContact CE1-CD2 4.17Å; Y629-L691 HydrophobicContact CE1-CG 4.24Å; Y629-L691 HydrophobicContact CG-CD2 4.36Å; V632-L691 HydrophobicContact CG1-CB 4.37Å; V632-L691 HydrophobicContact CG1-CD2 4Å; V632-L691 HydrophobicContact CG2-CD2 3.69Å; E687-L691 VanDerWaalsContact O-CG 3.24Å; E687-L691 WeakPolarHBondContact O-CG 3.24Å; E687-L691 PolarHBondContact O-N 3.26Å; L691-H695 VanDerWaalsContact O-CB 3.24Å; L691-H695 WeakPolarHBondContact O-CB 3.49Å; L691-H695 PolarHBondContact O-N 2.85Å
692	N	87.1	Confident	87.4	Confident	38 Å²	38	44.3 Å²	44.3	20%	0.203	22%	0.224	C	C	.	.	H	α-helix	trans	-72.5	-39.9	175.4	168.6	92.9	0	0	0	112.6	A688 M689 L690 H695 I696 A794	A688-N692 VanDerWaalsContact O-CB 3.32Å; A688-N692 WeakPolarHBondContact O-CB 3.48Å; A688-N692 PolarHBondContact O-N 3.38Å; M689-N692 PolarHBondContact O-N 2.92Å; L690-N692 PolarHBondContact O-N 3.38Å; N692-H695 PolarHBondContact O-N 3.28Å; N692-I696 WeakPolarHBondContact O-CB 3.43Å; N692-I696 WeakPolarHBondContact O-CG1 3.29Å; N692-I696 PolarHBondContact O-N 3.3Å; N692-A794 PolarHBondContact ND2-O 2.93Å
693	E	90.7	Very high	87.9	Confident	9 Å²	9	43.6 Å²	43.6	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-57.5	-51.2	172.9	-177.3	-177.4	171.5	0	0	110.8	K676 M689 L690 H695 I696 L697 F791	K676-E693 IonicContact NZ-OE1 3.85Å; K676-E693 PolarHBondContact NZ-OE1 2.68Å; K676-E693 IonicContact NZ-OE2 3.38Å; K676-E693 PolarHBondContact NZ-OE2 2.81Å; M689-E693 PolarHBondContact O-N 3.27Å; L690-E693 PolarHBondContact O-N 3.01Å; E693-H695 PolarHBondContact O-N 3.24Å; E693-I696 PolarHBondContact O-N 3.36Å; E693-L697 HydrophobicContact CG-CD1 3.89Å; E693-L697 HydrophobicContact CG-CG 4.45Å; E693-L697 WeakPolarHBondContact O-CB 3.36Å; E693-L697 WeakPolarHBondContact O-CG 3.42Å; E693-L697 PolarHBondContact O-N 3.33Å; E693-F791 HydrophobicContact CG-CB 4.04Å
694	I	91.3	Very high	88.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-46.6	178.1	-66.9	166.8	0	0	0	110.7	V632 V634 L690 I696 L697 H698 E711 L720	V632-I694 HydrophobicContact CB-CG2 4.41Å; V632-I694 HydrophobicContact CG2-CB 4.21Å; V632-I694 HydrophobicContact CG2-CG2 3.75Å; V634-I694 HydrophobicContact CG2-CD1 3.89Å; V634-I694 HydrophobicContact CG2-CG2 4.41Å; L690-I694 HydrophobicContact CD1-CD1 3.87Å; L690-I694 HydrophobicContact CD1-CG1 4.03Å; L690-I694 HydrophobicContact CG-CD1 3.84Å; L690-I694 HydrophobicContact CG-CG1 4.44Å; L690-I694 WeakPolarHBondContact O-CB 3.43Å; L690-I694 VanDerWaalsContact O-CG1 3.29Å; L690-I694 WeakPolarHBondContact O-CG1 3.32Å; L690-I694 PolarHBondContact O-N 2.77Å; I694-I696 PolarHBondContact O-N 3.42Å; I694-L697 PolarHBondContact O-N 3.4Å; I694-H698 WeakPolarHBondContact CG2-NE2 3.29Å; I694-H698 PolarHBondContact O-CD2 2.79Å; I694-H698 PolarHBondContact O-N 3.07Å; I694-E711 HydrophobicContact CG2-CG 4.39Å; I694-L720 HydrophobicContact CD1-CD2 3.9Å; I694-L720 HydrophobicContact CG1-CD1 4.36Å; I694-L720 HydrophobicContact CG1-CD2 3.78Å
695	H	89.7	Confident	89.4	Confident	71 Å²	71	39 Å²	39	33%	0.329	20%	0.201	S	C	.	.	H	α-helix	trans	-59.6	-42.7	177.8	177.9	74	0	0	0	112.7	L691 N692 E693 H699	L691-H695 VanDerWaalsContact O-CB 3.24Å; L691-H695 WeakPolarHBondContact O-CB 3.49Å; L691-H695 PolarHBondContact O-N 2.85Å; N692-H695 PolarHBondContact O-N 3.28Å; E693-H695 PolarHBondContact O-N 3.24Å; H695-H699 AromaticContact CE1-CE1 3.53Å; H695-H699 AromaticContact CE1-ND1 3.84Å; H695-H699 AromaticContact ND1-CE1 3.73Å; H695-H699 AromaticContact ND1-ND1 3.96Å; H695-H699 PolarHBondContact O-ND1 3.1Å
696	I	90.9	Very high	90.2	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-49.7	176.1	-72.5	169.9	0	0	0	110.3	N692 E693 I694 H698 H699 C700 I764 F791 A794	N692-I696 WeakPolarHBondContact O-CB 3.43Å; N692-I696 WeakPolarHBondContact O-CG1 3.29Å; N692-I696 PolarHBondContact O-N 3.3Å; E693-I696 PolarHBondContact O-N 3.36Å; I694-I696 PolarHBondContact O-N 3.42Å; I696-H698 VanDerWaalsContact C-N 3.33Å; I696-H698 PolarHBondContact O-N 2.92Å; I696-H699 PolarHBondContact O-N 2.82Å; I696-C700 PolarHBondContact O-N 2.76Å; I696-C700 PolarHBondContact O-SG 2.69Å; I696-C700 VanDerWaalsContact O-SG 3.38Å; I696-I764 HydrophobicContact CD1-CG2 4.24Å; I696-I764 HydrophobicContact CG2-CD1 4.29Å; I696-I764 HydrophobicContact CG2-CG2 4.27Å; I696-F791 HydrophobicContact CG2-CD1 3.69Å; I696-F791 HydrophobicContact CG2-CE1 4.27Å; I696-F791 HydrophobicContact CG2-CG 4.46Å; I696-A794 HydrophobicContact CD1-CB 3.85Å
697	L	92.2	Very high	90.9	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-36.3	-178.2	-74.6	174.2	0	0	0	113.4	E693 I694 H699 C700 L708 M722 F791	E693-L697 HydrophobicContact CG-CD1 3.89Å; E693-L697 HydrophobicContact CG-CG 4.45Å; E693-L697 WeakPolarHBondContact O-CB 3.36Å; E693-L697 WeakPolarHBondContact O-CG 3.42Å; E693-L697 PolarHBondContact O-N 3.33Å; I694-L697 PolarHBondContact O-N 3.4Å; L697-H699 VanDerWaalsContact C-N 3.27Å; L697-H699 PolarHBondContact O-N 3.15Å; L697-C700 PolarHBondContact O-N 3.28Å; L697-L708 HydrophobicContact CB-CB 3.91Å; L697-L708 HydrophobicContact CB-CD2 3.88Å; L697-M722 HydrophobicContact CD1-CE 4Å; L697-F791 HydrophobicContact CD2-CB 4.24Å; L697-F791 HydrophobicContact CD2-CD2 3.65Å; L697-F791 HydrophobicContact CD2-CE2 4.24Å; L697-F791 HydrophobicContact CD2-CG 3.97Å; L697-F791 HydrophobicContact CG-CB 4.29Å
698	H	90.1	Very high	91.4	Very high	62 Å²	62	41.7 Å²	41.7	29%	0.287	21%	0.205	S	C	.	.	H	α-helix	trans	-60.6	-34	174	-81.1	-56.3	0	0	0	113.9	V632 I694 I696 E711	V632-H698 PolarHBondContact O-NE2 3.32Å; I694-H698 WeakPolarHBondContact CG2-NE2 3.29Å; I694-H698 PolarHBondContact O-CD2 2.79Å; I694-H698 PolarHBondContact O-N 3.07Å; I696-H698 VanDerWaalsContact C-N 3.33Å; I696-H698 PolarHBondContact O-N 2.92Å; H698-E711 IonicContact CE1-OE1 2.69Å; H698-E711 PolarHBondContact CE1-OE1 2.93Å; H698-E711 IonicContact CE1-OE2 2.61Å; H698-E711 PolarHBondContact CE1-OE2 3.28Å; H698-E711 IonicContact ND1-OE2 2.95Å; H698-E711 IonicContact NE2-OE1 2.66Å; H698-E711 IonicContact NE2-OE2 3.17Å
699	H	87.6	Confident	92	Very high	116 Å²	116	43.2 Å²	43.2	54%	0.537	20%	0.198	S	C	.	.	H	α-helix	trans	-92.1	-16.3	-177.8	-65.5	89.5	0	0	0	112.8	H695 I696 L697 R701 Y758	H695-H699 AromaticContact CE1-CE1 3.53Å; H695-H699 AromaticContact CE1-ND1 3.84Å; H695-H699 AromaticContact ND1-CE1 3.73Å; H695-H699 AromaticContact ND1-ND1 3.96Å; H695-H699 PolarHBondContact O-ND1 3.1Å; I696-H699 PolarHBondContact O-N 2.82Å; L697-H699 VanDerWaalsContact C-N 3.27Å; L697-H699 PolarHBondContact O-N 3.15Å; H699-R701 PolarHBondContact O-N 2.79Å; H699-Y758 PolarHBondContact O-OH 3.16Å
700	C	91.3	Very high	92.5	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.054	19%	0.189	C	C	.	.			trans	-74.7	114.6	174.8	-76.7	0	0	0	0	112.4	I696 L697 I705	I696-C700 PolarHBondContact O-N 2.76Å; I696-C700 PolarHBondContact O-SG 2.69Å; I696-C700 VanDerWaalsContact O-SG 3.38Å; L697-C700 PolarHBondContact O-N 3.28Å; C700-I705 HydrophobicContact CB-CG2 4.18Å
701	R	91.7	Very high	92.9	Very high	142 Å²	142	42.5 Å²	42.5	54%	0.536	19%	0.193	S	C	.	.			trans	-135.8	96.1	170.9	-64.1	-174.6	-174.7	-175.4	1.3	109.1	H699 Y758	H699-R701 PolarHBondContact O-N 2.79Å; R701-Y758 PolarHBondContact N-OH 3.27Å; R701-Y758 WeakPolarHBondContact O-CE2 3.29Å; R701-Y758 PolarHBondContact O-OH 3.46Å
702	H	96.1	Very high	93.2	Very high	31 Å²	31	42 Å²	42	14%	0.144	19%	0.191	C	C	.	.			trans	-150.8	139.4	-176.9	-168.6	-103.7	0	0	0	109.4	N704 I705 S754 A755 Y758	H702-N704 PolarHBondContact CE1-OD1 2.99Å; H702-N704 PolarHBondContact ND1-N 2.95Å; H702-N704 PolarHBondContact O-N 2.85Å; H702-I705 HydrophobicContact CB-CB 4.17Å; H702-I705 HydrophobicContact CB-CD1 3.82Å; H702-I705 HydrophobicContact CB-CG1 3.94Å; H702-I705 PolarHBondContact O-N 3.48Å; H702-I705 VanDerWaalsContact O-N 3.17Å; H702-S754 VanDerWaalsContact CE1-C 3.46Å; H702-S754 PolarHBondContact CE1-OG 3.33Å; H702-S754 VanDerWaalsContact CE1-OG 3.24Å; H702-S754 PolarHBondContact NE2-OG 3.16Å; H702-A755 PolarHBondContact CE1-N 3.07Å; H702-Y758 HydrophobicContact CB-CD1 4.08Å; H702-Y758 HydrophobicContact CB-CD2 4.02Å; H702-Y758 HydrophobicContact CB-CE1 4.31Å; H702-Y758 HydrophobicContact CB-CE2 4.21Å; H702-Y758 HydrophobicContact CB-CG 3.95Å; H702-Y758 AromaticContact CD2-CD2 3.53Å; H702-Y758 AromaticContact CD2-CG 3.71Å; H702-Y758 AromaticContact CG-CG 3.88Å
703	P	96.3	Very high	93.5	Very high	77 Å²	77	40.7 Å²	40.7	50%	0.5	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-36.3	179.7	20.6	-33.5	0	0	0	112.9	I705 K787	P703-I705 VanDerWaalsContact C-N 3.35Å; P703-I705 PolarHBondContact O-N 3.31Å; P703-K787 WeakPolarHBondContact O-CE 3.43Å; P703-K787 VanDerWaalsContact O-CG 3.31Å; P703-K787 WeakPolarHBondContact O-CG 3.48Å; P703-K787 PolarHBondContact O-NZ 3.45Å
704	N	97.8	Very high	93.7	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.037	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	22.9	-178.6	-52.1	102.2	0	0	0	114.3	H702 D751 A755 V786 K787 L788	H702-N704 PolarHBondContact CE1-OD1 2.99Å; H702-N704 PolarHBondContact ND1-N 2.95Å; H702-N704 PolarHBondContact O-N 2.85Å; N704-D751 HydrophobicContact CB-CB 4.48Å; N704-D751 WeakPolarHBondContact CB-O 3.39Å; N704-D751 WeakPolarHBondContact ND2-CB 3.45Å; N704-D751 PolarHBondContact ND2-OD1 3Å; N704-D751 PolarHBondContact ND2-OD2 2.88Å; N704-A755 HydrophobicContact CB-CB 4.01Å; N704-V786 WeakPolarHBondContact CA-O 3.33Å; N704-V786 WeakPolarHBondContact CB-O 3.33Å; N704-V786 PolarHBondContact ND2-O 2.72Å; N704-K787 WeakPolarHBondContact O-CA 3.39Å; N704-L788 PolarHBondContact O-N 2.99Å
705	I	97.7	Very high	93.7	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-124.2	143.6	170.4	-63.3	177.3	0	0	0	108.5	C700 H702 P703 R707 A755 Y758 L759 K787 F791	C700-I705 HydrophobicContact CB-CG2 4.18Å; H702-I705 HydrophobicContact CB-CB 4.17Å; H702-I705 HydrophobicContact CB-CD1 3.82Å; H702-I705 HydrophobicContact CB-CG1 3.94Å; H702-I705 PolarHBondContact O-N 3.48Å; H702-I705 VanDerWaalsContact O-N 3.17Å; P703-I705 VanDerWaalsContact C-N 3.35Å; P703-I705 PolarHBondContact O-N 3.31Å; I705-R707 PolarHBondContact O-N 2.98Å; I705-A755 HydrophobicContact CG1-CB 4.02Å; I705-Y758 HydrophobicContact CD1-CD1 3.85Å; I705-Y758 HydrophobicContact CD1-CE1 4.31Å; I705-L759 HydrophobicContact CD1-CD1 4.2Å; I705-L759 HydrophobicContact CD1-CD2 3.95Å; I705-L759 HydrophobicContact CD1-CG 3.96Å; I705-K787 PolarHBondContact O-NZ 3.21Å; I705-F791 HydrophobicContact CD1-CZ 4.24Å; I705-F791 HydrophobicContact CG1-CZ 4.37Å; I705-F791 HydrophobicContact CG2-CE2 3.71Å; I705-F791 HydrophobicContact CG2-CZ 3.65Å
706	V	96.6	Very high	93.7	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.03	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-68.5	124.1	172.6	171.1	0	0	0	0	110	M722 E723 I725 L775 K787 L788 A789	V706-M722 HydrophobicContact CG1-CB 4.16Å; V706-M722 HydrophobicContact CG1-CE 3.89Å; V706-E723 HydrophobicContact CG1-CB 4.05Å; V706-I725 HydrophobicContact CG2-CG1 4.34Å; V706-L775 HydrophobicContact CG2-CD1 3.84Å; V706-K787 HydrophobicContact CG2-CB 3.94Å; V706-L788 PolarHBondContact N-O 2.67Å; V706-A789 HydrophobicContact CB-CB 4.4Å; V706-A789 HydrophobicContact CG2-CB 3.74Å
707	R	95.6	Very high	93.9	Very high	126 Å²	126	47.6 Å²	47.6	48%	0.475	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-79.7	133.7	-179	179.9	167.6	178.9	171	-3.7	112.7	I705 Y709 M722 E723	I705-R707 PolarHBondContact O-N 2.98Å; R707-Y709 HydrophobicContact CB-CD2 4.41Å; R707-Y709 HydrophobicContact CB-CE2 3.9Å; R707-Y709 HydrophobicContact CG-CD2 4.08Å; R707-Y709 HydrophobicContact CG-CE2 3.84Å; R707-M722 CarbonylContact O-C 3.56Å; R707-M722 WeakPolarHBondContact O-CA 3.29Å; R707-E723 HydrophobicContact CB-CB 4.31Å; R707-E723 PolarHBondContact N-OE2 3.4Å; R707-E723 PolarHBondContact O-N 3.04Å
708	L	95.6	Very high	93.9	Very high	15 Å²	15	47.4 Å²	47.4	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.8	158.6	-179.5	65	0	0	0	109.2	L697 L720 M722	L697-L708 HydrophobicContact CB-CB 3.91Å; L697-L708 HydrophobicContact CB-CD2 3.88Å; L708-L720 HydrophobicContact CD1-CB 3.94Å; L708-L720 HydrophobicContact CD1-CD2 4.49Å; L708-M722 HydrophobicContact CD1-CG 4.11Å
709	Y	94.4	Very high	94.2	Very high	96 Å²	96	45.2 Å²	45.2	38%	0.376	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-49	179.6	-75.1	-96	0	0	0	112.5	Y673 R707 V721 E723	Y673-Y709 HydrophobicContact CD1-CD2 4.09Å; Y673-Y709 HydrophobicContact CD1-CE2 4.5Å; Y673-Y709 HydrophobicContact CD1-CG 4.36Å; Y673-Y709 HydrophobicContact CE1-CD1 4.08Å; Y673-Y709 AromaticContact CE1-CD2 3.88Å; Y673-Y709 HydrophobicContact CE1-CD2 3.88Å; Y673-Y709 HydrophobicContact CE1-CE1 4.38Å; Y673-Y709 HydrophobicContact CE1-CE2 4.22Å; Y673-Y709 AromaticContact CE1-CG 3.81Å; Y673-Y709 HydrophobicContact CE1-CG 3.81Å; R707-Y709 HydrophobicContact CB-CD2 4.41Å; R707-Y709 HydrophobicContact CB-CE2 3.9Å; R707-Y709 HydrophobicContact CG-CD2 4.08Å; R707-Y709 HydrophobicContact CG-CE2 3.84Å; Y709-V721 WeakPolarHBondContact CB-O 3.24Å; Y709-V721 PolarHBondContact N-O 3.47Å; Y709-E723 HydrophobicContact CE2-CB 3.88Å; Y709-E723 HydrophobicContact CE2-CG 4.19Å
710	E	94.1	Very high	94.6	Very high	41 Å²	41	39.7 Å²	39.7	19%	0.192	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	153.2	-176	-50.9	-169.6	77.9	0	0	110.1	R646 Y647 R666 F712 V721	R646-E710 IonicContact CZ-OE1 3.4Å; R646-E710 IonicContact CZ-OE2 3.67Å; R646-E710 IonicContact NE-OE1 3.8Å; R646-E710 IonicContact NE-OE2 2.74Å; R646-E710 PolarHBondContact NE-OE2 3.18Å; R646-E710 IonicContact NH1-OE1 2.66Å; R646-E710 IonicContact NH2-OE1 2.84Å; R646-E710 PolarHBondContact NH2-OE1 2.9Å; R646-E710 IonicContact NH2-OE2 3.33Å; R646-E710 PolarHBondContact NH2-OE2 3.43Å; Y647-E710 PolarHBondContact OH-OE2 3.05Å; R666-E710 IonicContact NH1-OE2 2.58Å; E710-F712 HydrophobicContact CB-CE2 3.72Å; E710-F712 HydrophobicContact CB-CZ 3.93Å; E710-V721 HydrophobicContact CB-CB 4.14Å; E710-V721 HydrophobicContact CB-CG2 4.25Å; E710-V721 PolarHBondContact N-O 3.14Å; E710-V721 WeakPolarHBondContact O-CA 3.48Å; E710-V721 VanDerWaalsContact O-CB 3.29Å; E710-V721 WeakPolarHBondContact O-CB 3.44Å; E710-V721 PolarHBondContact O-N 3.23Å
711	E	94.8	Very high	94.8	Very high	23 Å²	23	39.3 Å²	39.3	11%	0.107	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	127.4	-177.9	60.3	-58.5	128.6	0	0	111.9	V634 T635 I694 H698 W719 L720	V634-E711 HydrophobicContact CB-CG 4.36Å; V634-E711 HydrophobicContact CG2-CB 4.46Å; V634-E711 HydrophobicContact CG2-CG 3.86Å; T635-E711 PolarHBondContact N-O 2.85Å; T635-E711 VanDerWaalsContact N-O 3.1Å; I694-E711 HydrophobicContact CG2-CG 4.39Å; H698-E711 IonicContact CE1-OE1 2.69Å; H698-E711 PolarHBondContact CE1-OE1 2.93Å; H698-E711 IonicContact CE1-OE2 2.61Å; H698-E711 PolarHBondContact CE1-OE2 3.28Å; H698-E711 IonicContact ND1-OE2 2.95Å; H698-E711 IonicContact NE2-OE1 2.66Å; H698-E711 IonicContact NE2-OE2 3.17Å; E711-W719 VanDerWaalsContact CA-O 3.31Å; E711-W719 WeakPolarHBondContact CA-O 3.24Å; E711-L720 HydrophobicContact CB-CD2 3.77Å
712	F	95.4	Very high	95.1	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.022	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152	-171.6	-56.1	-79.6	0	0	0	111.6	T635 V637 Y642 L643 Y647 E710 I718 W719 V721	T635-F712 HydrophobicContact CG2-CD1 4.21Å; T635-F712 HydrophobicContact CG2-CE1 4.46Å; T635-F712 WeakPolarHBondContact O-CA 3.04Å; V637-F712 HydrophobicContact CG2-CB 4.11Å; V637-F712 HydrophobicContact CG2-CD1 3.74Å; V637-F712 HydrophobicContact CG2-CG 4.3Å; Y642-F712 HydrophobicContact CE1-CD1 4.23Å; Y642-F712 AromaticContact CE1-CE1 3.87Å; Y642-F712 HydrophobicContact CE1-CE1 3.87Å; Y642-F712 HydrophobicContact CE1-CZ 4.41Å; L643-F712 HydrophobicContact CD2-CB 3.99Å; L643-F712 HydrophobicContact CD2-CD1 4.3Å; L643-F712 HydrophobicContact CD2-CD2 3.73Å; L643-F712 HydrophobicContact CD2-CE2 4.29Å; L643-F712 HydrophobicContact CD2-CG 3.74Å; Y647-F712 AromaticContact CE2-CE2 3.93Å; Y647-F712 HydrophobicContact CE2-CE2 3.93Å; E710-F712 HydrophobicContact CB-CE2 3.72Å; E710-F712 HydrophobicContact CB-CZ 3.93Å; F712-I718 WeakPolarHBondContact O-CA 3.46Å; F712-W719 HydrophobicContact CB-CB 4.32Å; F712-W719 PolarHBondContact N-O 2.99Å; F712-W719 PolarHBondContact O-N 3.29Å; F712-V721 HydrophobicContact CD2-CG2 4.12Å; F712-V721 HydrophobicContact CE2-CG2 3.94Å
713	E	94.5	Very high	95.1	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.047	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.6	173.6	171.9	173.9	-164.9	0	0	109.7	S627 V634 T635 Y636 V637 K680 I718	S627-E713 WeakPolarHBondContact CB-OE2 3.22Å; S627-E713 PolarHBondContact OG-OE1 3.24Å; S627-E713 VanDerWaalsContact OG-OE1 3.05Å; S627-E713 PolarHBondContact OG-OE2 3.44Å; V634-E713 HydrophobicContact CG1-CB 3.76Å; T635-E713 PolarHBondContact O-N 2.93Å; Y636-E713 HydrophobicContact CD2-CB 4.19Å; Y636-E713 HydrophobicContact CD2-CG 3.66Å; Y636-E713 HydrophobicContact CE2-CG 3.99Å; V637-E713 PolarHBondContact N-O 3.19Å; K680-E713 WeakPolarHBondContact CE-OE1 3.3Å; K680-E713 IonicContact NZ-OE1 2.72Å; K680-E713 PolarHBondContact NZ-OE1 3.41Å; E713-I718 HydrophobicContact CB-CD1 3.71Å; E713-I718 HydrophobicContact CG-CD1 3.62Å
714	T	93.1	Very high	95.1	Very high	20 Å²	20	31.6 Å²	31.6	12%	0.123	16%	0.162	C	C	.	.			trans	-93.1	-170.5	169.2	70.8	0	0	0	0	109.8	L643 K680 S716 E717	L643-T714 HydrophobicContact CD1-CG2 3.41Å; L643-T714 VanDerWaalsContact CD1-CG2 3.41Å; K680-T714 VanDerWaalsContact CE-O 3.31Å; K680-T714 WeakPolarHBondContact CE-O 3.43Å; K680-T714 PolarHBondContact NZ-O 2.89Å; T714-S716 VanDerWaalsContact C-N 3.33Å; T714-S716 PolarHBondContact O-N 2.87Å; T714-S716 PolarHBondContact OG1-N 3.38Å; T714-E717 PolarHBondContact N-O 3.06Å; T714-E717 WeakPolarHBondContact OG1-CB 3.29Å; T714-E717 PolarHBondContact OG1-N 3.08Å; T714-E717 PolarHBondContact OG1-O 2.71Å
715	A	91.3	Very high	95	Very high	77 Å²	77	32 Å²	32	64%	0.636	16%	0.164	S	C	*	.	S	Bend	trans	-59.4	-44	170	0	0	0	0	0	112.2	K680	K680-A715 PolarHBondContact NZ-O 3.28Å
716	S	91	Very high	94.7	Very high	76 Å²	76	37.9 Å²	37.9	53%	0.531	19%	0.189	S	C	.	.	S	Bend	trans	-108.2	-16.5	-168	48.7	0	0	0	0	115.6	K680 T714	K680-S716 WeakPolarHBondContact CB-O 3.46Å; K680-S716 WeakPolarHBondContact CG-O 3.44Å; K680-S716 PolarHBondContact N-O 3.47Å; T714-S716 VanDerWaalsContact C-N 3.33Å; T714-S716 PolarHBondContact O-N 2.87Å; T714-S716 PolarHBondContact OG1-N 3.38Å
717	E	93.6	Very high	94.5	Very high	55 Å²	55	40.1 Å²	40.1	26%	0.257	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	158.4	-169	-58.6	170	145.3	0	0	112.4	I677 I678 K680 T714 W719	I677-E717 HydrophobicContact CG2-CB 4.27Å; I677-E717 HydrophobicContact CG2-CG 4.22Å; I678-E717 CarbonylContact O-C 3.55Å; I678-E717 VanDerWaalsContact O-CA 3.24Å; I678-E717 WeakPolarHBondContact O-CA 3.36Å; K680-E717 WeakPolarHBondContact CE-O 3.5Å; T714-E717 PolarHBondContact N-O 3.06Å; T714-E717 WeakPolarHBondContact OG1-CB 3.29Å; T714-E717 PolarHBondContact OG1-N 3.08Å; T714-E717 PolarHBondContact OG1-O 2.71Å; E717-W719 PolarHBondContact OE2-NE1 3.25Å
718	I	93.8	Very high	94.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.1	160.3	-53.4	-63.4	0	0	0	107.8	Y629 I678 K680 L683 L690 F712 E713 L720	Y629-I718 HydrophobicContact CD1-CD1 4.22Å; Y629-I718 HydrophobicContact CD2-CD1 3.55Å; Y629-I718 HydrophobicContact CD2-CG1 4.4Å; Y629-I718 HydrophobicContact CE1-CD1 4.45Å; Y629-I718 HydrophobicContact CE1-CG1 4.4Å; Y629-I718 HydrophobicContact CE2-CD1 3.81Å; Y629-I718 HydrophobicContact CE2-CG1 4.24Å; Y629-I718 HydrophobicContact CG-CD1 3.79Å; I678-I718 HydrophobicContact CB-CB 4.38Å; I678-I718 PolarHBondContact N-O 3.25Å; I678-I718 PolarHBondContact O-N 3.38Å; K680-I718 HydrophobicContact CG-CG1 4.36Å; L683-I718 HydrophobicContact CD1-CG1 4.16Å; L690-I718 HydrophobicContact CD2-CB 4.11Å; L690-I718 HydrophobicContact CD2-CG1 3.97Å; L690-I718 HydrophobicContact CD2-CG2 4.11Å; F712-I718 WeakPolarHBondContact O-CA 3.46Å; E713-I718 HydrophobicContact CB-CD1 3.71Å; E713-I718 HydrophobicContact CG-CD1 3.62Å; I718-L720 HydrophobicContact CG2-CD2 4.17Å
719	W	95.7	Very high	94.3	Very high	15 Å²	15	36.7 Å²	36.7	6%	0.057	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.7	-179.4	-75.9	51	0	0	0	109.3	L643 I649 L675 I677 E711 F712 E717	L643-W719 HydrophobicContact CB-CH2 4.13Å; L643-W719 HydrophobicContact CB-CZ2 4.48Å; L643-W719 HydrophobicContact CB-CZ3 4.16Å; L643-W719 HydrophobicContact CD1-CD2 3.67Å; L643-W719 HydrophobicContact CD1-CE3 4.06Å; L643-W719 HydrophobicContact CD1-CG 3.96Å; L643-W719 HydrophobicContact CD1-CH2 4.42Å; L643-W719 HydrophobicContact CD1-CZ2 4.08Å; L643-W719 HydrophobicContact CD1-CZ3 4.4Å; I649-W719 HydrophobicContact CD1-CH2 3.76Å; I649-W719 HydrophobicContact CG1-CH2 4.24Å; L675-W719 HydrophobicContact CD1-CE3 4.45Å; L675-W719 HydrophobicContact CD1-CZ3 3.96Å; I677-W719 HydrophobicContact CD1-CD2 4.19Å; I677-W719 HydrophobicContact CD1-CE3 4.3Å; I677-W719 HydrophobicContact CD1-CH2 3.95Å; I677-W719 HydrophobicContact CD1-CZ2 3.79Å; I677-W719 HydrophobicContact CD1-CZ3 4.21Å; I677-W719 HydrophobicContact CG1-CD2 3.84Å; I677-W719 HydrophobicContact CG1-CE3 4.18Å; I677-W719 HydrophobicContact CG1-CG 4.22Å; I677-W719 HydrophobicContact CG1-CZ2 4.31Å; E711-W719 VanDerWaalsContact CA-O 3.31Å; E711-W719 WeakPolarHBondContact CA-O 3.24Å; F712-W719 HydrophobicContact CB-CB 4.32Å; F712-W719 PolarHBondContact N-O 2.99Å; F712-W719 PolarHBondContact O-N 3.29Å; E717-W719 PolarHBondContact OE2-NE1 3.25Å
720	L	95.5	Very high	94.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.5	170.4	-50.6	-176.9	0	0	0	109	K676 I678 L690 I694 L708 E711 I718 M722	K676-L720 HydrophobicContact CB-CB 4.28Å; K676-L720 HydrophobicContact CD-CD1 4.37Å; K676-L720 PolarHBondContact N-O 3.26Å; K676-L720 PolarHBondContact O-N 3.23Å; I678-L720 HydrophobicContact CD1-CD1 4.19Å; I678-L720 HydrophobicContact CD1-CG 4.36Å; L690-L720 HydrophobicContact CD1-CD1 4.2Å; I694-L720 HydrophobicContact CD1-CD2 3.9Å; I694-L720 HydrophobicContact CG1-CD1 4.36Å; I694-L720 HydrophobicContact CG1-CD2 3.78Å; L708-L720 HydrophobicContact CD1-CB 3.94Å; L708-L720 HydrophobicContact CD1-CD2 4.49Å; E711-L720 HydrophobicContact CB-CD2 3.77Å; I718-L720 HydrophobicContact CG2-CD2 4.17Å; L720-M722 HydrophobicContact CB-CG 4.13Å; L720-M722 HydrophobicContact CB-SD 4.21Å
721	V	96.8	Very high	94.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	102.8	178.9	-173.9	0	0	0	0	108.2	Y647 Y673 L675 Y709 E710 F712	Y647-V721 HydrophobicContact CE1-CG1 3.99Å; Y647-V721 HydrophobicContact CE2-CG2 4.15Å; Y673-V721 HydrophobicContact CD1-CG1 3.68Å; Y673-V721 HydrophobicContact CD2-CG1 4.32Å; Y673-V721 HydrophobicContact CE1-CG1 4.35Å; Y673-V721 HydrophobicContact CG-CG1 3.66Å; L675-V721 HydrophobicContact CD2-CB 4.35Å; L675-V721 HydrophobicContact CD2-CG1 4.1Å; L675-V721 HydrophobicContact CD2-CG2 3.9Å; Y709-V721 WeakPolarHBondContact CB-O 3.24Å; Y709-V721 PolarHBondContact N-O 3.47Å; E710-V721 HydrophobicContact CB-CB 4.14Å; E710-V721 HydrophobicContact CB-CG2 4.25Å; E710-V721 PolarHBondContact N-O 3.14Å; E710-V721 WeakPolarHBondContact O-CA 3.48Å; E710-V721 VanDerWaalsContact O-CB 3.29Å; E710-V721 WeakPolarHBondContact O-CB 3.44Å; E710-V721 PolarHBondContact O-N 3.23Å; F712-V721 HydrophobicContact CD2-CG2 4.12Å; F712-V721 HydrophobicContact CE2-CG2 3.94Å
722	M	97	Very high	94.1	Very high	13 Å²	13	37.8 Å²	37.8	6%	0.064	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	162.6	-169.9	-56	177.3	74.2	0	0	111.3	Y673 A674 K676 L697 V706 R707 L708 L720 F724	Y673-M722 CarbonylContact C-O 3.49Å; Y673-M722 WeakPolarHBondContact CA-O 3.38Å; Y673-M722 WeakPolarHBondContact CB-O 3.37Å; A674-M722 HydrophobicContact CB-CB 4.33Å; A674-M722 PolarHBondContact N-O 2.9Å; A674-M722 PolarHBondContact O-N 2.91Å; K676-M722 HydrophobicContact CB-SD 4.07Å; K676-M722 HydrophobicContact CD-SD 4.19Å; L697-M722 HydrophobicContact CD1-CE 4Å; V706-M722 HydrophobicContact CG1-CB 4.16Å; V706-M722 HydrophobicContact CG1-CE 3.89Å; R707-M722 CarbonylContact O-C 3.56Å; R707-M722 WeakPolarHBondContact O-CA 3.29Å; L708-M722 HydrophobicContact CD1-CG 4.11Å; L720-M722 HydrophobicContact CB-CG 4.13Å; L720-M722 HydrophobicContact CB-SD 4.21Å; M722-F724 PolarHBondContact O-N 3.38Å
723	E	96.3	Very high	93.8	Very high	38 Å²	38	38 Å²	38	18%	0.178	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	125.8	174.8	-158.8	177.5	173.3	0	0	111.6	V706 R707 Y709 I725 K787	V706-E723 HydrophobicContact CG1-CB 4.05Å; R707-E723 HydrophobicContact CB-CB 4.31Å; R707-E723 PolarHBondContact N-OE2 3.4Å; R707-E723 PolarHBondContact O-N 3.04Å; Y709-E723 HydrophobicContact CE2-CB 3.88Å; Y709-E723 HydrophobicContact CE2-CG 4.19Å; E723-I725 HydrophobicContact CB-CD1 4.43Å; E723-I725 HydrophobicContact CG-CD1 3.9Å; E723-K787 WeakPolarHBondContact OE1-CE 3.22Å; E723-K787 IonicContact OE1-NZ 2.64Å; E723-K787 PolarHBondContact OE1-NZ 2.61Å; E723-K787 WeakPolarHBondContact OE2-CE 3.41Å; E723-K787 IonicContact OE2-NZ 3.77Å; E723-K787 PolarHBondContact OE2-NZ 3.02Å
724	F	96.4	Very high	93.6	Very high	36 Å²	36	38.2 Å²	38.2	16%	0.158	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-84	117.7	174.6	177.5	-124	0	0	0	111.1	L653 L663 Q672 M722 K726	L653-F724 HydrophobicContact CD1-CD2 3.72Å; L653-F724 HydrophobicContact CD1-CE2 3.62Å; L653-F724 HydrophobicContact CD2-CE2 3.88Å; L653-F724 HydrophobicContact CD2-CZ 4.49Å; L653-F724 HydrophobicContact CG-CE2 4.42Å; L663-F724 HydrophobicContact CD1-CD1 3.78Å; L663-F724 HydrophobicContact CD1-CD2 3.95Å; L663-F724 HydrophobicContact CD1-CE1 3.85Å; L663-F724 HydrophobicContact CD1-CE2 4.05Å; L663-F724 HydrophobicContact CD1-CG 3.83Å; L663-F724 HydrophobicContact CD1-CZ 4Å; Q672-F724 HydrophobicContact CB-CB 4.28Å; Q672-F724 HydrophobicContact CB-CD1 3.8Å; Q672-F724 HydrophobicContact CB-CG 4.39Å; M722-F724 PolarHBondContact O-N 3.38Å; F724-K726 HydrophobicContact CE1-CB 3.9Å; F724-K726 HydrophobicContact CZ-CB 4.19Å
725	I	95	Very high	93.4	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.082	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-102.5	121.5	174	-48	-53.7	0	0	0	108.7	V706 E723 L775 L776 L777 K787	V706-I725 HydrophobicContact CG2-CG1 4.34Å; E723-I725 HydrophobicContact CB-CD1 4.43Å; E723-I725 HydrophobicContact CG-CD1 3.9Å; I725-L775 HydrophobicContact CB-CB 3.79Å; I725-L775 HydrophobicContact CB-CD1 3.85Å; I725-L775 HydrophobicContact CB-CG 4.46Å; I725-L775 HydrophobicContact CG1-CB 3.96Å; I725-L775 HydrophobicContact CG1-CD1 3.69Å; I725-L775 HydrophobicContact CG1-CG 4.49Å; I725-L775 HydrophobicContact CG2-CB 3.69Å; I725-L776 WeakPolarHBondContact CG2-O 3.36Å; I725-L777 HydrophobicContact CD1-CD2 4.22Å; I725-L777 HydrophobicContact CG2-CD2 3.96Å; I725-L777 HydrophobicContact CG2-CG 4.05Å; I725-K787 HydrophobicContact CD1-CD 3.54Å; I725-K787 HydrophobicContact CG1-CD 4.25Å
726	K	92.4	Very high	93.2	Very high	127 Å²	127	45.1 Å²	45.1	55%	0.552	24%	0.238	S	C	*	.			trans	-87.5	-25.9	-164.6	61.6	167.1	176.6	75.8	0	115.7	F724 G728	F724-K726 HydrophobicContact CE1-CB 3.9Å; F724-K726 HydrophobicContact CZ-CB 4.19Å; K726-G728 VanDerWaalsContact C-N 3.32Å; K726-G728 PolarHBondContact O-N 3.32Å
727	D	92	Very high	92.8	Very high	52 Å²	52	43.5 Å²	43.5	28%	0.278	23%	0.229	S	C	.	.	S	Bend	trans	-94	18.5	-166.5	-54.1	-60.5	0	0	0	113.5	L776 R778	D727-L776 HydrophobicContact CB-CB 4.34Å; D727-L776 WeakPolarHBondContact CB-O 3.22Å; D727-R778 HydrophobicContact CB-CB 4.43Å; D727-R778 PolarHBondContact OD2-N 3.38Å
728	G	92.4	Very high	92.1	Very high	31 Å²	31	46 Å²	46	32%	0.32	25%	0.249	S	C	.	.			trans	83.3	-163.9	178.1	0	0	0	0	0	114.1	K726 L776	K726-G728 VanDerWaalsContact C-N 3.32Å; K726-G728 PolarHBondContact O-N 3.32Å; G728-L776 PolarHBondContact O-N 3.27Å
729	D	94.8	Very high	91.5	Very high	39 Å²	39	51 Å²	51	21%	0.209	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-108.7	173.2	175.8	66.6	53.6	0	0	0	112.3	F731 D732 G733 I774 L775 L776	D729-F731 VanDerWaalsContact C-N 3.31Å; D729-F731 PolarHBondContact O-N 3.22Å; D729-F731 WeakPolarHBondContact OD1-CA 3.38Å; D729-F731 WeakPolarHBondContact OD1-CB 3.16Å; D729-F731 PolarHBondContact OD1-N 3.34Å; D729-D732 PolarHBondContact OD1-N 3.31Å; D729-G733 PolarHBondContact O-N 3.05Å; D729-I774 CarbonylContact C-O 3.5Å; D729-I774 VanDerWaalsContact CA-O 3.31Å; D729-I774 WeakPolarHBondContact CA-O 3.14Å; D729-L775 HydrophobicContact CB-CD2 3.92Å; D729-L776 WeakPolarHBondContact O-CD1 3.49Å
730	L	95.2	Very high	91.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-73.2	-21.1	-178.2	-177.7	64.6	0	0	0	112.4	G733 I734 F740 I748 P771 I774 L776 I833 M837	L730-G733 PolarHBondContact O-N 2.78Å; L730-I734 HydrophobicContact CD1-CD1 4.3Å; L730-I734 HydrophobicContact CD1-CG1 4.18Å; L730-I734 HydrophobicContact CD2-CD1 4.48Å; L730-I734 HydrophobicContact CG-CD1 3.88Å; L730-I734 HydrophobicContact CG-CG1 4.25Å; L730-I734 WeakPolarHBondContact O-CB 3.45Å; L730-I734 WeakPolarHBondContact O-CD1 3.35Å; L730-I734 WeakPolarHBondContact O-CG1 3.48Å; L730-I734 PolarHBondContact O-N 3.36Å; L730-F740 HydrophobicContact CD1-CE2 3.65Å; L730-F740 HydrophobicContact CD1-CZ 4.26Å; L730-I748 HydrophobicContact CD1-CD1 4.05Å; L730-I748 HydrophobicContact CD2-CG2 4.22Å; L730-P771 HydrophobicContact CB-CB 4.01Å; L730-P771 WeakPolarHBondContact CB-O 3.47Å; L730-P771 HydrophobicContact CD2-CB 4.35Å; L730-P771 HydrophobicContact CG-CB 4.11Å; L730-P771 PolarHBondContact N-O 2.77Å; L730-I774 HydrophobicContact CB-CB 3.94Å; L730-I774 HydrophobicContact CB-CG2 3.99Å; L730-I774 HydrophobicContact CD2-CB 4.2Å; L730-I774 HydrophobicContact CD2-CD1 3.94Å; L730-I774 HydrophobicContact CD2-CG2 3.97Å; L730-I774 PolarHBondContact N-O 3.16Å; L730-L776 HydrophobicContact CB-CD2 4.11Å; L730-L776 HydrophobicContact CD1-CD2 3.99Å; L730-I833 HydrophobicContact CD2-CG2 3.82Å; L730-M837 HydrophobicContact CD1-SD 3.98Å; L730-M837 HydrophobicContact CD2-SD 4.02Å
731	F	92.4	Very high	91.1	Very high	103 Å²	103	55.1 Å²	55.1	45%	0.452	30%	0.296	S	S	.	.	H	α-helix	trans	-68.7	-49.5	174	-177.1	-87	0	0	0	110.5	D729 G733 I734 T735 P771 E772	D729-F731 VanDerWaalsContact C-N 3.31Å; D729-F731 PolarHBondContact O-N 3.22Å; D729-F731 WeakPolarHBondContact OD1-CA 3.38Å; D729-F731 WeakPolarHBondContact OD1-CB 3.16Å; D729-F731 PolarHBondContact OD1-N 3.34Å; F731-G733 VanDerWaalsContact C-N 3.28Å; F731-G733 PolarHBondContact O-N 3.17Å; F731-I734 PolarHBondContact O-N 2.95Å; F731-T735 WeakPolarHBondContact O-CB 3.35Å; F731-T735 PolarHBondContact O-N 2.97Å; F731-T735 PolarHBondContact O-OG1 2.71Å; F731-P771 HydrophobicContact CB-CB 3.96Å; F731-E772 HydrophobicContact CB-CG 4.09Å; F731-E772 HydrophobicContact CD2-CG 4.45Å; F731-E772 HydrophobicContact CG-CG 4.36Å
732	D	91.2	Very high	91.1	Very high	80 Å²	80	56.4 Å²	56.4	43%	0.428	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-40.9	171.6	-100.7	0.1	0	0	0	110.7	D729 T735 Q736	D729-D732 PolarHBondContact OD1-N 3.31Å; D732-T735 PolarHBondContact O-N 3.38Å; D732-Q736 WeakPolarHBondContact O-CB 3.42Å; D732-Q736 VanDerWaalsContact O-CG 3.23Å; D732-Q736 WeakPolarHBondContact O-CG 3.17Å; D732-Q736 PolarHBondContact O-N 2.84Å; D732-Q736 PolarHBondContact O-NE2 2.91Å
733	G	90.2	Very high	90.9	Very high	9 Å²	9	58.5 Å²	58.5	9%	0.093	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-48	175.6	0	0	0	0	0	114.2	D729 L730 F731 Q736 A737	D729-G733 PolarHBondContact O-N 3.05Å; L730-G733 PolarHBondContact O-N 2.78Å; F731-G733 VanDerWaalsContact C-N 3.28Å; F731-G733 PolarHBondContact O-N 3.17Å; G733-Q736 PolarHBondContact O-N 3.1Å; G733-A737 VanDerWaalsContact O-CB 3.29Å; G733-A737 WeakPolarHBondContact O-CB 3.46Å; G733-A737 PolarHBondContact O-N 3.48Å
734	I	89.9	Confident	90.9	Very high	15 Å²	15	59.8 Å²	59.8	8%	0.077	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-42.8	176.1	-68.8	162.1	0	0	0	110.1	L730 F731 Q736 A737 T738 F740 P771 I836 M837	L730-I734 HydrophobicContact CD1-CD1 4.3Å; L730-I734 HydrophobicContact CD1-CG1 4.18Å; L730-I734 HydrophobicContact CD2-CD1 4.48Å; L730-I734 HydrophobicContact CG-CD1 3.88Å; L730-I734 HydrophobicContact CG-CG1 4.25Å; L730-I734 WeakPolarHBondContact O-CB 3.45Å; L730-I734 WeakPolarHBondContact O-CD1 3.35Å; L730-I734 WeakPolarHBondContact O-CG1 3.48Å; L730-I734 PolarHBondContact O-N 3.36Å; F731-I734 PolarHBondContact O-N 2.95Å; I734-Q736 VanDerWaalsContact C-N 3.34Å; I734-Q736 PolarHBondContact O-N 3.15Å; I734-A737 PolarHBondContact O-N 2.97Å; I734-T738 CarbonylContact O-C 3.48Å; I734-T738 VanDerWaalsContact O-CA 3.3Å; I734-T738 WeakPolarHBondContact O-CA 3.42Å; I734-T738 PolarHBondContact O-N 2.82Å; I734-F740 HydrophobicContact CG1-CD2 4.29Å; I734-F740 HydrophobicContact CG1-CE2 3.77Å; I734-P771 HydrophobicContact CD1-CB 4.26Å; I734-P771 HydrophobicContact CD1-CG 4.19Å; I734-I836 HydrophobicContact CD1-CG2 4.09Å; I734-I836 HydrophobicContact CG2-CG2 4.28Å; I734-M837 HydrophobicContact CD1-CG 3.95Å; I734-M837 HydrophobicContact CG1-CG 4.19Å
735	T	89.2	Confident	90.9	Very high	91 Å²	91	58.1 Å²	58.1	56%	0.558	32%	0.316	S	S	*	.	H	α-helix	trans	-63.4	-38.1	179.4	-59.8	0	0	0	0	112.1	F731 D732	F731-T735 WeakPolarHBondContact O-CB 3.35Å; F731-T735 PolarHBondContact O-N 2.97Å; F731-T735 PolarHBondContact O-OG1 2.71Å; D732-T735 PolarHBondContact O-N 3.38Å
736	Q	86.7	Confident	91	Very high	151 Å²	151	57.3 Å²	57.3	71%	0.706	31%	0.312	S	S	*	.	H	α-helix	trans	-76	-37.9	177	-71.2	169.1	51.5	0	0	113.1	D732 G733 I734	D732-Q736 WeakPolarHBondContact O-CB 3.42Å; D732-Q736 VanDerWaalsContact O-CG 3.23Å; D732-Q736 WeakPolarHBondContact O-CG 3.17Å; D732-Q736 PolarHBondContact O-N 2.84Å; D732-Q736 PolarHBondContact O-NE2 2.91Å; G733-Q736 PolarHBondContact O-N 3.1Å; I734-Q736 VanDerWaalsContact C-N 3.34Å; I734-Q736 PolarHBondContact O-N 3.15Å
737	A	82.2	Confident	91.2	Very high	41 Å²	41	52.4 Å²	52.4	34%	0.339	30%	0.297	S	S	.	.	H	α-helix	trans	-81.3	-19	179.9	0	0	0	0	0	113.5	G733 I734 K739 F740	G733-A737 VanDerWaalsContact O-CB 3.29Å; G733-A737 WeakPolarHBondContact O-CB 3.46Å; G733-A737 PolarHBondContact O-N 3.48Å; I734-A737 PolarHBondContact O-N 2.97Å; A737-K739 PolarHBondContact O-N 3.47Å; A737-F740 HydrophobicContact CB-CD1 4.14Å; A737-F740 HydrophobicContact CB-CE1 3.89Å; A737-F740 HydrophobicContact CB-CZ 4.26Å
738	T	78.7	Confident	91.4	Very high	109 Å²	109	49.9 Å²	49.9	67%	0.669	28%	0.284	S	S	*	.	S	Bend	trans	64.9	-45.4	-163	-28.9	0	0	0	0	113.7	I734 G840	I734-T738 CarbonylContact O-C 3.48Å; I734-T738 VanDerWaalsContact O-CA 3.3Å; I734-T738 WeakPolarHBondContact O-CA 3.42Å; I734-T738 PolarHBondContact O-N 2.82Å; T738-G840 WeakPolarHBondContact O-CA 3.38Å
739	K	80.9	Confident	91.7	Very high	105 Å²	105	48.4 Å²	48.4	46%	0.457	27%	0.269	S	S	.	.	S	Bend	trans	-156.9	157	167.3	57.4	169.3	178	174.2	0	110	A737 L838	A737-K739 PolarHBondContact O-N 3.47Å; K739-L838 VanDerWaalsContact CD-O 3.22Å; K739-L838 WeakPolarHBondContact CD-O 3.38Å
740	F	90.1	Very high	91.8	Very high	17 Å²	17	48.4 Å²	48.4	8%	0.075	27%	0.272	C	S	.	.			trans	-90.3	155.3	173	-70.6	-66	0	0	0	111.8	L730 I734 A737 I744 A745 I748 I784 M837	L730-F740 HydrophobicContact CD1-CE2 3.65Å; L730-F740 HydrophobicContact CD1-CZ 4.26Å; I734-F740 HydrophobicContact CG1-CD2 4.29Å; I734-F740 HydrophobicContact CG1-CE2 3.77Å; A737-F740 HydrophobicContact CB-CD1 4.14Å; A737-F740 HydrophobicContact CB-CE1 3.89Å; A737-F740 HydrophobicContact CB-CZ 4.26Å; F740-I744 HydrophobicContact CB-CB 4.3Å; F740-I744 HydrophobicContact CB-CG2 4.22Å; F740-I744 HydrophobicContact CD1-CB 4.25Å; F740-I744 HydrophobicContact CD1-CG2 3.48Å; F740-I744 VanDerWaalsContact CD1-CG2 3.48Å; F740-I744 HydrophobicContact CE1-CG2 4.04Å; F740-I744 HydrophobicContact CG-CG2 3.97Å; F740-A745 HydrophobicContact CB-CB 4.26Å; F740-I748 HydrophobicContact CD2-CD1 4.27Å; F740-I748 HydrophobicContact CE2-CD1 4.19Å; F740-I748 HydrophobicContact CZ-CD1 4.44Å; F740-I784 HydrophobicContact CE1-CD1 4.17Å; F740-M837 HydrophobicContact CD2-CB 4.15Å; F740-M837 HydrophobicContact CD2-CG 3.98Å; F740-M837 HydrophobicContact CD2-SD 4.1Å; F740-M837 HydrophobicContact CE2-CG 4.49Å; F740-M837 HydrophobicContact CE2-SD 4.49Å; F740-M837 PolarHBondContact N-O 2.82Å
741	T	93.5	Very high	92	Very high	85 Å²	85	48.7 Å²	48.7	52%	0.521	27%	0.273	S	S	.	.			trans	-73.2	154.2	165.2	57	0	0	0	0	110	P743 I744 A745	T741-P743 VanDerWaalsContact C-N 3.35Å; T741-I744 PolarHBondContact O-N 3.11Å; T741-I744 VanDerWaalsContact O-N 3.07Å; T741-I744 WeakPolarHBondContact OG1-CD1 3.49Å; T741-I744 WeakPolarHBondContact OG1-CG1 3.29Å; T741-A745 PolarHBondContact O-N 3.1Å
742	E	95.8	Very high	92.3	Very high	27 Å²	27	43.9 Å²	43.9	13%	0.126	25%	0.252	C	S	.	.	H	α-helix	trans	-53.9	-41.7	-177.7	-70.4	-173.2	-126.9	0	0	113.8	I744 A745 A746 L838 I873 S874 W903	E742-I744 PolarHBondContact O-N 2.94Å; E742-A745 PolarHBondContact O-N 2.96Å; E742-A746 VanDerWaalsContact O-CB 3.22Å; E742-A746 WeakPolarHBondContact O-CB 3.24Å; E742-A746 PolarHBondContact O-N 2.64Å; E742-L838 HydrophobicContact CG-CD2 3.88Å; E742-I873 HydrophobicContact CG-CD1 4.37Å; E742-I873 WeakPolarHBondContact OE1-CA 3.49Å; E742-S874 PolarHBondContact OE1-N 3.2Å; E742-S874 VanDerWaalsContact OE2-CB 3.23Å; E742-S874 WeakPolarHBondContact OE2-CB 3.06Å; E742-S874 PolarHBondContact OE2-OG 2.78Å; E742-W903 HydrophobicContact CB-CZ2 3.94Å; E742-W903 HydrophobicContact CG-CZ2 4.09Å; E742-W903 PolarHBondContact OE2-NE1 2.88Å
743	P	94.7	Very high	92.6	Very high	57 Å²	57	40 Å²	40	37%	0.37	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-33.7	177	-26	37.2	0	0	0	114.9	T741 G747 S907 L909	T741-P743 VanDerWaalsContact C-N 3.35Å; P743-G747 PolarHBondContact O-N 2.82Å; P743-G747 VanDerWaalsContact O-N 3.1Å; P743-S907 WeakPolarHBondContact CA-O 3.33Å; P743-S907 VanDerWaalsContact CB-O 3.31Å; P743-S907 WeakPolarHBondContact CB-O 3.18Å; P743-L909 HydrophobicContact CG-CD2 4.05Å
744	I	94.4	Very high	93	Very high	65 Å²	65	41.1 Å²	41.1	33%	0.333	24%	0.238	S	C	.	.	H	α-helix	trans	-72.3	-45.5	175.9	-62.5	173.9	0	0	0	109.7	F740 T741 E742 A746 G747 I748 I784	F740-I744 HydrophobicContact CB-CB 4.3Å; F740-I744 HydrophobicContact CB-CG2 4.22Å; F740-I744 HydrophobicContact CD1-CB 4.25Å; F740-I744 HydrophobicContact CD1-CG2 3.48Å; F740-I744 VanDerWaalsContact CD1-CG2 3.48Å; F740-I744 HydrophobicContact CE1-CG2 4.04Å; F740-I744 HydrophobicContact CG-CG2 3.97Å; T741-I744 PolarHBondContact O-N 3.11Å; T741-I744 VanDerWaalsContact O-N 3.07Å; T741-I744 WeakPolarHBondContact OG1-CD1 3.49Å; T741-I744 WeakPolarHBondContact OG1-CG1 3.29Å; E742-I744 PolarHBondContact O-N 2.94Å; I744-A746 PolarHBondContact O-N 2.94Å; I744-G747 PolarHBondContact O-N 2.93Å; I744-I748 HydrophobicContact CG2-CD1 3.94Å; I744-I748 WeakPolarHBondContact O-CG1 3.31Å; I744-I748 PolarHBondContact O-N 3.34Å; I744-I784 HydrophobicContact CG2-CD1 3.96Å
745	A	96.6	Very high	93.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-42.2	177.4	0	0	0	0	0	111.9	F740 T741 E742 I748 V749 M837 L838 W903	F740-A745 HydrophobicContact CB-CB 4.26Å; T741-A745 PolarHBondContact O-N 3.1Å; E742-A745 PolarHBondContact O-N 2.96Å; A745-I748 PolarHBondContact O-N 2.94Å; A745-V749 WeakPolarHBondContact O-CG2 3.36Å; A745-V749 PolarHBondContact O-N 2.64Å; A745-M837 HydrophobicContact CB-CB 4.32Å; A745-M837 HydrophobicContact CB-CE 4.31Å; A745-L838 HydrophobicContact CB-CD2 3.61Å; A745-L838 HydrophobicContact CB-CG 4.35Å; A745-W903 HydrophobicContact CB-CH2 3.81Å; A745-W903 HydrophobicContact CB-CZ2 4.35Å
746	A	97.2	Very high	93.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-39.2	176.4	0	0	0	0	0	112.5	E742 I744 V749 S750 W903 G908	E742-A746 VanDerWaalsContact O-CB 3.22Å; E742-A746 WeakPolarHBondContact O-CB 3.24Å; E742-A746 PolarHBondContact O-N 2.64Å; I744-A746 PolarHBondContact O-N 2.94Å; A746-V749 PolarHBondContact O-N 2.92Å; A746-S750 VanDerWaalsContact O-CB 3.32Å; A746-S750 WeakPolarHBondContact O-CB 3.47Å; A746-S750 PolarHBondContact O-N 2.69Å; A746-W903 VanDerWaalsContact CA-CZ3 3.5Å; A746-W903 HydrophobicContact CB-CD2 4.13Å; A746-W903 HydrophobicContact CB-CE3 3.84Å; A746-W903 HydrophobicContact CB-CH2 3.91Å; A746-W903 HydrophobicContact CB-CZ2 4.12Å; A746-W903 HydrophobicContact CB-CZ3 3.75Å; A746-G908 VanDerWaalsContact CB-N 3.25Å
747	G	96.4	Very high	94.4	Very high	23 Å²	23	29.9 Å²	29.9	24%	0.237	18%	0.179	C	C	.	.	H	α-helix	trans	-61	-44	172.3	0	0	0	0	0	112.8	P743 I744 S750 D751	P743-G747 PolarHBondContact O-N 2.82Å; P743-G747 VanDerWaalsContact O-N 3.1Å; I744-G747 PolarHBondContact O-N 2.93Å; G747-S750 PolarHBondContact O-N 2.98Å; G747-D751 PolarHBondContact O-N 2.77Å; G747-D751 VanDerWaalsContact O-N 3.09Å
748	I	97.2	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-44.8	175.5	-65.4	164.4	0	0	0	110.9	L730 F740 I744 A745 S750 D751 L752 I784 V786 M837	L730-I748 HydrophobicContact CD1-CD1 4.05Å; L730-I748 HydrophobicContact CD2-CG2 4.22Å; F740-I748 HydrophobicContact CD2-CD1 4.27Å; F740-I748 HydrophobicContact CE2-CD1 4.19Å; F740-I748 HydrophobicContact CZ-CD1 4.44Å; I744-I748 HydrophobicContact CG2-CD1 3.94Å; I744-I748 WeakPolarHBondContact O-CG1 3.31Å; I744-I748 PolarHBondContact O-N 3.34Å; A745-I748 PolarHBondContact O-N 2.94Å; I748-S750 VanDerWaalsContact C-N 3.35Å; I748-S750 PolarHBondContact O-N 3.36Å; I748-D751 PolarHBondContact O-N 2.96Å; I748-L752 HydrophobicContact CG2-CD1 3.88Å; I748-L752 HydrophobicContact CG2-CG 4.46Å; I748-L752 VanDerWaalsContact O-CG 3.28Å; I748-L752 WeakPolarHBondContact O-CG 3.4Å; I748-L752 PolarHBondContact O-N 3.22Å; I748-I784 HydrophobicContact CD1-CG2 4.43Å; I748-I784 HydrophobicContact CG1-CG2 4.37Å; I748-V786 HydrophobicContact CB-CG1 4.5Å; I748-V786 HydrophobicContact CG1-CG1 4.05Å; I748-V786 HydrophobicContact CG2-CG1 4.04Å; I748-V786 HydrophobicContact CG2-CG2 4.17Å; I748-M837 HydrophobicContact CB-CE 4.23Å; I748-M837 HydrophobicContact CB-SD 4.08Å; I748-M837 HydrophobicContact CD1-SD 3.87Å; I748-M837 HydrophobicContact CG2-CE 3.93Å; I748-M837 HydrophobicContact CG2-SD 3.72Å
749	V	98.3	Very high	95.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.9	-38.5	176.9	170.8	0	0	0	0	111.8	A745 A746 L752 A753 L830 T834 M837 L880 T898 W903 V904	A745-V749 WeakPolarHBondContact O-CG2 3.36Å; A745-V749 PolarHBondContact O-N 2.64Å; A746-V749 PolarHBondContact O-N 2.92Å; V749-L752 PolarHBondContact O-N 3.33Å; V749-A753 VanDerWaalsContact O-CB 3.22Å; V749-A753 WeakPolarHBondContact O-CB 3.41Å; V749-A753 PolarHBondContact O-N 2.98Å; V749-L830 HydrophobicContact CG1-CD1 4.48Å; V749-L830 HydrophobicContact CG1-CD2 4.42Å; V749-L830 HydrophobicContact CG2-CD1 4.45Å; V749-T834 HydrophobicContact CG2-CG2 3.91Å; V749-T834 VanDerWaalsContact CG2-OG1 3.25Å; V749-T834 WeakPolarHBondContact CG2-OG1 3.49Å; V749-M837 HydrophobicContact CG2-CE 3.73Å; V749-L880 HydrophobicContact CG1-CD2 4.31Å; V749-T898 HydrophobicContact CG1-CG2 3.98Å; V749-W903 HydrophobicContact CB-CZ3 4.29Å; V749-W903 HydrophobicContact CG2-CZ3 4.15Å; V749-V904 HydrophobicContact CG1-CG2 3.9Å
750	S	98.2	Very high	96.7	Very high	39 Å²	39	19.7 Å²	19.7	27%	0.273	12%	0.117	S	C	.	.	H	α-helix	trans	-61.6	-47.7	175.6	-169.8	0	0	0	0	111.6	A746 G747 I748 L752 A753 S754	A746-S750 VanDerWaalsContact O-CB 3.32Å; A746-S750 WeakPolarHBondContact O-CB 3.47Å; A746-S750 PolarHBondContact O-N 2.69Å; G747-S750 PolarHBondContact O-N 2.98Å; I748-S750 VanDerWaalsContact C-N 3.35Å; I748-S750 PolarHBondContact O-N 3.36Å; S750-L752 PolarHBondContact O-N 2.9Å; S750-A753 PolarHBondContact O-N 3.06Å; S750-S754 VanDerWaalsContact O-CB 3.25Å; S750-S754 WeakPolarHBondContact O-CB 3.41Å; S750-S754 PolarHBondContact O-N 3.44Å
751	D	98.2	Very high	96.9	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.027	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-41.9	175.7	-88.4	-13.1	0	0	0	113	N704 G747 I748 S754 A755 R785 V786	N704-D751 HydrophobicContact CB-CB 4.48Å; N704-D751 WeakPolarHBondContact CB-O 3.39Å; N704-D751 WeakPolarHBondContact ND2-CB 3.45Å; N704-D751 PolarHBondContact ND2-OD1 3Å; N704-D751 PolarHBondContact ND2-OD2 2.88Å; G747-D751 PolarHBondContact O-N 2.77Å; G747-D751 VanDerWaalsContact O-N 3.09Å; I748-D751 PolarHBondContact O-N 2.96Å; D751-S754 WeakPolarHBondContact O-CB 3.49Å; D751-A755 PolarHBondContact O-N 2.85Å; D751-R785 VanDerWaalsContact CG-NE 3.28Å; D751-R785 IonicContact OD1-CZ 3.21Å; D751-R785 IonicContact OD1-NE 2.9Å; D751-R785 PolarHBondContact OD1-NE 2.85Å; D751-R785 IonicContact OD1-NH2 2.89Å; D751-R785 PolarHBondContact OD1-NH2 3.48Å; D751-R785 WeakPolarHBondContact OD2-CA 3.16Å; D751-R785 WeakPolarHBondContact OD2-CB 3.25Å; D751-R785 WeakPolarHBondContact OD2-CD 3.42Å; D751-R785 IonicContact OD2-CZ 3.82Å; D751-R785 IonicContact OD2-NE 4Å; D751-R785 PolarHBondContact OD2-NE 2.87Å; D751-R785 IonicContact OD2-NH2 3.45Å; D751-V786 HydrophobicContact CB-CG2 3.53Å; D751-V786 PolarHBondContact OD2-N 3.09Å
752	L	98.4	Very high	96.8	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-70.1	-45	178	-68.3	170.9	0	0	0	112.1	I748 V749 S750 S754 A755 L756 I774 V786 L830	I748-L752 HydrophobicContact CG2-CD1 3.88Å; I748-L752 HydrophobicContact CG2-CG 4.46Å; I748-L752 VanDerWaalsContact O-CG 3.28Å; I748-L752 WeakPolarHBondContact O-CG 3.4Å; I748-L752 PolarHBondContact O-N 3.22Å; V749-L752 PolarHBondContact O-N 3.33Å; S750-L752 PolarHBondContact O-N 2.9Å; L752-S754 PolarHBondContact O-N 2.78Å; L752-A755 PolarHBondContact O-N 3.38Å; L752-L756 WeakPolarHBondContact O-CG 3.18Å; L752-L756 PolarHBondContact O-N 3.43Å; L752-I774 HydrophobicContact CD1-CD1 3.81Å; L752-I774 HydrophobicContact CD2-CD1 3.85Å; L752-I774 HydrophobicContact CD2-CG1 3.84Å; L752-I774 HydrophobicContact CD2-CG2 3.91Å; L752-V786 HydrophobicContact CD2-CG2 3.97Å; L752-V786 HydrophobicContact CG-CG2 3.91Å; L752-L830 HydrophobicContact CB-CD1 3.79Å; L752-L830 HydrophobicContact CD1-CD1 3.79Å; L752-L830 HydrophobicContact CG-CD1 4.46Å
753	A	98.6	Very high	96.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-32.7	176.1	0	0	0	0	0	111.5	V749 S750 F757 L830 T898 L899	V749-A753 VanDerWaalsContact O-CB 3.22Å; V749-A753 WeakPolarHBondContact O-CB 3.41Å; V749-A753 PolarHBondContact O-N 2.98Å; S750-A753 PolarHBondContact O-N 3.06Å; A753-F757 WeakPolarHBondContact O-CB 3.47Å; A753-F757 PolarHBondContact O-N 3.47Å; A753-L830 HydrophobicContact CB-CD2 4.3Å; A753-T898 HydrophobicContact CB-CG2 3.71Å; A753-L899 HydrophobicContact CB-CD2 3.98Å; A753-L899 HydrophobicContact CB-CG 3.86Å
754	S	98.3	Very high	96.7	Very high	32 Å²	32	16.6 Å²	16.6	22%	0.224	10%	0.096	C	C	.	.	H	α-helix	trans	-63.5	-47.8	170.9	-170	0	0	0	0	111.8	H702 S750 D751 L752 F757 Y758	H702-S754 VanDerWaalsContact CE1-C 3.46Å; H702-S754 PolarHBondContact CE1-OG 3.33Å; H702-S754 VanDerWaalsContact CE1-OG 3.24Å; H702-S754 PolarHBondContact NE2-OG 3.16Å; S750-S754 VanDerWaalsContact O-CB 3.25Å; S750-S754 WeakPolarHBondContact O-CB 3.41Å; S750-S754 PolarHBondContact O-N 3.44Å; D751-S754 WeakPolarHBondContact O-CB 3.49Å; L752-S754 PolarHBondContact O-N 2.78Å; S754-F757 PolarHBondContact O-N 2.85Å; S754-Y758 PolarHBondContact O-N 2.9Å
755	A	98.3	Very high	96.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.2	-44.2	174.5	0	0	0	0	0	112.9	H702 N704 I705 D751 L752 Y758 L759 L788	H702-A755 PolarHBondContact CE1-N 3.07Å; N704-A755 HydrophobicContact CB-CB 4.01Å; I705-A755 HydrophobicContact CG1-CB 4.02Å; D751-A755 PolarHBondContact O-N 2.85Å; L752-A755 PolarHBondContact O-N 3.38Å; A755-Y758 WeakPolarHBondContact O-CB 3.41Å; A755-Y758 PolarHBondContact O-N 3.42Å; A755-L759 WeakPolarHBondContact O-CG 3.43Å; A755-L759 PolarHBondContact O-N 3.47Å; A755-L759 VanDerWaalsContact O-N 3.13Å; A755-L788 HydrophobicContact CB-CB 4.47Å
756	L	98.4	Very high	96.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.6	-41.9	177.4	-67.6	179.8	0	0	0	111.6	L752 Y758 L759 H760 L769 L788 D826 M827 L830 A895	L752-L756 WeakPolarHBondContact O-CG 3.18Å; L752-L756 PolarHBondContact O-N 3.43Å; L756-Y758 VanDerWaalsContact C-N 3.3Å; L756-Y758 PolarHBondContact O-N 3.12Å; L756-L759 PolarHBondContact O-N 2.87Å; L756-L759 VanDerWaalsContact O-N 3.16Å; L756-H760 WeakPolarHBondContact O-CB 3.09Å; L756-H760 PolarHBondContact O-CD2 3.04Å; L756-H760 PolarHBondContact O-N 2.81Å; L756-L769 HydrophobicContact CD1-CD2 4.05Å; L756-L788 HydrophobicContact CD2-CD2 4.45Å; L756-D826 HydrophobicContact CD1-CB 4.04Å; L756-D826 HydrophobicContact CD2-CB 3.72Å; L756-M827 HydrophobicContact CB-SD 4.5Å; L756-M827 HydrophobicContact CD1-SD 3.85Å; L756-L830 HydrophobicContact CD1-CB 4.44Å; L756-L830 HydrophobicContact CD1-CD2 4.23Å; L756-A895 HydrophobicContact CB-CB 3.87Å
757	F	98	Very high	96.5	Very high	21 Å²	21	15.2 Å²	15.2	9%	0.092	9%	0.087	C	C	.	.	H	α-helix	trans	-58.9	-42.4	175.2	176.9	-115	0	0	0	111.8	A753 S754 L759 C761 A895 R896 L899 L927 K930 H931	A753-F757 WeakPolarHBondContact O-CB 3.47Å; A753-F757 PolarHBondContact O-N 3.47Å; S754-F757 PolarHBondContact O-N 2.85Å; F757-L759 PolarHBondContact O-N 3.21Å; F757-C761 WeakPolarHBondContact CE2-SG 3.42Å; F757-C761 WeakPolarHBondContact O-CB 3.42Å; F757-C761 PolarHBondContact O-N 2.72Å; F757-C761 PolarHBondContact O-SG 3.45Å; F757-A895 HydrophobicContact CB-CB 3.91Å; F757-R896 HydrophobicContact CD2-CB 3.8Å; F757-R896 HydrophobicContact CE2-CB 3.79Å; F757-R896 HydrophobicContact CE2-CG 4.13Å; F757-L899 HydrophobicContact CB-CD1 3.97Å; F757-L899 HydrophobicContact CD1-CD1 4.36Å; F757-L899 HydrophobicContact CG-CD1 4.22Å; F757-L927 HydrophobicContact CD1-CD2 4.44Å; F757-L927 HydrophobicContact CE1-CD2 4.01Å; F757-L927 HydrophobicContact CZ-CD2 4.42Å; F757-K930 HydrophobicContact CZ-CB 4.46Å; F757-H931 HydrophobicContact CE2-CB 3.98Å; F757-H931 AromaticContact CE2-CE1 3.57Å; F757-H931 HydrophobicContact CZ-CB 4.05Å
758	Y	96.9	Very high	96.4	Very high	23 Å²	23	14.9 Å²	14.9	9%	0.09	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-44	174.6	176.7	-84.9	0	0	0	112.9	H699 R701 H702 I705 S754 A755 L756 R762	H699-Y758 PolarHBondContact O-OH 3.16Å; R701-Y758 PolarHBondContact N-OH 3.27Å; R701-Y758 WeakPolarHBondContact O-CE2 3.29Å; R701-Y758 PolarHBondContact O-OH 3.46Å; H702-Y758 HydrophobicContact CB-CD1 4.08Å; H702-Y758 HydrophobicContact CB-CD2 4.02Å; H702-Y758 HydrophobicContact CB-CE1 4.31Å; H702-Y758 HydrophobicContact CB-CE2 4.21Å; H702-Y758 HydrophobicContact CB-CG 3.95Å; H702-Y758 AromaticContact CD2-CD2 3.53Å; H702-Y758 AromaticContact CD2-CG 3.71Å; H702-Y758 AromaticContact CG-CG 3.88Å; I705-Y758 HydrophobicContact CD1-CD1 3.85Å; I705-Y758 HydrophobicContact CD1-CE1 4.31Å; S754-Y758 PolarHBondContact O-N 2.9Å; A755-Y758 WeakPolarHBondContact O-CB 3.41Å; A755-Y758 PolarHBondContact O-N 3.42Å; L756-Y758 VanDerWaalsContact C-N 3.3Å; L756-Y758 PolarHBondContact O-N 3.12Å; Y758-R762 VanDerWaalsContact CE2-CZ 3.4Å; Y758-R762 VanDerWaalsContact CZ-CZ 3.4Å; Y758-R762 WeakPolarHBondContact O-CD 3.34Å; Y758-R762 PolarHBondContact O-NH1 3.22Å; Y758-R762 PolarHBondContact OH-NE 3.29Å
759	L	96.4	Very high	96.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-72.7	-46	179.8	-68.4	171.2	0	0	0	112.1	I705 A755 L756 F757 C761 R762 S763 I764 L788 F791	I705-L759 HydrophobicContact CD1-CD1 4.2Å; I705-L759 HydrophobicContact CD1-CD2 3.95Å; I705-L759 HydrophobicContact CD1-CG 3.96Å; A755-L759 WeakPolarHBondContact O-CG 3.43Å; A755-L759 PolarHBondContact O-N 3.47Å; A755-L759 VanDerWaalsContact O-N 3.13Å; L756-L759 PolarHBondContact O-N 2.87Å; L756-L759 VanDerWaalsContact O-N 3.16Å; F757-L759 PolarHBondContact O-N 3.21Å; L759-C761 VanDerWaalsContact C-N 3.32Å; L759-C761 PolarHBondContact O-N 3.44Å; L759-R762 CarbonylContact O-C 3.55Å; L759-R762 WeakPolarHBondContact O-CA 3.47Å; L759-R762 WeakPolarHBondContact O-CB 3.39Å; L759-R762 PolarHBondContact O-N 2.89Å; L759-S763 PolarHBondContact O-N 3.25Å; L759-I764 CarbonylContact C-O 3.6Å; L759-I764 HydrophobicContact CB-CB 4.15Å; L759-I764 HydrophobicContact CB-CG2 4.48Å; L759-I764 HydrophobicContact CD2-CB 4.16Å; L759-I764 HydrophobicContact CD2-CD1 4.13Å; L759-I764 HydrophobicContact CD2-CG2 3.99Å; L759-I764 PolarHBondContact O-N 2.73Å; L759-L788 HydrophobicContact CD1-CD2 3.98Å; L759-F791 HydrophobicContact CD1-CE1 3.77Å; L759-F791 HydrophobicContact CD1-CZ 4.07Å; L759-F791 HydrophobicContact CD2-CE1 3.81Å; L759-F791 HydrophobicContact CD2-CZ 4.45Å; L759-F791 HydrophobicContact CG-CE1 4.45Å
760	H	96.6	Very high	96.3	Very high	17 Å²	17	16.4 Å²	16.4	8%	0.079	9%	0.086	C	C	.	.	H	α-helix	trans	-65.5	-33.7	-178.5	-69	-170	0	0	0	111.7	L756 R762 S763 I764 L823 D826	L756-H760 WeakPolarHBondContact O-CB 3.09Å; L756-H760 PolarHBondContact O-CD2 3.04Å; L756-H760 PolarHBondContact O-N 2.81Å; H760-R762 PolarHBondContact O-N 3.5Å; H760-S763 PolarHBondContact O-N 2.91Å; H760-I764 PolarHBondContact CD2-O 3Å; H760-L823 HydrophobicContact CB-CD1 4.06Å; H760-L823 PolarHBondContact CE1-O 2.78Å; H760-L823 PolarHBondContact NE2-O 3.04Å; H760-D826 IonicContact CD2-OD2 2.74Å; H760-D826 IonicContact CE1-OD2 3.63Å; H760-D826 IonicContact NE2-OD2 3.47Å; H760-D826 PolarHBondContact NE2-OD2 3.31Å
761	C	94.1	Very high	96.1	Very high	9 Å²	9	14.6 Å²	14.6	6%	0.061	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.5	169.8	-71.3	0	0	0	0	114.1	F757 L759 H931 F934	F757-C761 WeakPolarHBondContact CE2-SG 3.42Å; F757-C761 WeakPolarHBondContact O-CB 3.42Å; F757-C761 PolarHBondContact O-N 2.72Å; F757-C761 PolarHBondContact O-SG 3.45Å; L759-C761 VanDerWaalsContact C-N 3.32Å; L759-C761 PolarHBondContact O-N 3.44Å; C761-H931 PolarHBondContact SG-CE1 2.87Å; C761-H931 PolarHBondContact SG-ND1 3.48Å; C761-F934 HydrophobicContact CB-CB 4.01Å; C761-F934 HydrophobicContact CB-CD2 3.88Å; C761-F934 HydrophobicContact CB-CG 4.02Å
762	R	92.7	Very high	95.9	Very high	54 Å²	54	17.7 Å²	17.7	20%	0.204	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	9.4	173	-68.1	158.6	178.2	64.1	12	112.2	Y758 L759 H760 I764	Y758-R762 VanDerWaalsContact CE2-CZ 3.4Å; Y758-R762 VanDerWaalsContact CZ-CZ 3.4Å; Y758-R762 WeakPolarHBondContact O-CD 3.34Å; Y758-R762 PolarHBondContact O-NH1 3.22Å; Y758-R762 PolarHBondContact OH-NE 3.29Å; L759-R762 CarbonylContact O-C 3.55Å; L759-R762 WeakPolarHBondContact O-CA 3.47Å; L759-R762 WeakPolarHBondContact O-CB 3.39Å; L759-R762 PolarHBondContact O-N 2.89Å; H760-R762 PolarHBondContact O-N 3.5Å; R762-I764 HydrophobicContact CB-CD1 3.84Å; R762-I764 HydrophobicContact CB-CG1 4.11Å; R762-I764 PolarHBondContact O-N 2.86Å
763	S	93.7	Very high	95.8	Very high	48 Å²	48	18.2 Å²	18.2	34%	0.336	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	26.5	-171.8	-51	0	0	0	0	114	L759 H760 V796 V797	L759-S763 PolarHBondContact O-N 3.25Å; H760-S763 PolarHBondContact O-N 2.91Å; S763-V796 CarbonylContact O-C 3.57Å; S763-V796 WeakPolarHBondContact O-CA 3.44Å; S763-V797 PolarHBondContact O-N 2.95Å
764	I	93.9	Very high	95.7	Very high	10 Å²	10	18.2 Å²	18.2	5%	0.051	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124	175.7	-60.5	161.8	0	0	0	109.1	I696 L759 H760 R762 A794 L795 V796	I696-I764 HydrophobicContact CD1-CG2 4.24Å; I696-I764 HydrophobicContact CG2-CD1 4.29Å; I696-I764 HydrophobicContact CG2-CG2 4.27Å; L759-I764 CarbonylContact C-O 3.6Å; L759-I764 HydrophobicContact CB-CB 4.15Å; L759-I764 HydrophobicContact CB-CG2 4.48Å; L759-I764 HydrophobicContact CD2-CB 4.16Å; L759-I764 HydrophobicContact CD2-CD1 4.13Å; L759-I764 HydrophobicContact CD2-CG2 3.99Å; L759-I764 PolarHBondContact O-N 2.73Å; H760-I764 PolarHBondContact CD2-O 3Å; R762-I764 HydrophobicContact CB-CD1 3.84Å; R762-I764 HydrophobicContact CB-CG1 4.11Å; R762-I764 PolarHBondContact O-N 2.86Å; I764-A794 HydrophobicContact CG2-CB 4.36Å; I764-L795 WeakPolarHBondContact CA-O 3.35Å; I764-V796 HydrophobicContact CG1-CG2 4.07Å
765	V	96.1	Very high	95.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	147.8	166.8	64.8	0	0	0	0	109.8	R767 A794 L795 V797 M801 G822 L823 V825 D826	V765-R767 HydrophobicContact CB-CG 4.15Å; V765-R767 HydrophobicContact CG1-CG 3.6Å; V765-R767 HydrophobicContact CG2-CG 3.52Å; V765-A794 CarbonylContact O-C 3.54Å; V765-A794 WeakPolarHBondContact O-CA 3.42Å; V765-A794 WeakPolarHBondContact O-CB 3.23Å; V765-L795 HydrophobicContact CG1-CB 4.19Å; V765-L795 WeakPolarHBondContact CG1-O 3.43Å; V765-L795 PolarHBondContact N-O 3.47Å; V765-L795 PolarHBondContact O-N 3.44Å; V765-V797 HydrophobicContact CB-CG2 3.83Å; V765-V797 HydrophobicContact CG1-CG2 3.68Å; V765-M801 HydrophobicContact CB-CE 4.44Å; V765-M801 HydrophobicContact CG1-CE 3.83Å; V765-M801 HydrophobicContact CG1-SD 3.86Å; V765-G822 WeakPolarHBondContact CG2-O 3.38Å; V765-L823 HydrophobicContact CB-CD2 4.1Å; V765-V825 HydrophobicContact CG2-CG2 3.51Å; V765-D826 WeakPolarHBondContact CA-OD2 3.35Å; V765-D826 WeakPolarHBondContact CG2-OD2 3.39Å
766	H	95.5	Very high	95.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.			trans	-88.9	-45.4	175.8	-162.1	-100.6	0	0	0	113.2	D768 A789 F791 L793 A794 D826	H766-D768 PolarHBondContact ND1-O 3.12Å; H766-D768 PolarHBondContact O-N 2.88Å; H766-A789 PolarHBondContact CE1-O 3.06Å; H766-A789 PolarHBondContact NE2-O 3.15Å; H766-F791 AromaticContact CD2-CD1 3.82Å; H766-F791 AromaticContact CD2-CE1 3.71Å; H766-F791 AromaticContact CD2-CZ 3.95Å; H766-F791 AromaticContact NE2-CD2 3.92Å; H766-F791 AromaticContact NE2-CE2 3.98Å; H766-F791 AromaticContact NE2-CG 3.98Å; H766-L793 CarbonylContact O-C 3.52Å; H766-A794 PolarHBondContact O-N 3.46Å; H766-D826 WeakPolarHBondContact CB-OD1 3.42Å; H766-D826 PolarHBondContact N-OD1 3.48Å; H766-D826 VanDerWaalsContact N-OD1 3.15Å; H766-D826 PolarHBondContact N-OD2 2.97Å
767	R	93.4	Very high	95.2	Very high	36 Å²	36	21.2 Å²	21.2	14%	0.136	10%	0.104	C	C	.	.	S	Bend	trans	63.1	-12.3	179.6	-52.4	-170.7	-64.8	175	-5.1	117.6	V765 L793 Y821 V825 D826	V765-R767 HydrophobicContact CB-CG 4.15Å; V765-R767 HydrophobicContact CG1-CG 3.6Å; V765-R767 HydrophobicContact CG2-CG 3.52Å; R767-L793 HydrophobicContact CB-CB 4.4Å; R767-L793 PolarHBondContact NE-O 3.33Å; R767-L793 PolarHBondContact NH2-O 3.22Å; R767-Y821 WeakPolarHBondContact CD-OH 3.42Å; R767-Y821 HydrophobicContact CG-CE2 4.32Å; R767-Y821 PolarHBondContact NH1-OH 2.95Å; R767-V825 HydrophobicContact CG-CG2 4.39Å; R767-D826 PolarHBondContact N-OD1 3.3Å
768	D	94.1	Very high	94.9	Very high	17 Å²	17	26.5 Å²	26.5	9%	0.091	12%	0.123	C	C	.	.			trans	-126	45.5	174.1	-159.7	32.7	0	0	0	111.7	H766 K770 N773 L793	H766-D768 PolarHBondContact ND1-O 3.12Å; H766-D768 PolarHBondContact O-N 2.88Å; D768-K770 VanDerWaalsContact CG-NZ 3.33Å; D768-K770 PolarHBondContact O-N 2.32Å; D768-K770 IonicContact OD1-NZ 2.67Å; D768-K770 PolarHBondContact OD1-NZ 3.15Å; D768-K770 IonicContact OD2-NZ 3.24Å; D768-K770 PolarHBondContact OD2-NZ 2.83Å; D768-N773 PolarHBondContact O-ND2 3.16Å; D768-N773 PolarHBondContact OD2-ND2 3.46Å; D768-L793 HydrophobicContact CB-CB 4.25Å; D768-L793 HydrophobicContact CB-CD1 4.1Å; D768-L793 HydrophobicContact CB-CG 4.44Å
769	L	96.6	Very high	94.5	Very high	4 Å²	4	29 Å²	29	2%	0.021	14%	0.136	C	C	.	.			trans	-77.2	113	174.9	-173.1	69.9	0	0	0	109.5	L756 I774 L788 D826 A829 L830 I833	L756-L769 HydrophobicContact CD1-CD2 4.05Å; L769-I774 HydrophobicContact CD1-CD1 4.04Å; L769-I774 HydrophobicContact CD1-CG1 4.29Å; L769-L788 HydrophobicContact CD1-CD1 3.49Å; L769-L788 VanDerWaalsContact CD1-CD1 3.49Å; L769-L788 HydrophobicContact CD1-CD2 4.45Å; L769-D826 WeakPolarHBondContact CD2-O 3.33Å; L769-A829 HydrophobicContact CB-CB 3.9Å; L769-A829 HydrophobicContact CD2-CB 4.07Å; L769-A829 HydrophobicContact CG-CB 4.33Å; L769-L830 HydrophobicContact CD2-CB 4.11Å; L769-I833 HydrophobicContact CD2-CD1 4.26Å; L769-I833 HydrophobicContact CG-CD1 3.81Å
770	K	95	Very high	94.2	Very high	28 Å²	28	39.9 Å²	39.9	12%	0.122	18%	0.183	C	C	.	.			trans	-154.5	156.8	-178.7	66	-173.5	-171.1	-123.9	0	109.9	D768 E772 N773 I774 Y810	D768-K770 VanDerWaalsContact CG-NZ 3.33Å; D768-K770 PolarHBondContact O-N 2.32Å; D768-K770 IonicContact OD1-NZ 2.67Å; D768-K770 PolarHBondContact OD1-NZ 3.15Å; D768-K770 IonicContact OD2-NZ 3.24Å; D768-K770 PolarHBondContact OD2-NZ 2.83Å; K770-E772 WeakPolarHBondContact CB-OE2 3.34Å; K770-E772 HydrophobicContact CD-CB 4.38Å; K770-E772 HydrophobicContact CG-CB 4.24Å; K770-E772 WeakPolarHBondContact CG-OE2 3.32Å; K770-E772 PolarHBondContact O-N 3.02Å; K770-N773 VanDerWaalsContact CE-OD1 3.27Å; K770-N773 WeakPolarHBondContact CE-OD1 3.35Å; K770-N773 HydrophobicContact CG-CB 4.03Å; K770-N773 PolarHBondContact NZ-ND2 3.13Å; K770-N773 PolarHBondContact NZ-OD1 2.9Å; K770-N773 PolarHBondContact O-N 3.33Å; K770-I774 WeakPolarHBondContact O-CG1 3.41Å; K770-Y810 HydrophobicContact CB-CD2 3.77Å; K770-Y810 HydrophobicContact CB-CE2 3.68Å; K770-Y810 HydrophobicContact CB-CG 4.35Å
771	P	95.2	Very high	93.9	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-53.9	-35.9	-178.7	-28.2	37.3	0	0	0	114.7	L730 F731 I734 N773 I774 Y810 I833	L730-P771 HydrophobicContact CB-CB 4.01Å; L730-P771 WeakPolarHBondContact CB-O 3.47Å; L730-P771 HydrophobicContact CD2-CB 4.35Å; L730-P771 HydrophobicContact CG-CB 4.11Å; L730-P771 PolarHBondContact N-O 2.77Å; F731-P771 HydrophobicContact CB-CB 3.96Å; I734-P771 HydrophobicContact CD1-CB 4.26Å; I734-P771 HydrophobicContact CD1-CG 4.19Å; P771-N773 PolarHBondContact O-N 3.37Å; P771-I774 PolarHBondContact O-N 3.48Å; P771-I774 VanDerWaalsContact O-N 3.1Å; P771-Y810 WeakPolarHBondContact CD-OH 3.35Å; P771-Y810 HydrophobicContact CG-CE1 4.32Å; P771-I833 HydrophobicContact CG-CG1 4.27Å
772	E	93.4	Very high	93.4	Very high	69 Å²	69	46.1 Å²	46.1	32%	0.322	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-62.7	-24	176.9	-49.4	94.1	111.6	0	0	113	F731 K770	F731-E772 HydrophobicContact CB-CG 4.09Å; F731-E772 HydrophobicContact CD2-CG 4.45Å; F731-E772 HydrophobicContact CG-CG 4.36Å; K770-E772 WeakPolarHBondContact CB-OE2 3.34Å; K770-E772 HydrophobicContact CD-CB 4.38Å; K770-E772 HydrophobicContact CG-CB 4.24Å; K770-E772 WeakPolarHBondContact CG-OE2 3.32Å; K770-E772 PolarHBondContact O-N 3.02Å
773	N	95.7	Very high	93.2	Very high	13 Å²	13	48 Å²	48	7%	0.07	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-98.4	9.9	178.8	-72.3	0.2	0	0	0	112.5	D768 K770 P771 A789	D768-N773 PolarHBondContact O-ND2 3.16Å; D768-N773 PolarHBondContact OD2-ND2 3.46Å; K770-N773 VanDerWaalsContact CE-OD1 3.27Å; K770-N773 WeakPolarHBondContact CE-OD1 3.35Å; K770-N773 HydrophobicContact CG-CB 4.03Å; K770-N773 PolarHBondContact NZ-ND2 3.13Å; K770-N773 PolarHBondContact NZ-OD1 2.9Å; K770-N773 PolarHBondContact O-N 3.33Å; P771-N773 PolarHBondContact O-N 3.37Å; N773-A789 PolarHBondContact O-N 3.06Å
774	I	97.4	Very high	93.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	104.8	-177.1	-63.3	164	0	0	0	108.6	D729 L730 L752 L769 K770 P771 V786 L788 I833	D729-I774 CarbonylContact C-O 3.5Å; D729-I774 VanDerWaalsContact CA-O 3.31Å; D729-I774 WeakPolarHBondContact CA-O 3.14Å; L730-I774 HydrophobicContact CB-CB 3.94Å; L730-I774 HydrophobicContact CB-CG2 3.99Å; L730-I774 HydrophobicContact CD2-CB 4.2Å; L730-I774 HydrophobicContact CD2-CD1 3.94Å; L730-I774 HydrophobicContact CD2-CG2 3.97Å; L730-I774 PolarHBondContact N-O 3.16Å; L752-I774 HydrophobicContact CD1-CD1 3.81Å; L752-I774 HydrophobicContact CD2-CD1 3.85Å; L752-I774 HydrophobicContact CD2-CG1 3.84Å; L752-I774 HydrophobicContact CD2-CG2 3.91Å; L769-I774 HydrophobicContact CD1-CD1 4.04Å; L769-I774 HydrophobicContact CD1-CG1 4.29Å; K770-I774 WeakPolarHBondContact O-CG1 3.41Å; P771-I774 PolarHBondContact O-N 3.48Å; P771-I774 VanDerWaalsContact O-N 3.1Å; I774-V786 HydrophobicContact CG2-CB 3.75Å; I774-V786 HydrophobicContact CG2-CG1 3.99Å; I774-V786 HydrophobicContact CG2-CG2 4Å; I774-L788 HydrophobicContact CG1-CD1 4.43Å; I774-I833 HydrophobicContact CD1-CD1 3.86Å; I774-I833 HydrophobicContact CD1-CG2 4.49Å
775	L	97	Very high	93.2	Very high	38 Å²	38	49.9 Å²	49.9	20%	0.199	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.6	-173.3	-52.9	-176.4	0	0	0	111.5	V706 I725 D729 V786 K787 A789	V706-L775 HydrophobicContact CG2-CD1 3.84Å; I725-L775 HydrophobicContact CB-CB 3.79Å; I725-L775 HydrophobicContact CB-CD1 3.85Å; I725-L775 HydrophobicContact CB-CG 4.46Å; I725-L775 HydrophobicContact CG1-CB 3.96Å; I725-L775 HydrophobicContact CG1-CD1 3.69Å; I725-L775 HydrophobicContact CG1-CG 4.49Å; I725-L775 HydrophobicContact CG2-CB 3.69Å; D729-L775 HydrophobicContact CB-CD2 3.92Å; L775-V786 CarbonylContact O-C 3.58Å; L775-V786 VanDerWaalsContact O-CA 3.26Å; L775-V786 WeakPolarHBondContact O-CA 3.4Å; L775-K787 PolarHBondContact N-O 2.81Å; L775-K787 PolarHBondContact O-N 3.48Å; L775-A789 HydrophobicContact CD1-CB 3.98Å; L775-A789 HydrophobicContact CG-CB 4.02Å
776	L	95.5	Very high	93.2	Very high	6 Å²	6	50 Å²	50	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.8	-175.2	-56.2	-174.8	0	0	0	112.3	I725 D727 G728 D729 L730 I784 V786	I725-L776 WeakPolarHBondContact CG2-O 3.36Å; D727-L776 HydrophobicContact CB-CB 4.34Å; D727-L776 WeakPolarHBondContact CB-O 3.22Å; G728-L776 PolarHBondContact O-N 3.27Å; D729-L776 WeakPolarHBondContact O-CD1 3.49Å; L730-L776 HydrophobicContact CB-CD2 4.11Å; L730-L776 HydrophobicContact CD1-CD2 3.99Å; L776-I784 HydrophobicContact CD2-CG2 4.24Å; L776-V786 HydrophobicContact CD2-CG1 3.63Å
777	L	93.1	Very high	93.3	Very high	52 Å²	52	50.8 Å²	50.8	27%	0.272	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	103.4	174.7	-77.2	165.4	0	0	0	109.1	I725 Q779 R785 K787	I725-L777 HydrophobicContact CD1-CD2 4.22Å; I725-L777 HydrophobicContact CG2-CD2 3.96Å; I725-L777 HydrophobicContact CG2-CG 4.05Å; L777-Q779 PolarHBondContact O-N 3.4Å; L777-R785 HydrophobicContact CB-CB 4.08Å; L777-R785 WeakPolarHBondContact CB-O 3.49Å; L777-R785 PolarHBondContact N-O 2.87Å; L777-R785 PolarHBondContact O-N 2.9Å; L777-K787 HydrophobicContact CD1-CD 3.81Å; L777-K787 HydrophobicContact CD1-CG 3.99Å
778	R	90.6	Very high	93.6	Very high	132 Å²	132	49.1 Å²	49.1	50%	0.498	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	108	175.2	-165.9	174.4	-59.7	-77.6	-0	110	D727	D727-R778 HydrophobicContact CB-CB 4.43Å; D727-R778 PolarHBondContact OD2-N 3.38Å
779	Q	89.3	Confident	93.6	Very high	75 Å²	75	48.9 Å²	48.9	35%	0.35	24%	0.236	S	C	.	.			trans	-70.6	160.8	176.1	-68.7	-169.2	-1.6	0	0	111.9	L777 N781 G782 Q783 R785	L777-Q779 PolarHBondContact O-N 3.4Å; Q779-N781 WeakPolarHBondContact CB-OD1 3.29Å; Q779-N781 PolarHBondContact O-N 3.19Å; Q779-N781 PolarHBondContact OE1-ND2 3.18Å; Q779-N781 PolarHBondContact OE1-OD1 2.97Å; Q779-G782 PolarHBondContact O-N 3.41Å; Q779-Q783 HydrophobicContact CB-CB 4.35Å; Q779-Q783 WeakPolarHBondContact CB-O 3.36Å; Q779-Q783 PolarHBondContact N-O 3.44Å; Q779-R785 HydrophobicContact CG-CG 4.35Å
780	K	89.4	Confident	93.3	Very high	228 Å²	228	51.3 Å²	51.3	99%	0.991	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.6	179.6	-66.5	-176.5	179.5	178.9	0	113.8	G782	K780-G782 VanDerWaalsContact C-N 3.27Å
781	N	89.3	Confident	93.1	Very high	113 Å²	113	50 Å²	50	60%	0.604	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	4.2	174.9	61.3	7.7	0	0	0	113.4	Q779 Q783	Q779-N781 WeakPolarHBondContact CB-OD1 3.29Å; Q779-N781 PolarHBondContact O-N 3.19Å; Q779-N781 PolarHBondContact OE1-ND2 3.18Å; Q779-N781 PolarHBondContact OE1-OD1 2.97Å; N781-Q783 VanDerWaalsContact C-N 3.31Å; N781-Q783 PolarHBondContact O-N 3.11Å; N781-Q783 VanDerWaalsContact OD1-CB 3.23Å; N781-Q783 WeakPolarHBondContact OD1-CB 3.43Å; N781-Q783 PolarHBondContact OD1-N 3.21Å
782	G	84.6	Confident	92.6	Very high	44 Å²	44	50.8 Å²	50.8	45%	0.454	25%	0.252	S	S	.	.	S	Bend	trans	85.4	-12.8	-176.5	0	0	0	0	0	115.5	Q779 K780 I784	Q779-G782 PolarHBondContact O-N 3.41Å; K780-G782 VanDerWaalsContact C-N 3.27Å; G782-I784 PolarHBondContact O-N 3.21Å
783	Q	88.5	Confident	92.1	Very high	94 Å²	94	49.5 Å²	49.5	44%	0.439	25%	0.248	S	C	.	.			trans	-60.5	133.4	178.7	-175.5	176.6	75.9	0	0	110.7	Q779 N781 R785	Q779-Q783 HydrophobicContact CB-CB 4.35Å; Q779-Q783 WeakPolarHBondContact CB-O 3.36Å; Q779-Q783 PolarHBondContact N-O 3.44Å; N781-Q783 VanDerWaalsContact C-N 3.31Å; N781-Q783 PolarHBondContact O-N 3.11Å; N781-Q783 VanDerWaalsContact OD1-CB 3.23Å; N781-Q783 WeakPolarHBondContact OD1-CB 3.43Å; N781-Q783 PolarHBondContact OD1-N 3.21Å; Q783-R785 HydrophobicContact CG-CG 4.42Å
784	I	92	Very high	91.8	Very high	18 Å²	18	49 Å²	49	9%	0.092	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.2	169.5	-56.6	-179.5	0	0	0	108	F740 I744 I748 L776 G782	F740-I784 HydrophobicContact CE1-CD1 4.17Å; I744-I784 HydrophobicContact CG2-CD1 3.96Å; I748-I784 HydrophobicContact CD1-CG2 4.43Å; I748-I784 HydrophobicContact CG1-CG2 4.37Å; L776-I784 HydrophobicContact CD2-CG2 4.24Å; G782-I784 PolarHBondContact O-N 3.21Å
785	R	94.7	Very high	91.4	Very high	80 Å²	80	51.7 Å²	51.7	30%	0.302	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	165.2	165.7	-59.6	-60.5	-65.2	-87.4	1.3	108.8	D751 L777 Q779 Q783	D751-R785 VanDerWaalsContact CG-NE 3.28Å; D751-R785 IonicContact OD1-CZ 3.21Å; D751-R785 IonicContact OD1-NE 2.9Å; D751-R785 PolarHBondContact OD1-NE 2.85Å; D751-R785 IonicContact OD1-NH2 2.89Å; D751-R785 PolarHBondContact OD1-NH2 3.48Å; D751-R785 WeakPolarHBondContact OD2-CA 3.16Å; D751-R785 WeakPolarHBondContact OD2-CB 3.25Å; D751-R785 WeakPolarHBondContact OD2-CD 3.42Å; D751-R785 IonicContact OD2-CZ 3.82Å; D751-R785 IonicContact OD2-NE 4Å; D751-R785 PolarHBondContact OD2-NE 2.87Å; D751-R785 IonicContact OD2-NH2 3.45Å; L777-R785 HydrophobicContact CB-CB 4.08Å; L777-R785 WeakPolarHBondContact CB-O 3.49Å; L777-R785 PolarHBondContact N-O 2.87Å; L777-R785 PolarHBondContact O-N 2.9Å; Q779-R785 HydrophobicContact CG-CG 4.35Å; Q783-R785 HydrophobicContact CG-CG 4.42Å
786	V	97.4	Very high	90.9	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	158	177.9	-57	0	0	0	0	114.8	N704 I748 D751 L752 I774 L775 L776	N704-V786 WeakPolarHBondContact CA-O 3.33Å; N704-V786 WeakPolarHBondContact CB-O 3.33Å; N704-V786 PolarHBondContact ND2-O 2.72Å; I748-V786 HydrophobicContact CB-CG1 4.5Å; I748-V786 HydrophobicContact CG1-CG1 4.05Å; I748-V786 HydrophobicContact CG2-CG1 4.04Å; I748-V786 HydrophobicContact CG2-CG2 4.17Å; D751-V786 HydrophobicContact CB-CG2 3.53Å; D751-V786 PolarHBondContact OD2-N 3.09Å; L752-V786 HydrophobicContact CD2-CG2 3.97Å; L752-V786 HydrophobicContact CG-CG2 3.91Å; I774-V786 HydrophobicContact CG2-CB 3.75Å; I774-V786 HydrophobicContact CG2-CG1 3.99Å; I774-V786 HydrophobicContact CG2-CG2 4Å; L775-V786 CarbonylContact O-C 3.58Å; L775-V786 VanDerWaalsContact O-CA 3.26Å; L775-V786 WeakPolarHBondContact O-CA 3.4Å; L776-V786 HydrophobicContact CD2-CG1 3.63Å
787	K	98	Very high	90.5	Very high	17 Å²	17	53.1 Å²	53.1	7%	0.074	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	133	171.3	-81.9	170.2	175.1	-90.3	0	111.5	P703 N704 I705 V706 E723 I725 L775 L777	P703-K787 WeakPolarHBondContact O-CE 3.43Å; P703-K787 VanDerWaalsContact O-CG 3.31Å; P703-K787 WeakPolarHBondContact O-CG 3.48Å; P703-K787 PolarHBondContact O-NZ 3.45Å; N704-K787 WeakPolarHBondContact O-CA 3.39Å; I705-K787 PolarHBondContact O-NZ 3.21Å; V706-K787 HydrophobicContact CG2-CB 3.94Å; E723-K787 WeakPolarHBondContact OE1-CE 3.22Å; E723-K787 IonicContact OE1-NZ 2.64Å; E723-K787 PolarHBondContact OE1-NZ 2.61Å; E723-K787 WeakPolarHBondContact OE2-CE 3.41Å; E723-K787 IonicContact OE2-NZ 3.77Å; E723-K787 PolarHBondContact OE2-NZ 3.02Å; I725-K787 HydrophobicContact CD1-CD 3.54Å; I725-K787 HydrophobicContact CG1-CD 4.25Å; L775-K787 PolarHBondContact N-O 2.81Å; L775-K787 PolarHBondContact O-N 3.48Å; L777-K787 HydrophobicContact CD1-CD 3.81Å; L777-K787 HydrophobicContact CD1-CG 3.99Å
788	L	98	Very high	89.9	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.1	171.6	-176.7	57.6	0	0	0	111.1	N704 V706 A755 L756 L759 L769 I774 F791	N704-L788 PolarHBondContact O-N 2.99Å; V706-L788 PolarHBondContact N-O 2.67Å; A755-L788 HydrophobicContact CB-CB 4.47Å; L756-L788 HydrophobicContact CD2-CD2 4.45Å; L759-L788 HydrophobicContact CD1-CD2 3.98Å; L769-L788 HydrophobicContact CD1-CD1 3.49Å; L769-L788 VanDerWaalsContact CD1-CD1 3.49Å; L769-L788 HydrophobicContact CD1-CD2 4.45Å; I774-L788 HydrophobicContact CG1-CD1 4.43Å; L788-F791 HydrophobicContact CD2-CZ 4.2Å; L788-F791 HydrophobicContact CG-CE2 4.32Å; L788-F791 HydrophobicContact CG-CZ 4.23Å
789	A	94.9	Very high	89.4	Confident	12 Å²	12	57.6 Å²	57.6	10%	0.099	29%	0.29	C	S	.	.			trans	-131.3	171.7	-176.1	0	0	0	0	0	112.6	V706 H766 N773 L775	V706-A789 HydrophobicContact CB-CB 4.4Å; V706-A789 HydrophobicContact CG2-CB 3.74Å; H766-A789 PolarHBondContact CE1-O 3.06Å; H766-A789 PolarHBondContact NE2-O 3.15Å; N773-A789 PolarHBondContact O-N 3.06Å; L775-A789 HydrophobicContact CD1-CB 3.98Å; L775-A789 HydrophobicContact CG-CB 4.02Å
790	D	90.5	Very high	88.8	Confident	55 Å²	55	57.3 Å²	57.3	29%	0.294	30%	0.297	S	S	.	.			trans	54.3	76.8	178.3	-158	28.9	0	0	0	116.5	K676 G792	K676-D790 IonicContact NZ-OD1 3.33Å; K676-D790 PolarHBondContact NZ-OD1 2.86Å; D790-G792 PolarHBondContact O-N 3.45Å; D790-G792 VanDerWaalsContact O-N 3.11Å
791	F	90.8	Very high	88.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-79.5	16.4	-179.5	-75.9	-106.3	0	0	0	113.5	E693 I696 L697 I705 L759 H766 L788 L793 A794	E693-F791 HydrophobicContact CG-CB 4.04Å; I696-F791 HydrophobicContact CG2-CD1 3.69Å; I696-F791 HydrophobicContact CG2-CE1 4.27Å; I696-F791 HydrophobicContact CG2-CG 4.46Å; L697-F791 HydrophobicContact CD2-CB 4.24Å; L697-F791 HydrophobicContact CD2-CD2 3.65Å; L697-F791 HydrophobicContact CD2-CE2 4.24Å; L697-F791 HydrophobicContact CD2-CG 3.97Å; L697-F791 HydrophobicContact CG-CB 4.29Å; I705-F791 HydrophobicContact CD1-CZ 4.24Å; I705-F791 HydrophobicContact CG1-CZ 4.37Å; I705-F791 HydrophobicContact CG2-CE2 3.71Å; I705-F791 HydrophobicContact CG2-CZ 3.65Å; L759-F791 HydrophobicContact CD1-CE1 3.77Å; L759-F791 HydrophobicContact CD1-CZ 4.07Å; L759-F791 HydrophobicContact CD2-CE1 3.81Å; L759-F791 HydrophobicContact CD2-CZ 4.45Å; L759-F791 HydrophobicContact CG-CE1 4.45Å; H766-F791 AromaticContact CD2-CD1 3.82Å; H766-F791 AromaticContact CD2-CE1 3.71Å; H766-F791 AromaticContact CD2-CZ 3.95Å; H766-F791 AromaticContact NE2-CD2 3.92Å; H766-F791 AromaticContact NE2-CE2 3.98Å; H766-F791 AromaticContact NE2-CG 3.98Å; L788-F791 HydrophobicContact CD2-CZ 4.2Å; L788-F791 HydrophobicContact CG-CE2 4.32Å; L788-F791 HydrophobicContact CG-CZ 4.23Å; F791-L793 PolarHBondContact O-N 2.84Å; F791-L793 VanDerWaalsContact O-N 3.1Å; F791-A794 HydrophobicContact CB-CB 3.99Å; F791-A794 HydrophobicContact CD1-CB 3.69Å; F791-A794 HydrophobicContact CG-CB 4.28Å; F791-A794 WeakPolarHBondContact O-CB 3.14Å; F791-A794 PolarHBondContact O-N 3.19Å
792	G	84.8	Confident	88.2	Confident	19 Å²	19	48.6 Å²	48.6	20%	0.196	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-62.8	-16.9	-174.9	0	0	0	0	0	115.6	D790	D790-G792 PolarHBondContact O-N 3.45Å; D790-G792 VanDerWaalsContact O-N 3.11Å
793	L	82.8	Confident	88	Confident	42 Å²	42	50.8 Å²	50.8	22%	0.22	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-110.5	-0.8	169.7	-65.8	-170.3	0	0	0	114.1	M689 H766 R767 D768 F791 C805	M689-L793 HydrophobicContact CE-CD2 3.63Å; H766-L793 CarbonylContact O-C 3.52Å; R767-L793 HydrophobicContact CB-CB 4.4Å; R767-L793 PolarHBondContact NE-O 3.33Å; R767-L793 PolarHBondContact NH2-O 3.22Å; D768-L793 HydrophobicContact CB-CB 4.25Å; D768-L793 HydrophobicContact CB-CD1 4.1Å; D768-L793 HydrophobicContact CB-CG 4.44Å; F791-L793 PolarHBondContact O-N 2.84Å; F791-L793 VanDerWaalsContact O-N 3.1Å; L793-C805 HydrophobicContact CD1-CB 4.12Å
794	A	89	Confident	87.6	Confident	1 Å²	1	49 Å²	49	1%	0.008	25%	0.251	C	S	.	.			trans	-66.2	151.7	-177.7	0	0	0	0	0	112.2	N692 I696 I764 V765 H766 F791	N692-A794 PolarHBondContact ND2-O 2.93Å; I696-A794 HydrophobicContact CD1-CB 3.85Å; I764-A794 HydrophobicContact CG2-CB 4.36Å; V765-A794 CarbonylContact O-C 3.54Å; V765-A794 WeakPolarHBondContact O-CA 3.42Å; V765-A794 WeakPolarHBondContact O-CB 3.23Å; H766-A794 PolarHBondContact O-N 3.46Å; F791-A794 HydrophobicContact CB-CB 3.99Å; F791-A794 HydrophobicContact CD1-CB 3.69Å; F791-A794 HydrophobicContact CG-CB 4.28Å; F791-A794 WeakPolarHBondContact O-CB 3.14Å; F791-A794 PolarHBondContact O-N 3.19Å
795	L	88.6	Confident	87.1	Confident	57 Å²	57	49 Å²	49	30%	0.298	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	146.8	-178	-172.8	61	0	0	0	112.5	I764 V765 V797 M801	I764-L795 WeakPolarHBondContact CA-O 3.35Å; V765-L795 HydrophobicContact CG1-CB 4.19Å; V765-L795 WeakPolarHBondContact CG1-O 3.43Å; V765-L795 PolarHBondContact N-O 3.47Å; V765-L795 PolarHBondContact O-N 3.44Å; L795-V797 PolarHBondContact O-N 3.16Å; L795-M801 HydrophobicContact CD2-SD 4.01Å
796	V	88.2	Confident	86.3	Confident	47 Å²	47	45.9 Å²	45.9	29%	0.285	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	109.3	168.4	-176	0	0	0	0	109.9	S763 I764 K798	S763-V796 CarbonylContact O-C 3.57Å; S763-V796 WeakPolarHBondContact O-CA 3.44Å; I764-V796 HydrophobicContact CG1-CG2 4.07Å; V796-K798 HydrophobicContact CG1-CG 4.3Å; V796-K798 PolarHBondContact O-N 3.34Å
797	V	85.6	Confident	85.8	Confident	27 Å²	27	47.8 Å²	47.8	16%	0.164	26%	0.257	C	S	.	.			trans	-69.8	120.8	177	-171.6	0	0	0	0	110	S763 V765 L795 M801 L823	S763-V797 PolarHBondContact O-N 2.95Å; V765-V797 HydrophobicContact CB-CG2 3.83Å; V765-V797 HydrophobicContact CG1-CG2 3.68Å; L795-V797 PolarHBondContact O-N 3.16Å; V797-M801 HydrophobicContact CB-CE 4.3Å; V797-M801 HydrophobicContact CG1-CE 3.97Å; V797-M801 HydrophobicContact CG2-CE 3.43Å; V797-M801 VanDerWaalsContact CG2-CE 3.43Å; V797-M801 HydrophobicContact CG2-SD 4.07Å; V797-L823 HydrophobicContact CB-CD2 4.35Å; V797-L823 HydrophobicContact CG2-CD2 3.69Å; V797-L823 HydrophobicContact CG2-CG 4.35Å
798	K	80.4	Confident	85.3	Confident	144 Å²	144	48.4 Å²	48.4	63%	0.626	26%	0.263	S	S	*	.	S	Bend	trans	-124.6	-30.7	178.4	-65.1	178.3	-177.6	174.8	0	113.4	V796	V796-K798 HydrophobicContact CG1-CG 4.3Å; V796-K798 PolarHBondContact O-N 3.34Å
799	K	79.7	Confident	85.1	Confident	134 Å²	134	50.7 Å²	50.7	58%	0.583	28%	0.277	S	S	*	.	S	Bend	trans	-143.2	165.4	168.7	-60.3	-169.5	-176.5	-175.4	0	106.4	D601	D601-K799 IonicContact OD1-NZ 3.84Å; D601-K799 PolarHBondContact OD1-NZ 2.82Å; D601-K799 IonicContact OD2-NZ 3.88Å; D601-K799 PolarHBondContact OD2-NZ 2.93Å
800	S	78.5	Confident	85.1	Confident	70 Å²	70	51.3 Å²	51.3	49%	0.49	28%	0.276	S	S	.	.			trans	-54.2	140.7	-179.6	-50.4	0	0	0	0	112.4	Y802	S800-Y802 WeakPolarHBondContact O-CD2 3.21Å; S800-Y802 VanDerWaalsContact O-CE2 3.28Å; S800-Y802 WeakPolarHBondContact O-CE2 3.29Å
801	M	82.6	Confident	85.2	Confident	16 Å²	16	49.1 Å²	49.1	8%	0.079	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-98.6	146.9	-179.2	-64.4	165.4	-72.9	0	0	111	V765 L795 V797 G820 Y821 G822	V765-M801 HydrophobicContact CB-CE 4.44Å; V765-M801 HydrophobicContact CG1-CE 3.83Å; V765-M801 HydrophobicContact CG1-SD 3.86Å; L795-M801 HydrophobicContact CD2-SD 4.01Å; V797-M801 HydrophobicContact CB-CE 4.3Å; V797-M801 HydrophobicContact CG1-CE 3.97Å; V797-M801 HydrophobicContact CG2-CE 3.43Å; V797-M801 VanDerWaalsContact CG2-CE 3.43Å; V797-M801 HydrophobicContact CG2-SD 4.07Å; M801-G820 CarbonylContact O-C 3.59Å; M801-G820 WeakPolarHBondContact O-CA 3.43Å; M801-Y821 HydrophobicContact CB-CD1 4.22Å; M801-Y821 HydrophobicContact CB-CD2 4.02Å; M801-Y821 HydrophobicContact CB-CE1 3.88Å; M801-Y821 HydrophobicContact CB-CE2 3.64Å; M801-Y821 HydrophobicContact CB-CG 4.29Å; M801-Y821 HydrophobicContact CE-CD2 3.61Å; M801-Y821 HydrophobicContact CE-CE2 3.56Å; M801-Y821 WeakPolarHBondContact CE-O 3.34Å; M801-Y821 HydrophobicContact CG-CE2 4.38Å; M801-Y821 PolarHBondContact N-O 2.97Å; M801-Y821 WeakPolarHBondContact O-CD1 3.42Å; M801-Y821 WeakPolarHBondContact O-CE1 3.32Å; M801-Y821 PolarHBondContact O-N 3.37Å; M801-Y821 HydrophobicContact SD-CD2 4.49Å; M801-Y821 HydrophobicContact SD-CE2 3.88Å; M801-G822 VanDerWaalsContact CE-O 3.31Å; M801-G822 WeakPolarHBondContact CE-O 3.27Å
802	Y	83.7	Confident	85.5	Confident	142 Å²	142	49.1 Å²	49.1	56%	0.557	27%	0.265	S	S	*	.			trans	-126.2	0.6	-177.5	-60.8	-88	0	0	0	113.3	S800 V804	S800-Y802 WeakPolarHBondContact O-CD2 3.21Å; S800-Y802 VanDerWaalsContact O-CE2 3.28Å; S800-Y802 WeakPolarHBondContact O-CE2 3.29Å; Y802-V804 PolarHBondContact O-N 3.43Å
803	T	79.3	Confident	86	Confident	90 Å²	90	48.2 Å²	48.2	55%	0.552	26%	0.256	S	S	*	.			trans	-75.5	114.2	179.7	-49	0	0	0	0	110.5	C805 Y821	T803-C805 PolarHBondContact O-N 2.84Å; T803-Y821 VanDerWaalsContact O-CE1 3.29Å; T803-Y821 WeakPolarHBondContact O-CE1 3.29Å; T803-Y821 PolarHBondContact O-OH 3.2Å
804	V	80	Confident	86.6	Confident	55 Å²	55	46.5 Å²	46.5	33%	0.333	25%	0.246	S	C	.	.			trans	-68	115.1	171.1	-178.2	0	0	0	0	109.5	Y802 I811 I815 E818	Y802-V804 PolarHBondContact O-N 3.43Å; V804-I811 HydrophobicContact CG1-CD1 4.23Å; V804-I815 HydrophobicContact CB-CG2 4.31Å; V804-I815 HydrophobicContact CG1-CG2 4.22Å; V804-I815 HydrophobicContact CG2-CG2 4.34Å; V804-E818 HydrophobicContact CG2-CG 4.14Å
805	C	82	Confident	86.7	Confident	18 Å²	18	46.7 Å²	46.7	12%	0.122	25%	0.247	C	C	.	.			trans	-155.4	170.9	-179.6	63.5	0	0	0	0	111.7	L793 T803	L793-C805 HydrophobicContact CD1-CB 4.12Å; T803-C805 PolarHBondContact O-N 2.84Å
806	G	78.8	Confident	86.8	Confident	15 Å²	15	45.1 Å²	45.1	16%	0.155	24%	0.239	C	C	.	.	S	Bend	trans	96.4	170.5	-176.1	0	0	0	0	0	113.3
807	T	85	Confident	86.9	Confident	41 Å²	41	47.1 Å²	47.1	25%	0.252	25%	0.245	S	C	.	.			trans	-77.5	130	179.9	-72	0	0	0	0	111.6	T809 Y810 I811	T807-T809 PolarHBondContact O-N 2.96Å; T807-Y810 HydrophobicContact CG2-CD2 3.7Å; T807-Y810 HydrophobicContact CG2-CE2 3.86Å; T807-Y810 PolarHBondContact O-N 2.91Å; T807-I811 PolarHBondContact O-N 3.44Å
808	P	89.3	Confident	86.9	Confident	31 Å²	31	51 Å²	51	20%	0.201	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-24.6	-173.6	-34.5	38	0	0	0	118.2	I811 L854 F855 I858	P808-I811 WeakPolarHBondContact O-CG2 3.37Å; P808-L854 HydrophobicContact CB-CD2 4.23Å; P808-F855 HydrophobicContact CB-CE1 3.9Å; P808-F855 HydrophobicContact CB-CZ 4.23Å; P808-F855 HydrophobicContact CG-CZ 4.45Å; P808-I858 WeakPolarHBondContact O-CD1 3.4Å
809	T	91.9	Very high	87	Confident	48 Å²	48	46.7 Å²	46.7	29%	0.294	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-29.3	178.2	-46.3	0	0	0	0	113	T807 A842	T807-T809 PolarHBondContact O-N 2.96Å; T809-A842 HydrophobicContact CG2-CB 3.74Å
810	Y	95.5	Very high	87.3	Confident	25 Å²	25	41.4 Å²	41.4	10%	0.098	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-1.4	-172.2	-48.5	-81.7	0	0	0	112.7	K770 P771 T807 I832 I833 I836	K770-Y810 HydrophobicContact CB-CD2 3.77Å; K770-Y810 HydrophobicContact CB-CE2 3.68Å; K770-Y810 HydrophobicContact CB-CG 4.35Å; P771-Y810 WeakPolarHBondContact CD-OH 3.35Å; P771-Y810 HydrophobicContact CG-CE1 4.32Å; T807-Y810 HydrophobicContact CG2-CD2 3.7Å; T807-Y810 HydrophobicContact CG2-CE2 3.86Å; T807-Y810 PolarHBondContact O-N 2.91Å; Y810-I832 HydrophobicContact CD1-CB 4.01Å; Y810-I832 HydrophobicContact CD1-CG2 3.45Å; Y810-I832 VanDerWaalsContact CD1-CG2 3.45Å; Y810-I832 HydrophobicContact CE1-CG2 3.82Å; Y810-I832 HydrophobicContact CG-CG2 4.42Å; Y810-I833 HydrophobicContact CD1-CG1 3.92Å; Y810-I833 HydrophobicContact CE1-CG1 3.86Å; Y810-I836 HydrophobicContact CE1-CD1 3.68Å
811	I	93.8	Very high	87.8	Confident	9 Å²	9	38.4 Å²	38.4	5%	0.046	21%	0.211	C	C	.	.			trans	-68.9	136.8	-176.4	-158.9	168.4	0	0	0	111.2	V804 T807 P808 I815 L816 W828 F855 I858	V804-I811 HydrophobicContact CG1-CD1 4.23Å; T807-I811 PolarHBondContact O-N 3.44Å; P808-I811 WeakPolarHBondContact O-CG2 3.37Å; I811-I815 HydrophobicContact CD1-CB 4.33Å; I811-I815 HydrophobicContact CD1-CG2 3.9Å; I811-I815 HydrophobicContact CG1-CB 3.99Å; I811-I815 HydrophobicContact CG1-CD1 3.82Å; I811-I815 HydrophobicContact CG1-CG1 4.47Å; I811-I815 HydrophobicContact CG1-CG2 4.05Å; I811-L816 HydrophobicContact CD1-CD2 3.97Å; I811-L816 HydrophobicContact CG2-CD1 3.93Å; I811-L816 HydrophobicContact CG2-CD2 4.07Å; I811-L816 HydrophobicContact CG2-CG 4.04Å; I811-W828 PolarHBondContact O-NE1 3.34Å; I811-F855 HydrophobicContact CG2-CE1 4.28Å; I811-I858 HydrophobicContact CG2-CD1 4.02Å
812	A	95.9	Very high	88.3	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.008	21%	0.213	C	C	.	.			trans	-80.9	149.1	-178.8	0	0	0	0	0	112	E814 I815 V825 W828	A812-E814 VanDerWaalsContact C-N 3.33Å; A812-E814 WeakPolarHBondContact CB-OE2 3.41Å; A812-E814 PolarHBondContact O-N 2.98Å; A812-I815 HydrophobicContact CB-CD1 4.1Å; A812-I815 HydrophobicContact CB-CG1 4.23Å; A812-I815 WeakPolarHBondContact O-CB 3.4Å; A812-I815 PolarHBondContact O-N 3.49Å; A812-I815 VanDerWaalsContact O-N 3.1Å; A812-V825 HydrophobicContact CB-CB 3.95Å; A812-V825 HydrophobicContact CB-CG1 3.87Å; A812-W828 HydrophobicContact CB-CB 3.94Å; A812-W828 HydrophobicContact CB-CD2 4.49Å; A812-W828 HydrophobicContact CB-CG 3.85Å
813	P	95.6	Very high	88.9	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-39.2	-175.3	24.9	-35.5	0	0	0	112.7	I815 L816 E817 W828 I858 K859 I887	P813-I815 PolarHBondContact O-N 2.93Å; P813-I815 VanDerWaalsContact O-N 3.15Å; P813-L816 CarbonylContact O-C 3.51Å; P813-L816 WeakPolarHBondContact O-CA 3.48Å; P813-L816 WeakPolarHBondContact O-CB 3.43Å; P813-L816 PolarHBondContact O-N 2.79Å; P813-E817 WeakPolarHBondContact O-CG 3.38Å; P813-E817 PolarHBondContact O-N 2.86Å; P813-E817 VanDerWaalsContact O-N 3.07Å; P813-W828 HydrophobicContact CG-CE3 4.25Å; P813-W828 HydrophobicContact CG-CH2 4.13Å; P813-W828 HydrophobicContact CG-CZ2 4.49Å; P813-W828 HydrophobicContact CG-CZ3 3.98Å; P813-I858 HydrophobicContact CB-CG2 4.29Å; P813-K859 HydrophobicContact CB-CG 4.41Å; P813-I887 HydrophobicContact CB-CD1 3.76Å; P813-I887 HydrophobicContact CG-CD1 3.62Å
814	E	94.8	Very high	89.8	Confident	5 Å²	5	31.9 Å²	31.9	2%	0.023	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-20.7	178.7	64.3	-91.5	-148.9	0	0	113.9	A812 E818 S819 V825 P889 R892	A812-E814 VanDerWaalsContact C-N 3.33Å; A812-E814 WeakPolarHBondContact CB-OE2 3.41Å; A812-E814 PolarHBondContact O-N 2.98Å; E814-E818 PolarHBondContact O-N 2.87Å; E814-S819 PolarHBondContact O-N 3.03Å; E814-S819 PolarHBondContact O-OG 2.9Å; E814-V825 HydrophobicContact CG-CG1 4.16Å; E814-V825 WeakPolarHBondContact OE1-CG1 3.35Å; E814-P889 HydrophobicContact CB-CG 4.09Å; E814-P889 HydrophobicContact CG-CG 3.99Å; E814-R892 IonicContact OE1-CZ 3.33Å; E814-R892 IonicContact OE1-NH1 3.96Å; E814-R892 PolarHBondContact OE1-NH1 2.8Å; E814-R892 IonicContact OE1-NH2 2.74Å; E814-R892 PolarHBondContact OE1-NH2 3.37Å; E814-R892 IonicContact OE2-CZ 3.74Å; E814-R892 IonicContact OE2-NH1 2.69Å; E814-R892 IonicContact OE2-NH2 3.76Å; E814-R892 PolarHBondContact OE2-NH2 3.37Å
815	I	91.9	Very high	90.6	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-75.8	-41.2	171.5	-52.1	174.6	0	0	0	109.6	V804 I811 A812 P813 E817 E818 Y821 V825	V804-I815 HydrophobicContact CB-CG2 4.31Å; V804-I815 HydrophobicContact CG1-CG2 4.22Å; V804-I815 HydrophobicContact CG2-CG2 4.34Å; I811-I815 HydrophobicContact CD1-CB 4.33Å; I811-I815 HydrophobicContact CD1-CG2 3.9Å; I811-I815 HydrophobicContact CG1-CB 3.99Å; I811-I815 HydrophobicContact CG1-CD1 3.82Å; I811-I815 HydrophobicContact CG1-CG1 4.47Å; I811-I815 HydrophobicContact CG1-CG2 4.05Å; A812-I815 HydrophobicContact CB-CD1 4.1Å; A812-I815 HydrophobicContact CB-CG1 4.23Å; A812-I815 WeakPolarHBondContact O-CB 3.4Å; A812-I815 PolarHBondContact O-N 3.49Å; A812-I815 VanDerWaalsContact O-N 3.1Å; P813-I815 PolarHBondContact O-N 2.93Å; P813-I815 VanDerWaalsContact O-N 3.15Å; I815-E817 VanDerWaalsContact C-N 3.27Å; I815-E817 PolarHBondContact O-N 2.8Å; I815-E818 PolarHBondContact O-N 2.94Å; I815-Y821 HydrophobicContact CB-CD1 4.33Å; I815-Y821 HydrophobicContact CG1-CD1 3.74Å; I815-Y821 HydrophobicContact CG1-CD2 4.35Å; I815-Y821 HydrophobicContact CG1-CE1 4.06Å; I815-Y821 HydrophobicContact CG1-CG 3.9Å; I815-Y821 HydrophobicContact CG2-CD1 4.4Å; I815-Y821 HydrophobicContact CG2-CE1 4.14Å; I815-V825 HydrophobicContact CD1-CB 4.09Å; I815-V825 HydrophobicContact CD1-CG1 3.84Å; I815-V825 HydrophobicContact CG1-CG1 3.91Å
816	L	90.3	Very high	91.4	Very high	24 Å²	24	28.8 Å²	28.8	13%	0.126	16%	0.164	C	C	.	.	H	α-helix	trans	-76.2	-9.2	179.8	-62.8	176.4	0	0	0	114.6	I811 P813 F855 I858 K859	I811-L816 HydrophobicContact CD1-CD2 3.97Å; I811-L816 HydrophobicContact CG2-CD1 3.93Å; I811-L816 HydrophobicContact CG2-CD2 4.07Å; I811-L816 HydrophobicContact CG2-CG 4.04Å; P813-L816 CarbonylContact O-C 3.51Å; P813-L816 WeakPolarHBondContact O-CA 3.48Å; P813-L816 WeakPolarHBondContact O-CB 3.43Å; P813-L816 PolarHBondContact O-N 2.79Å; L816-F855 HydrophobicContact CD1-CB 3.92Å; L816-F855 HydrophobicContact CD1-CD1 3.65Å; L816-F855 HydrophobicContact CD1-CE1 4.49Å; L816-F855 HydrophobicContact CD1-CG 4.04Å; L816-F855 HydrophobicContact CD2-CB 4.39Å; L816-F855 HydrophobicContact CD2-CD1 3.59Å; L816-F855 HydrophobicContact CD2-CD2 4.29Å; L816-F855 HydrophobicContact CD2-CE1 3.82Å; L816-F855 HydrophobicContact CD2-CE2 4.48Å; L816-F855 HydrophobicContact CD2-CG 3.85Å; L816-F855 HydrophobicContact CD2-CZ 4.26Å; L816-F855 HydrophobicContact CG-CD1 4.29Å; L816-I858 HydrophobicContact CD1-CB 3.94Å; L816-I858 HydrophobicContact CD1-CD1 4.37Å; L816-I858 HydrophobicContact CD1-CG2 3.59Å; L816-K859 HydrophobicContact CB-CD 3.77Å; L816-K859 HydrophobicContact CB-CG 3.91Å; L816-K859 HydrophobicContact CD1-CG 4.28Å; L816-K859 PolarHBondContact O-NZ 2.88Å
817	E	89.4	Confident	92.3	Very high	88 Å²	88	28.2 Å²	28.2	41%	0.411	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-12.6	173.8	-70.2	176	172.8	0	0	113	P813 I815 S819 K859	P813-E817 WeakPolarHBondContact O-CG 3.38Å; P813-E817 PolarHBondContact O-N 2.86Å; P813-E817 VanDerWaalsContact O-N 3.07Å; I815-E817 VanDerWaalsContact C-N 3.27Å; I815-E817 PolarHBondContact O-N 2.8Å; E817-S819 PolarHBondContact O-N 3.21Å; E817-S819 VanDerWaalsContact O-N 3.14Å; E817-S819 PolarHBondContact OE2-OG 3.28Å; E817-K859 HydrophobicContact CG-CD 3.76Å; E817-K859 HydrophobicContact CG-CG 4.27Å
818	E	86.6	Confident	92.9	Very high	108 Å²	108	26.2 Å²	26.2	51%	0.505	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	33	-171.5	-57.4	173	-178.3	0	0	111.6	V804 E814 I815	V804-E818 HydrophobicContact CG2-CG 4.14Å; E814-E818 PolarHBondContact O-N 2.87Å; I815-E818 PolarHBondContact O-N 2.94Å
819	S	83.4	Confident	93.4	Very high	55 Å²	55	25 Å²	25	39%	0.385	14%	0.138	S	C	.	.	S	Bend	trans	-80.7	-21.6	-176.3	46.9	0	0	0	0	112.6	E814 E817	E814-S819 PolarHBondContact O-N 3.03Å; E814-S819 PolarHBondContact O-OG 2.9Å; E817-S819 PolarHBondContact O-N 3.21Å; E817-S819 VanDerWaalsContact O-N 3.14Å; E817-S819 PolarHBondContact OE2-OG 3.28Å
820	G	84.7	Confident	93.7	Very high	22 Å²	22	22.7 Å²	22.7	23%	0.227	12%	0.124	C	C	.	.			trans	110.2	112	176.6	0	0	0	0	0	111	M801	M801-G820 CarbonylContact O-C 3.59Å; M801-G820 WeakPolarHBondContact O-CA 3.43Å
821	Y	89.9	Confident	93.8	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.027	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-113.3	161.1	-169.8	69.5	-96.7	0	0	0	113.7	R767 M801 T803 I815 V825	R767-Y821 WeakPolarHBondContact CD-OH 3.42Å; R767-Y821 HydrophobicContact CG-CE2 4.32Å; R767-Y821 PolarHBondContact NH1-OH 2.95Å; M801-Y821 HydrophobicContact CB-CD1 4.22Å; M801-Y821 HydrophobicContact CB-CD2 4.02Å; M801-Y821 HydrophobicContact CB-CE1 3.88Å; M801-Y821 HydrophobicContact CB-CE2 3.64Å; M801-Y821 HydrophobicContact CB-CG 4.29Å; M801-Y821 HydrophobicContact CE-CD2 3.61Å; M801-Y821 HydrophobicContact CE-CE2 3.56Å; M801-Y821 WeakPolarHBondContact CE-O 3.34Å; M801-Y821 HydrophobicContact CG-CE2 4.38Å; M801-Y821 PolarHBondContact N-O 2.97Å; M801-Y821 WeakPolarHBondContact O-CD1 3.42Å; M801-Y821 WeakPolarHBondContact O-CE1 3.32Å; M801-Y821 PolarHBondContact O-N 3.37Å; M801-Y821 HydrophobicContact SD-CD2 4.49Å; M801-Y821 HydrophobicContact SD-CE2 3.88Å; T803-Y821 VanDerWaalsContact O-CE1 3.29Å; T803-Y821 WeakPolarHBondContact O-CE1 3.29Å; T803-Y821 PolarHBondContact O-OH 3.2Å; I815-Y821 HydrophobicContact CB-CD1 4.33Å; I815-Y821 HydrophobicContact CG1-CD1 3.74Å; I815-Y821 HydrophobicContact CG1-CD2 4.35Å; I815-Y821 HydrophobicContact CG1-CE1 4.06Å; I815-Y821 HydrophobicContact CG1-CG 3.9Å; I815-Y821 HydrophobicContact CG2-CD1 4.4Å; I815-Y821 HydrophobicContact CG2-CE1 4.14Å; Y821-V825 HydrophobicContact CD2-CG1 3.63Å; Y821-V825 HydrophobicContact CD2-CG2 4.23Å; Y821-V825 HydrophobicContact CG-CG1 3.93Å
822	G	93.1	Very high	94	Very high	12 Å²	12	21.1 Å²	21.1	12%	0.124	12%	0.117	C	C	.	.			trans	-125.8	-133.7	-176	0	0	0	0	0	113.6	V765 M801 E824	V765-G822 WeakPolarHBondContact CG2-O 3.38Å; M801-G822 VanDerWaalsContact CE-O 3.31Å; M801-G822 WeakPolarHBondContact CE-O 3.27Å; G822-E824 VanDerWaalsContact C-OE2 3.25Å; G822-E824 WeakPolarHBondContact CA-OE2 3.49Å
823	L	96.1	Very high	94.1	Very high	34 Å²	34	21 Å²	21	18%	0.178	12%	0.116	C	C	.	.	S	Bend	trans	-81.9	-23.4	179.3	-59.3	170.1	0	0	0	112.1	H760 V765 V797 V825 D826	H760-L823 HydrophobicContact CB-CD1 4.06Å; H760-L823 PolarHBondContact CE1-O 2.78Å; H760-L823 PolarHBondContact NE2-O 3.04Å; V765-L823 HydrophobicContact CB-CD2 4.1Å; V797-L823 HydrophobicContact CB-CD2 4.35Å; V797-L823 HydrophobicContact CG2-CD2 3.69Å; V797-L823 HydrophobicContact CG2-CG 4.35Å; L823-V825 PolarHBondContact O-N 2.93Å; L823-V825 VanDerWaalsContact O-N 3.11Å; L823-D826 PolarHBondContact O-N 3.16Å
824	E	97.1	Very high	94.2	Very high	65 Å²	65	21 Å²	21	30%	0.304	12%	0.116	S	C	.	.	H	α-helix	trans	-64.4	-18.3	-170.7	-58.6	78.3	-173.7	0	0	113.1	G822 D826 M827 W828 P889 R892	G822-E824 VanDerWaalsContact C-OE2 3.25Å; G822-E824 WeakPolarHBondContact CA-OE2 3.49Å; E824-D826 VanDerWaalsContact C-N 3.31Å; E824-D826 PolarHBondContact O-N 3.33Å; E824-M827 WeakPolarHBondContact O-CB 2.84Å; E824-M827 PolarHBondContact O-N 3.24Å; E824-W828 PolarHBondContact O-N 2.95Å; E824-P889 HydrophobicContact CB-CB 3.84Å; E824-P889 HydrophobicContact CG-CB 3.99Å; E824-R892 VanDerWaalsContact C-NH1 3.34Å; E824-R892 PolarHBondContact O-NH1 2.92Å
825	V	97.3	Very high	94.4	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.036	12%	0.116	C	C	.	.	H	α-helix	trans	-65.6	-33	177.5	-57.2	0	0	0	0	112.4	V765 R767 A812 E814 I815 Y821 L823 M827 W828 A829	V765-V825 HydrophobicContact CG2-CG2 3.51Å; R767-V825 HydrophobicContact CG-CG2 4.39Å; A812-V825 HydrophobicContact CB-CB 3.95Å; A812-V825 HydrophobicContact CB-CG1 3.87Å; E814-V825 HydrophobicContact CG-CG1 4.16Å; E814-V825 WeakPolarHBondContact OE1-CG1 3.35Å; I815-V825 HydrophobicContact CD1-CB 4.09Å; I815-V825 HydrophobicContact CD1-CG1 3.84Å; I815-V825 HydrophobicContact CG1-CG1 3.91Å; Y821-V825 HydrophobicContact CD2-CG1 3.63Å; Y821-V825 HydrophobicContact CD2-CG2 4.23Å; Y821-V825 HydrophobicContact CG-CG1 3.93Å; L823-V825 PolarHBondContact O-N 2.93Å; L823-V825 VanDerWaalsContact O-N 3.11Å; V825-M827 VanDerWaalsContact C-N 3.27Å; V825-M827 PolarHBondContact O-N 3.24Å; V825-W828 PolarHBondContact O-N 3.36Å; V825-A829 PolarHBondContact O-N 2.69Å; V825-A829 VanDerWaalsContact O-N 3.16Å
826	D	98.2	Very high	94.6	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.011	12%	0.118	C	C	.	.	H	α-helix	trans	-69	-31.3	176	-59.9	-31.8	0	0	0	110.8	L756 H760 V765 H766 R767 L769 L823 E824 A829 L830	L756-D826 HydrophobicContact CD1-CB 4.04Å; L756-D826 HydrophobicContact CD2-CB 3.72Å; H760-D826 IonicContact CD2-OD2 2.74Å; H760-D826 IonicContact CE1-OD2 3.63Å; H760-D826 IonicContact NE2-OD2 3.47Å; H760-D826 PolarHBondContact NE2-OD2 3.31Å; V765-D826 WeakPolarHBondContact CA-OD2 3.35Å; V765-D826 WeakPolarHBondContact CG2-OD2 3.39Å; H766-D826 WeakPolarHBondContact CB-OD1 3.42Å; H766-D826 PolarHBondContact N-OD1 3.48Å; H766-D826 VanDerWaalsContact N-OD1 3.15Å; H766-D826 PolarHBondContact N-OD2 2.97Å; R767-D826 PolarHBondContact N-OD1 3.3Å; L769-D826 WeakPolarHBondContact CD2-O 3.33Å; L823-D826 PolarHBondContact O-N 3.16Å; E824-D826 VanDerWaalsContact C-N 3.31Å; E824-D826 PolarHBondContact O-N 3.33Å; D826-A829 PolarHBondContact O-N 3.3Å; D826-L830 PolarHBondContact O-N 2.74Å
827	M	98.7	Very high	94.9	Very high	3 Å²	3	20.2 Å²	20.2	2%	0.015	11%	0.112	C	C	.	.	H	α-helix	trans	-72.4	-37.3	178.4	-56.3	-51.4	-52.6	0	0	111.8	L756 E824 V825 L830 G831 L884 R892 L893 A895 T898	L756-M827 HydrophobicContact CB-SD 4.5Å; L756-M827 HydrophobicContact CD1-SD 3.85Å; E824-M827 WeakPolarHBondContact O-CB 2.84Å; E824-M827 PolarHBondContact O-N 3.24Å; V825-M827 VanDerWaalsContact C-N 3.27Å; V825-M827 PolarHBondContact O-N 3.24Å; M827-L830 HydrophobicContact CE-CD2 3.87Å; M827-L830 PolarHBondContact O-N 3.36Å; M827-G831 PolarHBondContact O-N 3.02Å; M827-L884 HydrophobicContact CB-CD2 4.21Å; M827-L884 HydrophobicContact CE-CD2 3.64Å; M827-R892 HydrophobicContact CB-CG 4.49Å; M827-L893 WeakPolarHBondContact CB-O 3.31Å; M827-L893 WeakPolarHBondContact CG-O 3.46Å; M827-A895 HydrophobicContact CE-CB 4.14Å; M827-A895 HydrophobicContact SD-CB 3.73Å; M827-A895 PolarHBondContact SD-N 2.59Å; M827-T898 VanDerWaalsContact CE-OG1 3.23Å; M827-T898 WeakPolarHBondContact CE-OG1 3.16Å
828	W	98.5	Very high	95.2	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-49.9	170.2	175.7	-87.4	0	0	0	110.9	I811 A812 P813 E824 V825 L830 G831 I832 F844 I858 L885 I887	I811-W828 PolarHBondContact O-NE1 3.34Å; A812-W828 HydrophobicContact CB-CB 3.94Å; A812-W828 HydrophobicContact CB-CD2 4.49Å; A812-W828 HydrophobicContact CB-CG 3.85Å; P813-W828 HydrophobicContact CG-CE3 4.25Å; P813-W828 HydrophobicContact CG-CH2 4.13Å; P813-W828 HydrophobicContact CG-CZ2 4.49Å; P813-W828 HydrophobicContact CG-CZ3 3.98Å; E824-W828 PolarHBondContact O-N 2.95Å; V825-W828 PolarHBondContact O-N 3.36Å; W828-L830 VanDerWaalsContact C-N 3.3Å; W828-L830 PolarHBondContact O-N 3.02Å; W828-G831 WeakPolarHBondContact O-CA 3.2Å; W828-G831 PolarHBondContact O-N 3.07Å; W828-I832 WeakPolarHBondContact O-CG1 3.38Å; W828-I832 PolarHBondContact O-N 2.67Å; W828-F844 AromaticContact CH2-CE2 3.71Å; W828-F844 HydrophobicContact CH2-CE2 3.71Å; W828-F844 AromaticContact CH2-CZ 3.79Å; W828-F844 HydrophobicContact CH2-CZ 3.79Å; W828-F844 HydrophobicContact CZ2-CD2 4.08Å; W828-F844 AromaticContact CZ2-CE2 3.32Å; W828-F844 HydrophobicContact CZ2-CE2 3.32Å; W828-F844 AromaticContact CZ2-CZ 3.87Å; W828-F844 HydrophobicContact CZ2-CZ 3.87Å; W828-I858 HydrophobicContact CZ2-CG2 3.91Å; W828-L885 HydrophobicContact CD2-CD2 3.93Å; W828-L885 HydrophobicContact CE3-CD2 4.04Å; W828-L885 HydrophobicContact CG-CD2 4.39Å; W828-L885 HydrophobicContact CZ2-CD2 4.47Å; W828-L885 HydrophobicContact CZ3-CB 4.28Å; W828-L885 HydrophobicContact CZ3-CD2 4.38Å; W828-L885 VanDerWaalsContact CZ3-O 3.32Å; W828-L885 WeakPolarHBondContact CZ3-O 3.49Å; W828-I887 HydrophobicContact CH2-CD1 4.09Å; W828-I887 HydrophobicContact CZ3-CD1 4.22Å
829	A	98.3	Very high	95.5	Very high	5 Å²	5	11.4 Å²	11.4	4%	0.041	7%	0.072	C	C	.	.	H	α-helix	trans	-59.6	-38.3	177.4	0	0	0	0	0	112.5	L769 V825 D826 G831 I832 I833	L769-A829 HydrophobicContact CB-CB 3.9Å; L769-A829 HydrophobicContact CD2-CB 4.07Å; L769-A829 HydrophobicContact CG-CB 4.33Å; V825-A829 PolarHBondContact O-N 2.69Å; V825-A829 VanDerWaalsContact O-N 3.16Å; D826-A829 PolarHBondContact O-N 3.3Å; A829-G831 VanDerWaalsContact C-N 3.34Å; A829-G831 PolarHBondContact O-N 2.93Å; A829-I832 PolarHBondContact O-N 3.33Å; A829-I833 WeakPolarHBondContact O-CD1 3.46Å; A829-I833 VanDerWaalsContact O-CG1 3.26Å; A829-I833 WeakPolarHBondContact O-CG1 3.25Å; A829-I833 PolarHBondContact O-N 3.31Å
830	L	98.7	Very high	95.9	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.2	-40.2	172.2	-177.2	62.9	0	0	0	112	V749 L752 A753 L756 L769 D826 M827 W828 I833 T834 L884 T898	V749-L830 HydrophobicContact CG1-CD1 4.48Å; V749-L830 HydrophobicContact CG1-CD2 4.42Å; V749-L830 HydrophobicContact CG2-CD1 4.45Å; L752-L830 HydrophobicContact CB-CD1 3.79Å; L752-L830 HydrophobicContact CD1-CD1 3.79Å; L752-L830 HydrophobicContact CG-CD1 4.46Å; A753-L830 HydrophobicContact CB-CD2 4.3Å; L756-L830 HydrophobicContact CD1-CB 4.44Å; L756-L830 HydrophobicContact CD1-CD2 4.23Å; L769-L830 HydrophobicContact CD2-CB 4.11Å; D826-L830 PolarHBondContact O-N 2.74Å; M827-L830 HydrophobicContact CE-CD2 3.87Å; M827-L830 PolarHBondContact O-N 3.36Å; W828-L830 VanDerWaalsContact C-N 3.3Å; W828-L830 PolarHBondContact O-N 3.02Å; L830-I833 PolarHBondContact O-N 2.93Å; L830-T834 WeakPolarHBondContact O-CB 3.38Å; L830-T834 PolarHBondContact O-N 3.45Å; L830-T834 PolarHBondContact O-OG1 3.31Å; L830-L884 HydrophobicContact CG-CD1 4.41Å; L830-T898 HydrophobicContact CD2-CG2 4.09Å
831	G	98.5	Very high	96.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.3	-45.8	172.9	0	0	0	0	0	112.8	M827 W828 A829 I833 T834 Y835	M827-G831 PolarHBondContact O-N 3.02Å; W828-G831 WeakPolarHBondContact O-CA 3.2Å; W828-G831 PolarHBondContact O-N 3.07Å; A829-G831 VanDerWaalsContact C-N 3.34Å; A829-G831 PolarHBondContact O-N 2.93Å; G831-I833 PolarHBondContact O-N 3.13Å; G831-T834 PolarHBondContact O-N 3.43Å; G831-Y835 PolarHBondContact O-N 3.06Å
832	I	98	Very high	96.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.9	-46.4	176	-59.3	-64.6	0	0	0	110.9	Y810 W828 A829 Y835 I836 P843 F844 L885	Y810-I832 HydrophobicContact CD1-CB 4.01Å; Y810-I832 HydrophobicContact CD1-CG2 3.45Å; Y810-I832 VanDerWaalsContact CD1-CG2 3.45Å; Y810-I832 HydrophobicContact CE1-CG2 3.82Å; Y810-I832 HydrophobicContact CG-CG2 4.42Å; W828-I832 WeakPolarHBondContact O-CG1 3.38Å; W828-I832 PolarHBondContact O-N 2.67Å; A829-I832 PolarHBondContact O-N 3.33Å; I832-Y835 PolarHBondContact O-N 3.47Å; I832-I836 HydrophobicContact CG2-CD1 3.78Å; I832-I836 WeakPolarHBondContact O-CD1 3.23Å; I832-I836 VanDerWaalsContact O-CG1 3.28Å; I832-I836 WeakPolarHBondContact O-CG1 3.47Å; I832-I836 PolarHBondContact O-N 3.38Å; I832-P843 HydrophobicContact CD1-CG 3.57Å; I832-F844 HydrophobicContact CD1-CD2 3.66Å; I832-F844 HydrophobicContact CD1-CE2 3.7Å; I832-L885 HydrophobicContact CD1-CD1 4.34Å; I832-L885 HydrophobicContact CD1-CD2 3.69Å; I832-L885 HydrophobicContact CG1-CD2 3.98Å
833	I	97.7	Very high	96.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.9	-40.8	-179.8	-66.5	164.4	0	0	0	110.9	L730 L769 P771 I774 Y810 A829 L830 G831 Y835 I836 M837	L730-I833 HydrophobicContact CD2-CG2 3.82Å; L769-I833 HydrophobicContact CD2-CD1 4.26Å; L769-I833 HydrophobicContact CG-CD1 3.81Å; P771-I833 HydrophobicContact CG-CG1 4.27Å; I774-I833 HydrophobicContact CD1-CD1 3.86Å; I774-I833 HydrophobicContact CD1-CG2 4.49Å; Y810-I833 HydrophobicContact CD1-CG1 3.92Å; Y810-I833 HydrophobicContact CE1-CG1 3.86Å; A829-I833 WeakPolarHBondContact O-CD1 3.46Å; A829-I833 VanDerWaalsContact O-CG1 3.26Å; A829-I833 WeakPolarHBondContact O-CG1 3.25Å; A829-I833 PolarHBondContact O-N 3.31Å; L830-I833 PolarHBondContact O-N 2.93Å; G831-I833 PolarHBondContact O-N 3.13Å; I833-Y835 PolarHBondContact O-N 3.49Å; I833-I836 PolarHBondContact O-N 2.6Å; I833-M837 HydrophobicContact CG2-CE 4.29Å; I833-M837 HydrophobicContact CG2-CG 4.46Å; I833-M837 WeakPolarHBondContact O-CG 3.4Å; I833-M837 PolarHBondContact O-N 3.41Å
834	T	98.1	Very high	96.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62	-43.9	176.3	-53.2	0	0	0	0	111.3	V749 L830 G831 M837 L838 I881 W903	V749-T834 HydrophobicContact CG2-CG2 3.91Å; V749-T834 VanDerWaalsContact CG2-OG1 3.25Å; V749-T834 WeakPolarHBondContact CG2-OG1 3.49Å; L830-T834 WeakPolarHBondContact O-CB 3.38Å; L830-T834 PolarHBondContact O-N 3.45Å; L830-T834 PolarHBondContact O-OG1 3.31Å; G831-T834 PolarHBondContact O-N 3.43Å; T834-M837 PolarHBondContact O-N 2.82Å; T834-L838 HydrophobicContact CG2-CD1 4.48Å; T834-L838 PolarHBondContact O-N 3.11Å; T834-I881 HydrophobicContact CG2-CD1 4.08Å; T834-I881 HydrophobicContact CG2-CG1 3.87Å; T834-W903 HydrophobicContact CG2-CH2 4.2Å; T834-W903 HydrophobicContact CG2-CZ3 4.14Å
835	Y	97.8	Very high	95.9	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.008	7%	0.074	C	C	.	.	H	α-helix	trans	-59.7	-48.1	174.3	-174.7	-76.3	0	0	0	111.3	G831 I832 I833 M837 L838 C839 F841 P843 F863 V864 F865 W870 I881	G831-Y835 PolarHBondContact O-N 3.06Å; I832-Y835 PolarHBondContact O-N 3.47Å; I833-Y835 PolarHBondContact O-N 3.49Å; Y835-M837 PolarHBondContact O-N 3.34Å; Y835-L838 PolarHBondContact O-N 3.4Å; Y835-C839 WeakPolarHBondContact CE1-SG 3.24Å; Y835-C839 PolarHBondContact O-N 3.4Å; Y835-C839 PolarHBondContact O-SG 3.27Å; Y835-C839 VanDerWaalsContact O-SG 3.35Å; Y835-F841 WeakPolarHBondContact CD1-O 3.41Å; Y835-F841 AromaticContact CE1-CD2 3.95Å; Y835-F841 HydrophobicContact CE1-CD2 3.95Å; Y835-F841 AromaticContact CE1-CE2 3.81Å; Y835-F841 HydrophobicContact CE1-CE2 3.81Å; Y835-F841 HydrophobicContact CE1-CZ 4.46Å; Y835-F841 WeakPolarHBondContact CE1-O 3.3Å; Y835-F841 VanDerWaalsContact OH-CE2 3.32Å; Y835-F841 WeakPolarHBondContact OH-CE2 3.32Å; Y835-P843 HydrophobicContact CD1-CB 3.76Å; Y835-P843 VanDerWaalsContact CD1-CD 3.47Å; Y835-P843 HydrophobicContact CD1-CG 3.95Å; Y835-P843 HydrophobicContact CD2-CB 3.96Å; Y835-P843 HydrophobicContact CD2-CG 4.47Å; Y835-P843 HydrophobicContact CE1-CB 3.78Å; Y835-P843 HydrophobicContact CE1-CG 4.43Å; Y835-P843 HydrophobicContact CE2-CB 3.98Å; Y835-P843 HydrophobicContact CG-CB 3.87Å; Y835-P843 HydrophobicContact CG-CG 3.99Å; Y835-F863 HydrophobicContact CD2-CD2 4.43Å; Y835-F863 HydrophobicContact CE2-CD2 4.18Å; Y835-V864 PolarHBondContact OH-O 2.9Å; Y835-V864 VanDerWaalsContact OH-O 3.14Å; Y835-F865 HydrophobicContact CD2-CD1 4.33Å; Y835-F865 HydrophobicContact CD2-CE1 4.12Å; Y835-F865 AromaticContact CE2-CD1 3.9Å; Y835-F865 HydrophobicContact CE2-CD1 3.9Å; Y835-F865 HydrophobicContact CE2-CE1 4.14Å; Y835-W870 HydrophobicContact CD1-CZ2 4.01Å; Y835-W870 AromaticContact CD2-CH2 3.88Å; Y835-W870 HydrophobicContact CD2-CH2 3.88Å; Y835-W870 AromaticContact CD2-CZ2 3.36Å; Y835-W870 HydrophobicContact CD2-CZ2 3.36Å; Y835-W870 HydrophobicContact CE1-CZ2 4.05Å; Y835-W870 AromaticContact CE2-CE2 3.63Å; Y835-W870 HydrophobicContact CE2-CH2 4.25Å; Y835-W870 AromaticContact CE2-CZ2 3.4Å; Y835-W870 HydrophobicContact CE2-CZ2 3.4Å; Y835-W870 AromaticContact CE2-NE1 3.69Å; Y835-W870 HydrophobicContact CG-CH2 4.22Å; Y835-W870 AromaticContact CG-CZ2 3.67Å; Y835-W870 HydrophobicContact CG-CZ2 3.67Å; Y835-W870 AromaticContact CZ-CE2 3.78Å; Y835-W870 AromaticContact CZ-CZ2 3.73Å; Y835-W870 AromaticContact CZ-NE1 3.42Å; Y835-W870 PolarHBondContact OH-NE1 2.97Å; Y835-I881 HydrophobicContact CD2-CG2 4.16Å
836	I	96.1	Very high	95.2	Very high	15 Å²	15	14.9 Å²	14.9	8%	0.077	8%	0.08	C	C	.	.	H	α-helix	trans	-62	-40.8	178.5	-65	161.5	0	0	0	111.7	I734 Y810 I832 I833 L838 G840 A842	I734-I836 HydrophobicContact CD1-CG2 4.09Å; I734-I836 HydrophobicContact CG2-CG2 4.28Å; Y810-I836 HydrophobicContact CE1-CD1 3.68Å; I832-I836 HydrophobicContact CG2-CD1 3.78Å; I832-I836 WeakPolarHBondContact O-CD1 3.23Å; I832-I836 VanDerWaalsContact O-CG1 3.28Å; I832-I836 WeakPolarHBondContact O-CG1 3.47Å; I832-I836 PolarHBondContact O-N 3.38Å; I833-I836 PolarHBondContact O-N 2.6Å; I836-L838 VanDerWaalsContact C-N 3.28Å; I836-L838 PolarHBondContact O-N 3.04Å; I836-G840 WeakPolarHBondContact O-CA 3.44Å; I836-G840 PolarHBondContact O-N 3.24Å; I836-A842 HydrophobicContact CD1-CB 4.05Å; I836-A842 HydrophobicContact CG1-CB 4.06Å
837	M	96.7	Very high	94.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-33.8	179.9	-76.7	-166.6	-63.5	0	0	113.2	L730 I734 F740 A745 I748 V749 I833 T834 Y835	L730-M837 HydrophobicContact CD1-SD 3.98Å; L730-M837 HydrophobicContact CD2-SD 4.02Å; I734-M837 HydrophobicContact CD1-CG 3.95Å; I734-M837 HydrophobicContact CG1-CG 4.19Å; F740-M837 HydrophobicContact CD2-CB 4.15Å; F740-M837 HydrophobicContact CD2-CG 3.98Å; F740-M837 HydrophobicContact CD2-SD 4.1Å; F740-M837 HydrophobicContact CE2-CG 4.49Å; F740-M837 HydrophobicContact CE2-SD 4.49Å; F740-M837 PolarHBondContact N-O 2.82Å; A745-M837 HydrophobicContact CB-CB 4.32Å; A745-M837 HydrophobicContact CB-CE 4.31Å; I748-M837 HydrophobicContact CB-CE 4.23Å; I748-M837 HydrophobicContact CB-SD 4.08Å; I748-M837 HydrophobicContact CD1-SD 3.87Å; I748-M837 HydrophobicContact CG2-CE 3.93Å; I748-M837 HydrophobicContact CG2-SD 3.72Å; V749-M837 HydrophobicContact CG2-CE 3.73Å; I833-M837 HydrophobicContact CG2-CE 4.29Å; I833-M837 HydrophobicContact CG2-CG 4.46Å; I833-M837 WeakPolarHBondContact O-CG 3.4Å; I833-M837 PolarHBondContact O-N 3.41Å; T834-M837 PolarHBondContact O-N 2.82Å; Y835-M837 PolarHBondContact O-N 3.34Å
838	L	96	Very high	93.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-87.6	-30.1	-174.3	-66.2	178.5	0	0	0	114.1	K739 E742 A745 T834 Y835 I836 W870 I873 A877 I881 W903	K739-L838 VanDerWaalsContact CD-O 3.22Å; K739-L838 WeakPolarHBondContact CD-O 3.38Å; E742-L838 HydrophobicContact CG-CD2 3.88Å; A745-L838 HydrophobicContact CB-CD2 3.61Å; A745-L838 HydrophobicContact CB-CG 4.35Å; T834-L838 HydrophobicContact CG2-CD1 4.48Å; T834-L838 PolarHBondContact O-N 3.11Å; Y835-L838 PolarHBondContact O-N 3.4Å; I836-L838 VanDerWaalsContact C-N 3.28Å; I836-L838 PolarHBondContact O-N 3.04Å; L838-W870 HydrophobicContact CB-CH2 3.75Å; L838-W870 HydrophobicContact CB-CZ2 4.37Å; L838-W870 HydrophobicContact CB-CZ3 4.18Å; L838-W870 HydrophobicContact CD1-CH2 4.05Å; L838-W870 HydrophobicContact CD1-CZ3 4.03Å; L838-I873 HydrophobicContact CB-CD1 4.44Å; L838-I873 HydrophobicContact CD1-CG2 4.14Å; L838-A877 HydrophobicContact CD1-CB 3.88Å; L838-I881 HydrophobicContact CD1-CD1 4.17Å; L838-W903 HydrophobicContact CD1-CH2 4.25Å; L838-W903 HydrophobicContact CD1-CZ2 4.04Å; L838-W903 HydrophobicContact CD2-CH2 4.47Å; L838-W903 HydrophobicContact CD2-CZ2 4.19Å
839	C	93.5	Very high	92.5	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-119.1	-3.5	179.6	74.6	0	0	0	0	115.2	Y835 F841 W870	Y835-C839 WeakPolarHBondContact CE1-SG 3.24Å; Y835-C839 PolarHBondContact O-N 3.4Å; Y835-C839 PolarHBondContact O-SG 3.27Å; Y835-C839 VanDerWaalsContact O-SG 3.35Å; C839-F841 VanDerWaalsContact C-N 3.33Å; C839-F841 HydrophobicContact CB-CD1 3.95Å; C839-F841 HydrophobicContact CB-CE1 3.76Å; C839-F841 HydrophobicContact CB-CZ 4.39Å; C839-F841 VanDerWaalsContact O-CD1 3.24Å; C839-F841 WeakPolarHBondContact O-CD1 3.15Å; C839-F841 WeakPolarHBondContact SG-CD1 3.47Å; C839-F841 VanDerWaalsContact SG-CE1 3.5Å; C839-F841 PolarHBondContact SG-O 3.39Å; C839-F841 VanDerWaalsContact SG-O 3.34Å; C839-W870 HydrophobicContact CB-CZ2 3.83Å
840	G	91.7	Very high	91.9	Very high	33 Å²	33	40.8 Å²	40.8	34%	0.34	20%	0.196	S	C	.	.	S	Bend	trans	78.4	8.2	-179.7	0	0	0	0	0	114.8	T738 I836	T738-G840 WeakPolarHBondContact O-CA 3.38Å; I836-G840 WeakPolarHBondContact O-CA 3.44Å; I836-G840 PolarHBondContact O-N 3.24Å
841	F	91.6	Very high	91.3	Very high	26 Å²	26	45.9 Å²	45.9	11%	0.114	22%	0.22	C	C	.	.	S	Bend	trans	-150.3	150.9	-172.2	73.7	-105	0	0	0	114.1	Y835 C839 L866 Y869	Y835-F841 WeakPolarHBondContact CD1-O 3.41Å; Y835-F841 AromaticContact CE1-CD2 3.95Å; Y835-F841 HydrophobicContact CE1-CD2 3.95Å; Y835-F841 AromaticContact CE1-CE2 3.81Å; Y835-F841 HydrophobicContact CE1-CE2 3.81Å; Y835-F841 HydrophobicContact CE1-CZ 4.46Å; Y835-F841 WeakPolarHBondContact CE1-O 3.3Å; Y835-F841 VanDerWaalsContact OH-CE2 3.32Å; Y835-F841 WeakPolarHBondContact OH-CE2 3.32Å; C839-F841 VanDerWaalsContact C-N 3.33Å; C839-F841 HydrophobicContact CB-CD1 3.95Å; C839-F841 HydrophobicContact CB-CE1 3.76Å; C839-F841 HydrophobicContact CB-CZ 4.39Å; C839-F841 VanDerWaalsContact O-CD1 3.24Å; C839-F841 WeakPolarHBondContact O-CD1 3.15Å; C839-F841 WeakPolarHBondContact SG-CD1 3.47Å; C839-F841 VanDerWaalsContact SG-CE1 3.5Å; C839-F841 PolarHBondContact SG-O 3.39Å; C839-F841 VanDerWaalsContact SG-O 3.34Å; F841-L866 HydrophobicContact CE2-CD1 4.17Å; F841-L866 HydrophobicContact CZ-CB 4.31Å; F841-L866 HydrophobicContact CZ-CD1 4.02Å; F841-Y869 HydrophobicContact CE1-CD1 4.03Å; F841-Y869 AromaticContact CE1-CD2 3.82Å; F841-Y869 HydrophobicContact CE1-CD2 3.82Å; F841-Y869 HydrophobicContact CE1-CE1 4.46Å; F841-Y869 HydrophobicContact CE1-CE2 4.27Å; F841-Y869 AromaticContact CE1-CG 3.69Å; F841-Y869 HydrophobicContact CE1-CG 3.69Å; F841-Y869 HydrophobicContact CZ-CD2 4.24Å; F841-Y869 HydrophobicContact CZ-CG 4.45Å
842	A	93.6	Very high	90.8	Very high	12 Å²	12	48.9 Å²	48.9	10%	0.099	24%	0.241	C	C	.	.			trans	-75.9	145.3	-176.9	0	0	0	0	0	113.5	T809 I836 R845	T809-A842 HydrophobicContact CG2-CB 3.74Å; I836-A842 HydrophobicContact CD1-CB 4.05Å; I836-A842 HydrophobicContact CG1-CB 4.06Å; A842-R845 WeakPolarHBondContact O-CD 3.46Å; A842-R845 WeakPolarHBondContact O-CG 3.39Å; A842-R845 PolarHBondContact O-NE 3.47Å
843	P	95.5	Very high	90.4	Very high	19 Å²	19	52.5 Å²	52.5	12%	0.123	26%	0.257	C	S	.	.	S	Bend	trans	-72.1	-38.1	-175.8	26.2	-30.8	0	0	0	113.1	I832 Y835 F863 L885	I832-P843 HydrophobicContact CD1-CG 3.57Å; Y835-P843 HydrophobicContact CD1-CB 3.76Å; Y835-P843 VanDerWaalsContact CD1-CD 3.47Å; Y835-P843 HydrophobicContact CD1-CG 3.95Å; Y835-P843 HydrophobicContact CD2-CB 3.96Å; Y835-P843 HydrophobicContact CD2-CG 4.47Å; Y835-P843 HydrophobicContact CE1-CB 3.78Å; Y835-P843 HydrophobicContact CE1-CG 4.43Å; Y835-P843 HydrophobicContact CE2-CB 3.98Å; Y835-P843 HydrophobicContact CG-CB 3.87Å; Y835-P843 HydrophobicContact CG-CG 3.99Å; P843-F863 HydrophobicContact CB-CB 3.86Å; P843-F863 HydrophobicContact CB-CD2 4.47Å; P843-F863 HydrophobicContact CB-CG 4.31Å; P843-L885 HydrophobicContact CG-CD1 4.21Å
844	F	94.5	Very high	90	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.022	26%	0.261	C	S	.	.	S	Bend	trans	-99.4	125.9	178.6	-55.9	-67.2	0	0	0	110.6	W828 I832 L854 I858 F863	W828-F844 AromaticContact CH2-CE2 3.71Å; W828-F844 HydrophobicContact CH2-CE2 3.71Å; W828-F844 AromaticContact CH2-CZ 3.79Å; W828-F844 HydrophobicContact CH2-CZ 3.79Å; W828-F844 HydrophobicContact CZ2-CD2 4.08Å; W828-F844 AromaticContact CZ2-CE2 3.32Å; W828-F844 HydrophobicContact CZ2-CE2 3.32Å; W828-F844 AromaticContact CZ2-CZ 3.87Å; W828-F844 HydrophobicContact CZ2-CZ 3.87Å; I832-F844 HydrophobicContact CD1-CD2 3.66Å; I832-F844 HydrophobicContact CD1-CE2 3.7Å; F844-L854 HydrophobicContact CB-CD1 3.92Å; F844-L854 WeakPolarHBondContact O-CD1 3.45Å; F844-I858 HydrophobicContact CB-CG1 3.75Å; F844-I858 HydrophobicContact CD2-CG1 3.9Å; F844-I858 HydrophobicContact CG-CG1 3.81Å; F844-F863 HydrophobicContact CD1-CB 4.43Å; F844-F863 HydrophobicContact CE1-CB 3.84Å; F844-F863 HydrophobicContact CE1-CD1 4.39Å; F844-F863 HydrophobicContact CZ-CB 4.07Å; F844-F863 AromaticContact CZ-CD1 3.95Å; F844-F863 HydrophobicContact CZ-CD1 3.95Å; F844-F863 HydrophobicContact CZ-CG 4.4Å
845	R	84.5	Confident	89.7	Confident	157 Å²	157	55.9 Å²	55.9	59%	0.592	27%	0.272	S	S	*	.			trans	-148.7	134.1	-171.8	-68.7	-177.3	148.4	-166.6	-15.4	111.8	A842	A842-R845 WeakPolarHBondContact O-CD 3.46Å; A842-R845 WeakPolarHBondContact O-CG 3.39Å; A842-R845 PolarHBondContact O-NE 3.47Å
846	S	83	Confident	89.4	Confident	23 Å²	23	60 Å²	60	16%	0.161	29%	0.291	C	S	.	.			trans	-90.1	121.3	165.6	43.9	0	0	0	0	110.7	D848 R849 R850	S846-D848 PolarHBondContact O-N 3.27Å; S846-R849 PolarHBondContact O-N 3.23Å; S846-R849 VanDerWaalsContact OG-C 3.25Å; S846-R849 WeakPolarHBondContact OG-CA 3.42Å; S846-R850 WeakPolarHBondContact CB-O 3.26Å; S846-R850 PolarHBondContact OG-N 3.17Å; S846-R850 PolarHBondContact OG-O 2.84Å
847	T	78.1	Confident	89.2	Confident	135 Å²	135	60.8 Å²	60.8	83%	0.828	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.4	-179	49.1	0	0	0	0	113.6
848	D	81.8	Confident	89	Confident	62 Å²	62	60.8 Å²	60.8	33%	0.332	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	19.4	178.1	56.1	18.3	0	0	0	112.6	S846 R850 K853	S846-D848 PolarHBondContact O-N 3.27Å; D848-R850 VanDerWaalsContact CG-NE 3.33Å; D848-R850 PolarHBondContact O-N 2.97Å; D848-R850 WeakPolarHBondContact OD1-CB 3.48Å; D848-R850 PolarHBondContact OD1-N 3.38Å; D848-R850 IonicContact OD1-NE 3.98Å; D848-R850 PolarHBondContact OD1-NE 3.18Å; D848-R850 IonicContact OD2-CZ 3.21Å; D848-R850 VanDerWaalsContact OD2-CZ 3.24Å; D848-R850 IonicContact OD2-NE 3.81Å; D848-R850 PolarHBondContact OD2-NE 3.05Å; D848-R850 IonicContact OD2-NH2 2.67Å; D848-R850 PolarHBondContact OD2-NH2 2.94Å; D848-K853 WeakPolarHBondContact OD1-CD 3.45Å; D848-K853 IonicContact OD1-NZ 3.92Å; D848-K853 WeakPolarHBondContact OD2-CD 3.15Å; D848-K853 WeakPolarHBondContact OD2-CE 3.44Å; D848-K853 IonicContact OD2-NZ 3.1Å; D848-K853 PolarHBondContact OD2-NZ 3.49Å
849	R	79.7	Confident	88.9	Confident	225 Å²	225	64.8 Å²	64.8	85%	0.849	32%	0.316	S	S	*	.			trans	57	8.5	-178.9	-56.6	-176.9	-179.7	-177.3	0.7	115.8	S846 Q851	S846-R849 PolarHBondContact O-N 3.23Å; S846-R849 VanDerWaalsContact OG-C 3.25Å; S846-R849 WeakPolarHBondContact OG-CA 3.42Å; R849-Q851 PolarHBondContact O-N 3.46Å
850	R	84.6	Confident	88.8	Confident	132 Å²	132	72.9 Å²	72.9	50%	0.498	35%	0.345	S	S	.	.			trans	-69.1	131	178	-70.3	-169.6	-76.5	-179.9	-16.3	112	S846 D848 S852 K853 L854	S846-R850 WeakPolarHBondContact CB-O 3.26Å; S846-R850 PolarHBondContact OG-N 3.17Å; S846-R850 PolarHBondContact OG-O 2.84Å; D848-R850 VanDerWaalsContact CG-NE 3.33Å; D848-R850 PolarHBondContact O-N 2.97Å; D848-R850 WeakPolarHBondContact OD1-CB 3.48Å; D848-R850 PolarHBondContact OD1-N 3.38Å; D848-R850 IonicContact OD1-NE 3.98Å; D848-R850 PolarHBondContact OD1-NE 3.18Å; D848-R850 IonicContact OD2-CZ 3.21Å; D848-R850 VanDerWaalsContact OD2-CZ 3.24Å; D848-R850 IonicContact OD2-NE 3.81Å; D848-R850 PolarHBondContact OD2-NE 3.05Å; D848-R850 IonicContact OD2-NH2 2.67Å; D848-R850 PolarHBondContact OD2-NH2 2.94Å; R850-S852 VanDerWaalsContact C-N 3.33Å; R850-S852 PolarHBondContact O-N 2.96Å; R850-K853 PolarHBondContact O-N 2.74Å; R850-L854 PolarHBondContact O-N 2.93Å
851	Q	86.4	Confident	88.8	Confident	107 Å²	107	72 Å²	72	50%	0.5	34%	0.335	S	S	.	.	H	α-helix	trans	-63.4	-35.6	176.7	-70.3	-176.7	-7.7	0	0	112.6	R849 K853 L854 F855	R849-Q851 PolarHBondContact O-N 3.46Å; Q851-K853 PolarHBondContact O-N 2.88Å; Q851-L854 WeakPolarHBondContact O-CB 3.46Å; Q851-L854 PolarHBondContact O-N 2.74Å; Q851-L854 VanDerWaalsContact O-N 3.16Å; Q851-F855 HydrophobicContact CB-CE2 4.14Å; Q851-F855 HydrophobicContact CB-CZ 4.43Å; Q851-F855 WeakPolarHBondContact O-CD2 3.46Å; Q851-F855 VanDerWaalsContact O-CG 3.29Å; Q851-F855 WeakPolarHBondContact O-CG 3.38Å; Q851-F855 PolarHBondContact O-N 2.74Å
852	S	88.1	Confident	88.8	Confident	63 Å²	63	77.3 Å²	77.3	44%	0.441	36%	0.36	S	S	.	.	H	α-helix	trans	-58.5	-48.8	178	53.5	0	0	0	0	112.4	R850 L854 F855 E856	R850-S852 VanDerWaalsContact C-N 3.33Å; R850-S852 PolarHBondContact O-N 2.96Å; S852-L854 VanDerWaalsContact C-N 3.32Å; S852-L854 PolarHBondContact O-N 3.33Å; S852-F855 PolarHBondContact O-N 3.5Å; S852-E856 WeakPolarHBondContact O-CG 3.47Å; S852-E856 PolarHBondContact O-N 2.86Å
853	K	88.7	Confident	88.8	Confident	76 Å²	76	78.2 Å²	78.2	33%	0.33	36%	0.362	S	S	.	.	H	α-helix	trans	-62.7	-35.5	174.9	-86.4	178.9	165.4	-173.3	0	113.1	D848 R850 Q851 S857	D848-K853 WeakPolarHBondContact OD1-CD 3.45Å; D848-K853 IonicContact OD1-NZ 3.92Å; D848-K853 WeakPolarHBondContact OD2-CD 3.15Å; D848-K853 WeakPolarHBondContact OD2-CE 3.44Å; D848-K853 IonicContact OD2-NZ 3.1Å; D848-K853 PolarHBondContact OD2-NZ 3.49Å; R850-K853 PolarHBondContact O-N 2.74Å; Q851-K853 PolarHBondContact O-N 2.88Å; K853-S857 WeakPolarHBondContact O-CB 3.23Å; K853-S857 PolarHBondContact O-N 2.96Å
854	L	89.9	Confident	88.8	Confident	18 Å²	18	80.7 Å²	80.7	9%	0.094	38%	0.376	C	S	.	.	H	α-helix	trans	-63.6	-47.4	173.5	176.4	62.1	0	0	0	110.5	P808 F844 R850 Q851 S852 E856 S857 I858	P808-L854 HydrophobicContact CB-CD2 4.23Å; F844-L854 HydrophobicContact CB-CD1 3.92Å; F844-L854 WeakPolarHBondContact O-CD1 3.45Å; R850-L854 PolarHBondContact O-N 2.93Å; Q851-L854 WeakPolarHBondContact O-CB 3.46Å; Q851-L854 PolarHBondContact O-N 2.74Å; Q851-L854 VanDerWaalsContact O-N 3.16Å; S852-L854 VanDerWaalsContact C-N 3.32Å; S852-L854 PolarHBondContact O-N 3.33Å; L854-E856 PolarHBondContact O-N 3.21Å; L854-S857 WeakPolarHBondContact O-CB 3.48Å; L854-S857 PolarHBondContact O-N 3.02Å; L854-S857 VanDerWaalsContact O-N 3.16Å; L854-I858 HydrophobicContact CD1-CD1 3.99Å; L854-I858 HydrophobicContact CD1-CG1 4.32Å; L854-I858 HydrophobicContact CG-CD1 3.93Å; L854-I858 WeakPolarHBondContact O-CG1 3.49Å; L854-I858 PolarHBondContact O-N 3.47Å
855	F	92.1	Very high	88.9	Confident	53 Å²	53	83.1 Å²	83.1	23%	0.232	39%	0.387	C	S	.	.	H	α-helix	trans	-67	-32.4	178	-62.2	-27.1	0	0	0	113.5	P808 I811 L816 Q851 S852 K859	P808-F855 HydrophobicContact CB-CE1 3.9Å; P808-F855 HydrophobicContact CB-CZ 4.23Å; P808-F855 HydrophobicContact CG-CZ 4.45Å; I811-F855 HydrophobicContact CG2-CE1 4.28Å; L816-F855 HydrophobicContact CD1-CB 3.92Å; L816-F855 HydrophobicContact CD1-CD1 3.65Å; L816-F855 HydrophobicContact CD1-CE1 4.49Å; L816-F855 HydrophobicContact CD1-CG 4.04Å; L816-F855 HydrophobicContact CD2-CB 4.39Å; L816-F855 HydrophobicContact CD2-CD1 3.59Å; L816-F855 HydrophobicContact CD2-CD2 4.29Å; L816-F855 HydrophobicContact CD2-CE1 3.82Å; L816-F855 HydrophobicContact CD2-CE2 4.48Å; L816-F855 HydrophobicContact CD2-CG 3.85Å; L816-F855 HydrophobicContact CD2-CZ 4.26Å; L816-F855 HydrophobicContact CG-CD1 4.29Å; Q851-F855 HydrophobicContact CB-CE2 4.14Å; Q851-F855 HydrophobicContact CB-CZ 4.43Å; Q851-F855 WeakPolarHBondContact O-CD2 3.46Å; Q851-F855 VanDerWaalsContact O-CG 3.29Å; Q851-F855 WeakPolarHBondContact O-CG 3.38Å; Q851-F855 PolarHBondContact O-N 2.74Å; S852-F855 PolarHBondContact O-N 3.5Å; F855-K859 WeakPolarHBondContact O-CB 3.49Å; F855-K859 WeakPolarHBondContact O-CE 3.19Å; F855-K859 WeakPolarHBondContact O-CG 3.25Å; F855-K859 PolarHBondContact O-N 3.01Å
856	E	91.8	Very high	89.4	Confident	87 Å²	87	79.6 Å²	79.6	41%	0.407	38%	0.38	S	S	.	.	H	α-helix	trans	-65.6	-43.8	168.3	-75.5	176.9	-132.4	0	0	111.8	S852 L854 K859 R860	S852-E856 WeakPolarHBondContact O-CG 3.47Å; S852-E856 PolarHBondContact O-N 2.86Å; L854-E856 PolarHBondContact O-N 3.21Å; E856-K859 PolarHBondContact O-N 2.69Å; E856-R860 WeakPolarHBondContact O-CB 3.28Å; E856-R860 VanDerWaalsContact O-CG 3.25Å; E856-R860 WeakPolarHBondContact O-CG 3.31Å; E856-R860 PolarHBondContact O-N 3.4Å; E856-R860 IonicContact OE2-NH2 3.45Å; E856-R860 PolarHBondContact OE2-NH2 2.84Å
857	S	91.8	Very high	89.9	Confident	32 Å²	32	82.5 Å²	82.5	22%	0.224	40%	0.4	C	S	.	.	H	α-helix	trans	-62.6	-43.4	177.9	-164.9	0	0	0	0	111.8	K853 L854 R860 G861	K853-S857 WeakPolarHBondContact O-CB 3.23Å; K853-S857 PolarHBondContact O-N 2.96Å; L854-S857 WeakPolarHBondContact O-CB 3.48Å; L854-S857 PolarHBondContact O-N 3.02Å; L854-S857 VanDerWaalsContact O-N 3.16Å; S857-R860 PolarHBondContact O-N 3.36Å; S857-G861 PolarHBondContact O-N 3.37Å
858	I	93.1	Very high	90.7	Very high	0 Å²	0	80.5 Å²	80.5	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-63.1	-48.1	176.9	-70.9	169.1	0	0	0	110.6	P808 I811 P813 L816 W828 F844 L854 R860 G861 I887	P808-I858 WeakPolarHBondContact O-CD1 3.4Å; I811-I858 HydrophobicContact CG2-CD1 4.02Å; P813-I858 HydrophobicContact CB-CG2 4.29Å; L816-I858 HydrophobicContact CD1-CB 3.94Å; L816-I858 HydrophobicContact CD1-CD1 4.37Å; L816-I858 HydrophobicContact CD1-CG2 3.59Å; W828-I858 HydrophobicContact CZ2-CG2 3.91Å; F844-I858 HydrophobicContact CB-CG1 3.75Å; F844-I858 HydrophobicContact CD2-CG1 3.9Å; F844-I858 HydrophobicContact CG-CG1 3.81Å; L854-I858 HydrophobicContact CD1-CD1 3.99Å; L854-I858 HydrophobicContact CD1-CG1 4.32Å; L854-I858 HydrophobicContact CG-CD1 3.93Å; L854-I858 WeakPolarHBondContact O-CG1 3.49Å; L854-I858 PolarHBondContact O-N 3.47Å; I858-R860 VanDerWaalsContact C-N 3.31Å; I858-R860 PolarHBondContact O-N 3.34Å; I858-G861 PolarHBondContact O-N 2.82Å; I858-I887 WeakPolarHBondContact O-CD1 3.28Å
859	K	92.3	Very high	91.3	Very high	85 Å²	85	83.6 Å²	83.6	37%	0.37	40%	0.397	S	S	.	.	H	α-helix	trans	-67.5	-26.7	179.3	-75.9	-172.6	-76.7	-165.1	0	114.2	P813 L816 E817 F855 E856 G861	P813-K859 HydrophobicContact CB-CG 4.41Å; L816-K859 HydrophobicContact CB-CD 3.77Å; L816-K859 HydrophobicContact CB-CG 3.91Å; L816-K859 HydrophobicContact CD1-CG 4.28Å; L816-K859 PolarHBondContact O-NZ 2.88Å; E817-K859 HydrophobicContact CG-CD 3.76Å; E817-K859 HydrophobicContact CG-CG 4.27Å; F855-K859 WeakPolarHBondContact O-CB 3.49Å; F855-K859 WeakPolarHBondContact O-CE 3.19Å; F855-K859 WeakPolarHBondContact O-CG 3.25Å; F855-K859 PolarHBondContact O-N 3.01Å; E856-K859 PolarHBondContact O-N 2.69Å; K859-G861 VanDerWaalsContact C-N 3.32Å
860	R	92.8	Very high	92.1	Very high	181 Å²	181	73 Å²	73	68%	0.683	36%	0.357	S	S	*	.	H	α-helix	trans	-74.3	-22	170.4	-70.2	174.9	-157.4	-162.1	8.9	112.8	E856 S857 I858 H862	E856-R860 WeakPolarHBondContact O-CB 3.28Å; E856-R860 VanDerWaalsContact O-CG 3.25Å; E856-R860 WeakPolarHBondContact O-CG 3.31Å; E856-R860 PolarHBondContact O-N 3.4Å; E856-R860 IonicContact OE2-NH2 3.45Å; E856-R860 PolarHBondContact OE2-NH2 2.84Å; S857-R860 PolarHBondContact O-N 3.36Å; I858-R860 VanDerWaalsContact C-N 3.31Å; I858-R860 PolarHBondContact O-N 3.34Å; R860-H862 PolarHBondContact O-N 2.87Å
861	G	91.5	Very high	92.6	Very high	13 Å²	13	70.8 Å²	70.8	13%	0.134	36%	0.355	C	S	.	.			trans	67.2	-5	179.5	0	0	0	0	0	115.5	S857 I858 K859 F863 I887	S857-G861 PolarHBondContact O-N 3.37Å; I858-G861 PolarHBondContact O-N 2.82Å; K859-G861 VanDerWaalsContact C-N 3.32Å; G861-F863 WeakPolarHBondContact O-CD1 3.22Å; G861-F863 PolarHBondContact O-N 2.88Å; G861-I887 VanDerWaalsContact CA-CD1 3.44Å
862	H	91.4	Very high	93	Very high	138 Å²	138	73.1 Å²	73.1	64%	0.639	37%	0.371	S	S	*	.			trans	-76.7	108.6	-178.4	-175.3	76.1	0	0	0	110.8	R860	R860-H862 PolarHBondContact O-N 2.87Å
863	F	94.3	Very high	93.4	Very high	32 Å²	32	71 Å²	71	14%	0.14	35%	0.354	C	S	.	.			trans	-122.5	164.3	167.8	69	-84.1	0	0	0	109.4	Y835 P843 F844 G861 F865 I881 L885	Y835-F863 HydrophobicContact CD2-CD2 4.43Å; Y835-F863 HydrophobicContact CE2-CD2 4.18Å; P843-F863 HydrophobicContact CB-CB 3.86Å; P843-F863 HydrophobicContact CB-CD2 4.47Å; P843-F863 HydrophobicContact CB-CG 4.31Å; F844-F863 HydrophobicContact CD1-CB 4.43Å; F844-F863 HydrophobicContact CE1-CB 3.84Å; F844-F863 HydrophobicContact CE1-CD1 4.39Å; F844-F863 HydrophobicContact CZ-CB 4.07Å; F844-F863 AromaticContact CZ-CD1 3.95Å; F844-F863 HydrophobicContact CZ-CD1 3.95Å; F844-F863 HydrophobicContact CZ-CG 4.4Å; G861-F863 WeakPolarHBondContact O-CD1 3.22Å; G861-F863 PolarHBondContact O-N 2.88Å; F863-F865 AromaticContact CE2-CE1 3.9Å; F863-F865 HydrophobicContact CE2-CE1 3.9Å; F863-F865 HydrophobicContact CE2-CE2 4.02Å; F863-F865 AromaticContact CE2-CZ 3.61Å; F863-F865 HydrophobicContact CE2-CZ 3.61Å; F863-F865 HydrophobicContact CZ-CZ 4.29Å; F863-I881 HydrophobicContact CE2-CG2 4.03Å; F863-I881 HydrophobicContact CZ-CG2 4.16Å; F863-L885 HydrophobicContact CD1-CB 4.23Å; F863-L885 HydrophobicContact CD1-CD1 4.04Å; F863-L885 HydrophobicContact CD2-CD1 4.47Å; F863-L885 HydrophobicContact CE1-CB 3.57Å; F863-L885 HydrophobicContact CE1-CD1 3.88Å; F863-L885 HydrophobicContact CE1-CG 4.36Å; F863-L885 HydrophobicContact CE2-CD1 4.31Å; F863-L885 HydrophobicContact CG-CD1 4.36Å; F863-L885 HydrophobicContact CZ-CB 4.09Å; F863-L885 HydrophobicContact CZ-CD1 4.02Å
864	V	94.6	Very high	93.7	Very high	70 Å²	70	68.6 Å²	68.6	42%	0.424	35%	0.347	S	S	.	.			trans	-138.5	136.5	-176.8	-75.4	0	0	0	0	111.4	Y835 L866	Y835-V864 PolarHBondContact OH-O 2.9Å; Y835-V864 VanDerWaalsContact OH-O 3.14Å; V864-L866 VanDerWaalsContact C-N 3.33Å; V864-L866 HydrophobicContact CB-CD2 4.41Å; V864-L866 HydrophobicContact CG2-CD2 3.55Å; V864-L866 HydrophobicContact CG2-CG 4.04Å; V864-L866 PolarHBondContact O-N 2.89Å
865	F	96.7	Very high	94	Very high	57 Å²	57	71.6 Å²	71.6	25%	0.25	37%	0.37	C	S	.	.			trans	-76.6	81.2	174.2	-63.1	-63.7	0	0	0	110.3	Y835 F863 S867 W870 K878 I881	Y835-F865 HydrophobicContact CD2-CD1 4.33Å; Y835-F865 HydrophobicContact CD2-CE1 4.12Å; Y835-F865 AromaticContact CE2-CD1 3.9Å; Y835-F865 HydrophobicContact CE2-CD1 3.9Å; Y835-F865 HydrophobicContact CE2-CE1 4.14Å; F863-F865 AromaticContact CE2-CE1 3.9Å; F863-F865 HydrophobicContact CE2-CE1 3.9Å; F863-F865 HydrophobicContact CE2-CE2 4.02Å; F863-F865 AromaticContact CE2-CZ 3.61Å; F863-F865 HydrophobicContact CE2-CZ 3.61Å; F863-F865 HydrophobicContact CZ-CZ 4.29Å; F865-S867 PolarHBondContact O-N 3.22Å; F865-W870 HydrophobicContact CB-CB 3.83Å; F865-W870 HydrophobicContact CB-CD2 4.12Å; F865-W870 HydrophobicContact CB-CG 3.76Å; F865-W870 AromaticContact CD1-CD2 3.54Å; F865-W870 HydrophobicContact CD1-CD2 3.54Å; F865-W870 AromaticContact CD1-CE2 3.85Å; F865-W870 AromaticContact CD1-CE3 3.5Å; F865-W870 HydrophobicContact CD1-CE3 3.5Å; F865-W870 HydrophobicContact CD1-CG 4.12Å; F865-W870 HydrophobicContact CD1-CH2 4.18Å; F865-W870 HydrophobicContact CD1-CZ2 4.19Å; F865-W870 AromaticContact CD1-CZ3 3.82Å; F865-W870 HydrophobicContact CD1-CZ3 3.82Å; F865-W870 HydrophobicContact CE1-CD2 4.42Å; F865-W870 HydrophobicContact CE1-CE3 4.05Å; F865-W870 HydrophobicContact CE1-CH2 4.17Å; F865-W870 AromaticContact CE1-CZ3 3.89Å; F865-W870 HydrophobicContact CE1-CZ3 3.89Å; F865-W870 HydrophobicContact CG-CD2 4.27Å; F865-W870 HydrophobicContact CG-CE3 4.32Å; F865-W870 HydrophobicContact CG-CG 4.43Å; F865-K878 HydrophobicContact CD1-CG 4.06Å; F865-K878 HydrophobicContact CD2-CB 4.2Å; F865-K878 HydrophobicContact CD2-CG 4.06Å; F865-K878 HydrophobicContact CE1-CB 4.22Å; F865-K878 HydrophobicContact CE1-CG 4Å; F865-K878 HydrophobicContact CE2-CB 3.72Å; F865-K878 HydrophobicContact CE2-CG 4.03Å; F865-K878 HydrophobicContact CG-CG 4.07Å; F865-K878 HydrophobicContact CZ-CB 3.71Å; F865-K878 HydrophobicContact CZ-CG 3.99Å; F865-K878 WeakPolarHBondContact CZ-O 3.47Å; F865-I881 HydrophobicContact CE1-CB 4.26Å; F865-I881 HydrophobicContact CE1-CD1 4.28Å; F865-I881 HydrophobicContact CE1-CG2 4.01Å; F865-I881 HydrophobicContact CZ-CB 4.19Å; F865-I881 HydrophobicContact CZ-CG2 4.09Å
866	L	94.7	Very high	94.2	Very high	83 Å²	83	71 Å²	71	44%	0.435	37%	0.368	S	S	.	.			trans	-62.3	124.6	-172.5	-64.6	176	0	0	0	113.8	F841 V864 Y869 W870	F841-L866 HydrophobicContact CE2-CD1 4.17Å; F841-L866 HydrophobicContact CZ-CB 4.31Å; F841-L866 HydrophobicContact CZ-CD1 4.02Å; V864-L866 VanDerWaalsContact C-N 3.33Å; V864-L866 HydrophobicContact CB-CD2 4.41Å; V864-L866 HydrophobicContact CG2-CD2 3.55Å; V864-L866 HydrophobicContact CG2-CG 4.04Å; V864-L866 PolarHBondContact O-N 2.89Å; L866-Y869 HydrophobicContact CB-CD2 4.32Å; L866-Y869 WeakPolarHBondContact O-CB 3.34Å; L866-Y869 PolarHBondContact O-N 2.96Å; L866-Y869 VanDerWaalsContact O-N 3.1Å; L866-W870 PolarHBondContact O-N 3.48Å; L866-W870 VanDerWaalsContact O-N 3.15Å
867	S	94.3	Very high	94.4	Very high	83 Å²	83	66.9 Å²	66.9	58%	0.58	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	148.6	161.1	-57.2	0	0	0	0	111.3	F865 Y869 D871	F865-S867 PolarHBondContact O-N 3.22Å; S867-Y869 VanDerWaalsContact C-N 3.33Å; S867-D871 VanDerWaalsContact CA-OD1 3.29Å; S867-D871 WeakPolarHBondContact CA-OD1 3.37Å; S867-D871 WeakPolarHBondContact CB-OD1 3.31Å; S867-D871 PolarHBondContact OG-OD1 2.95Å
868	P	94.7	Very high	94.7	Very high	93 Å²	93	67.8 Å²	67.8	60%	0.604	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.2	-2.5	-3.4	35.1	-36.3	0	0	0	113.8	W870 D871	P868-W870 VanDerWaalsContact C-N 3.29Å; P868-W870 PolarHBondContact O-N 3.27Å; P868-D871 WeakPolarHBondContact CA-OD2 3.48Å; P868-D871 PolarHBondContact O-N 3.23Å
869	Y	93.9	Very high	94.9	Very high	127 Å²	127	72 Å²	72	50%	0.498	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.6	-169.4	-54	-85.9	0	0	0	113.6	F841 L866 S867	F841-Y869 HydrophobicContact CE1-CD1 4.03Å; F841-Y869 AromaticContact CE1-CD2 3.82Å; F841-Y869 HydrophobicContact CE1-CD2 3.82Å; F841-Y869 HydrophobicContact CE1-CE1 4.46Å; F841-Y869 HydrophobicContact CE1-CE2 4.27Å; F841-Y869 AromaticContact CE1-CG 3.69Å; F841-Y869 HydrophobicContact CE1-CG 3.69Å; F841-Y869 HydrophobicContact CZ-CD2 4.24Å; F841-Y869 HydrophobicContact CZ-CG 4.45Å; L866-Y869 HydrophobicContact CB-CD2 4.32Å; L866-Y869 WeakPolarHBondContact O-CB 3.34Å; L866-Y869 PolarHBondContact O-N 2.96Å; L866-Y869 VanDerWaalsContact O-N 3.1Å; S867-Y869 VanDerWaalsContact C-N 3.33Å
870	W	96.4	Very high	95.2	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.008	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-4.2	-175.8	-74.5	91.5	0	0	0	114.5	Y835 L838 C839 F865 L866 P868 N872 I873 K878 I881	Y835-W870 HydrophobicContact CD1-CZ2 4.01Å; Y835-W870 AromaticContact CD2-CH2 3.88Å; Y835-W870 HydrophobicContact CD2-CH2 3.88Å; Y835-W870 AromaticContact CD2-CZ2 3.36Å; Y835-W870 HydrophobicContact CD2-CZ2 3.36Å; Y835-W870 HydrophobicContact CE1-CZ2 4.05Å; Y835-W870 AromaticContact CE2-CE2 3.63Å; Y835-W870 HydrophobicContact CE2-CH2 4.25Å; Y835-W870 AromaticContact CE2-CZ2 3.4Å; Y835-W870 HydrophobicContact CE2-CZ2 3.4Å; Y835-W870 AromaticContact CE2-NE1 3.69Å; Y835-W870 HydrophobicContact CG-CH2 4.22Å; Y835-W870 AromaticContact CG-CZ2 3.67Å; Y835-W870 HydrophobicContact CG-CZ2 3.67Å; Y835-W870 AromaticContact CZ-CE2 3.78Å; Y835-W870 AromaticContact CZ-CZ2 3.73Å; Y835-W870 AromaticContact CZ-NE1 3.42Å; Y835-W870 PolarHBondContact OH-NE1 2.97Å; L838-W870 HydrophobicContact CB-CH2 3.75Å; L838-W870 HydrophobicContact CB-CZ2 4.37Å; L838-W870 HydrophobicContact CB-CZ3 4.18Å; L838-W870 HydrophobicContact CD1-CH2 4.05Å; L838-W870 HydrophobicContact CD1-CZ3 4.03Å; C839-W870 HydrophobicContact CB-CZ2 3.83Å; F865-W870 HydrophobicContact CB-CB 3.83Å; F865-W870 HydrophobicContact CB-CD2 4.12Å; F865-W870 HydrophobicContact CB-CG 3.76Å; F865-W870 AromaticContact CD1-CD2 3.54Å; F865-W870 HydrophobicContact CD1-CD2 3.54Å; F865-W870 AromaticContact CD1-CE2 3.85Å; F865-W870 AromaticContact CD1-CE3 3.5Å; F865-W870 HydrophobicContact CD1-CE3 3.5Å; F865-W870 HydrophobicContact CD1-CG 4.12Å; F865-W870 HydrophobicContact CD1-CH2 4.18Å; F865-W870 HydrophobicContact CD1-CZ2 4.19Å; F865-W870 AromaticContact CD1-CZ3 3.82Å; F865-W870 HydrophobicContact CD1-CZ3 3.82Å; F865-W870 HydrophobicContact CE1-CD2 4.42Å; F865-W870 HydrophobicContact CE1-CE3 4.05Å; F865-W870 HydrophobicContact CE1-CH2 4.17Å; F865-W870 AromaticContact CE1-CZ3 3.89Å; F865-W870 HydrophobicContact CE1-CZ3 3.89Å; F865-W870 HydrophobicContact CG-CD2 4.27Å; F865-W870 HydrophobicContact CG-CE3 4.32Å; F865-W870 HydrophobicContact CG-CG 4.43Å; L866-W870 PolarHBondContact O-N 3.48Å; L866-W870 VanDerWaalsContact O-N 3.15Å; P868-W870 VanDerWaalsContact C-N 3.29Å; P868-W870 PolarHBondContact O-N 3.27Å; W870-N872 VanDerWaalsContact C-N 3.35Å; W870-N872 PolarHBondContact O-N 3Å; W870-I873 HydrophobicContact CE3-CB 3.82Å; W870-I873 HydrophobicContact CE3-CG1 4.05Å; W870-I873 HydrophobicContact CE3-CG2 3.64Å; W870-I873 HydrophobicContact CZ3-CB 4.31Å; W870-I873 HydrophobicContact CZ3-CG2 3.64Å; W870-I873 PolarHBondContact O-N 3.22Å; W870-I873 VanDerWaalsContact O-N 3.13Å; W870-K878 HydrophobicContact CE3-CG 4.08Å; W870-K878 HydrophobicContact CZ3-CG 4.38Å; W870-K878 WeakPolarHBondContact O-CE 3.39Å; W870-K878 PolarHBondContact O-NZ 3.19Å; W870-I881 HydrophobicContact CH2-CD1 3.44Å; W870-I881 VanDerWaalsContact CH2-CD1 3.44Å; W870-I881 HydrophobicContact CZ3-CD1 3.81Å
871	D	95.9	Very high	95.5	Very high	87 Å²	87	59.3 Å²	59.3	47%	0.465	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-45	-172.6	-62.1	-4.5	0	0	0	111	S867 P868 I873	S867-D871 VanDerWaalsContact CA-OD1 3.29Å; S867-D871 WeakPolarHBondContact CA-OD1 3.37Å; S867-D871 WeakPolarHBondContact CB-OD1 3.31Å; S867-D871 PolarHBondContact OG-OD1 2.95Å; P868-D871 WeakPolarHBondContact CA-OD2 3.48Å; P868-D871 PolarHBondContact O-N 3.23Å; D871-I873 VanDerWaalsContact C-N 3.29Å; D871-I873 PolarHBondContact O-N 3.1Å
872	N	93.8	Very high	95.8	Very high	156 Å²	156	61.9 Å²	61.9	83%	0.834	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	16.8	178.7	-62.6	-32.6	0	0	0	114	W870	W870-N872 VanDerWaalsContact C-N 3.35Å; W870-N872 PolarHBondContact O-N 3Å
873	I	95.8	Very high	96.1	Very high	17 Å²	17	56.5 Å²	56.5	9%	0.087	31%	0.313	C	S	.	.	S	Bend	trans	-103.7	135.9	176.1	-59.3	-63.7	0	0	0	109.7	E742 L838 W870 D871 A877 K878	E742-I873 HydrophobicContact CG-CD1 4.37Å; E742-I873 WeakPolarHBondContact OE1-CA 3.49Å; L838-I873 HydrophobicContact CB-CD1 4.44Å; L838-I873 HydrophobicContact CD1-CG2 4.14Å; W870-I873 HydrophobicContact CE3-CB 3.82Å; W870-I873 HydrophobicContact CE3-CG1 4.05Å; W870-I873 HydrophobicContact CE3-CG2 3.64Å; W870-I873 HydrophobicContact CZ3-CB 4.31Å; W870-I873 HydrophobicContact CZ3-CG2 3.64Å; W870-I873 PolarHBondContact O-N 3.22Å; W870-I873 VanDerWaalsContact O-N 3.13Å; D871-I873 VanDerWaalsContact C-N 3.29Å; D871-I873 PolarHBondContact O-N 3.1Å; I873-A877 HydrophobicContact CG2-CB 3.69Å; I873-K878 VanDerWaalsContact O-CE 3.26Å; I873-K878 WeakPolarHBondContact O-CE 3.33Å; I873-K878 PolarHBondContact O-NZ 3.47Å
874	S	96.1	Very high	96.3	Very high	26 Å²	26	55 Å²	55	18%	0.182	31%	0.307	C	S	.	.			trans	-60.8	154.6	-172.3	76.7	0	0	0	0	114.2	E742 H876 A877 K878	E742-S874 PolarHBondContact OE1-N 3.2Å; E742-S874 VanDerWaalsContact OE2-CB 3.23Å; E742-S874 WeakPolarHBondContact OE2-CB 3.06Å; E742-S874 PolarHBondContact OE2-OG 2.78Å; S874-H876 VanDerWaalsContact C-N 3.27Å; S874-H876 PolarHBondContact O-N 2.86Å; S874-A877 PolarHBondContact O-N 2.76Å; S874-A877 PolarHBondContact OG-N 2.83Å; S874-A877 VanDerWaalsContact OG-N 3.1Å; S874-K878 WeakPolarHBondContact O-CG 2.98Å; S874-K878 PolarHBondContact O-N 3.03Å
875	S	95.5	Very high	96.5	Very high	82 Å²	82	52 Å²	52	57%	0.573	29%	0.288	S	S	*	.	H	α-helix	trans	-56.7	-42.4	169.7	47.2	0	0	0	0	111.5	A877 K878 D879	S875-A877 VanDerWaalsContact C-N 3.34Å; S875-A877 PolarHBondContact O-N 3.48Å; S875-K878 WeakPolarHBondContact O-CB 3.07Å; S875-K878 PolarHBondContact O-N 2.79Å; S875-K878 VanDerWaalsContact O-N 3.16Å; S875-D879 WeakPolarHBondContact O-CB 3.47Å; S875-D879 PolarHBondContact O-N 2.98Å
876	H	96.1	Very high	96.5	Very high	40 Å²	40	51.2 Å²	51.2	19%	0.185	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-31.5	-179.1	-58.8	106.2	0	0	0	113.6	S874 L880 H901 W903	S874-H876 VanDerWaalsContact C-N 3.27Å; S874-H876 PolarHBondContact O-N 2.86Å; H876-L880 WeakPolarHBondContact O-CB 3.39Å; H876-L880 PolarHBondContact O-N 3.24Å; H876-L880 VanDerWaalsContact O-N 3.15Å; H876-H901 PolarHBondContact O-CE1 2.98Å; H876-W903 HydrophobicContact CB-CB 3.92Å; H876-W903 HydrophobicContact CB-CG 4.33Å
877	A	97.6	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.2	-43.8	171	0	0	0	0	0	111.9	L838 I873 S874 S875 I881 W903	L838-A877 HydrophobicContact CD1-CB 3.88Å; I873-A877 HydrophobicContact CG2-CB 3.69Å; S874-A877 PolarHBondContact O-N 2.76Å; S874-A877 PolarHBondContact OG-N 2.83Å; S874-A877 VanDerWaalsContact OG-N 3.1Å; S875-A877 VanDerWaalsContact C-N 3.34Å; S875-A877 PolarHBondContact O-N 3.48Å; A877-I881 WeakPolarHBondContact O-CG1 3.45Å; A877-I881 PolarHBondContact O-N 3.23Å; A877-I881 VanDerWaalsContact O-N 3.12Å; A877-W903 HydrophobicContact CB-CD2 4.36Å; A877-W903 HydrophobicContact CB-CG 4.46Å; A877-W903 HydrophobicContact CB-CZ2 4.09Å
878	K	98	Very high	96.7	Very high	51 Å²	51	49.1 Å²	49.1	22%	0.222	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-41.1	178.7	-69.2	161.4	177.1	158.8	0	111.4	F865 W870 I873 S874 S875 I881 T882	F865-K878 HydrophobicContact CD1-CG 4.06Å; F865-K878 HydrophobicContact CD2-CB 4.2Å; F865-K878 HydrophobicContact CD2-CG 4.06Å; F865-K878 HydrophobicContact CE1-CB 4.22Å; F865-K878 HydrophobicContact CE1-CG 4Å; F865-K878 HydrophobicContact CE2-CB 3.72Å; F865-K878 HydrophobicContact CE2-CG 4.03Å; F865-K878 HydrophobicContact CG-CG 4.07Å; F865-K878 HydrophobicContact CZ-CB 3.71Å; F865-K878 HydrophobicContact CZ-CG 3.99Å; F865-K878 WeakPolarHBondContact CZ-O 3.47Å; W870-K878 HydrophobicContact CE3-CG 4.08Å; W870-K878 HydrophobicContact CZ3-CG 4.38Å; W870-K878 WeakPolarHBondContact O-CE 3.39Å; W870-K878 PolarHBondContact O-NZ 3.19Å; I873-K878 VanDerWaalsContact O-CE 3.26Å; I873-K878 WeakPolarHBondContact O-CE 3.33Å; I873-K878 PolarHBondContact O-NZ 3.47Å; S874-K878 WeakPolarHBondContact O-CG 2.98Å; S874-K878 PolarHBondContact O-N 3.03Å; S875-K878 WeakPolarHBondContact O-CB 3.07Å; S875-K878 PolarHBondContact O-N 2.79Å; S875-K878 VanDerWaalsContact O-N 3.16Å; K878-I881 PolarHBondContact O-N 3.2Å; K878-T882 WeakPolarHBondContact O-CB 3.32Å; K878-T882 PolarHBondContact O-N 3.38Å; K878-T882 PolarHBondContact O-OG1 2.97Å
879	D	97.4	Very high	96.7	Very high	88 Å²	88	46.6 Å²	46.6	47%	0.471	26%	0.257	S	S	.	.	H	α-helix	trans	-60.1	-51.7	175.1	-173.2	44.1	0	0	0	111.3	S875 I881 T882 A883 H901	S875-D879 WeakPolarHBondContact O-CB 3.47Å; S875-D879 PolarHBondContact O-N 2.98Å; D879-I881 VanDerWaalsContact C-N 3.33Å; D879-I881 PolarHBondContact O-N 2.97Å; D879-T882 WeakPolarHBondContact O-CB 3.28Å; D879-T882 PolarHBondContact O-N 2.97Å; D879-A883 PolarHBondContact O-N 3.03Å; D879-H901 IonicContact OD2-CE1 2.93Å; D879-H901 IonicContact OD2-NE2 2.64Å; D879-H901 PolarHBondContact OD2-NE2 3.36Å
880	L	98.3	Very high	96.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-54.5	-47.8	176.3	176.9	60.4	0	0	0	112.4	V749 H876 T882 A883 L884 L893 T898 H901 W903 V904	V749-L880 HydrophobicContact CG1-CD2 4.31Å; H876-L880 WeakPolarHBondContact O-CB 3.39Å; H876-L880 PolarHBondContact O-N 3.24Å; H876-L880 VanDerWaalsContact O-N 3.15Å; L880-T882 VanDerWaalsContact C-N 3.33Å; L880-A883 PolarHBondContact O-N 3.17Å; L880-L884 HydrophobicContact CD1-CD1 3.87Å; L880-L884 HydrophobicContact CD1-CG 4.16Å; L880-L884 HydrophobicContact CG-CD1 3.9Å; L880-L884 WeakPolarHBondContact O-CB 3.26Å; L880-L884 VanDerWaalsContact O-CG 3.32Å; L880-L884 WeakPolarHBondContact O-CG 2.99Å; L880-L884 PolarHBondContact O-N 3.39Å; L880-L893 HydrophobicContact CD1-CD1 3.8Å; L880-T898 HydrophobicContact CD1-CG2 4.17Å; L880-H901 HydrophobicContact CD1-CB 4.12Å; L880-W903 HydrophobicContact CD2-CD2 4.27Å; L880-W903 HydrophobicContact CD2-CE3 3.38Å; L880-W903 HydrophobicContact CD2-CZ3 3.83Å; L880-V904 HydrophobicContact CD2-CG2 3.64Å
881	I	98.5	Very high	96.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-40.5	179.6	-70.4	167	0	0	0	110.7	T834 Y835 L838 F863 F865 W870 A877 K878 D879 A883 L884 L885	T834-I881 HydrophobicContact CG2-CD1 4.08Å; T834-I881 HydrophobicContact CG2-CG1 3.87Å; Y835-I881 HydrophobicContact CD2-CG2 4.16Å; L838-I881 HydrophobicContact CD1-CD1 4.17Å; F863-I881 HydrophobicContact CE2-CG2 4.03Å; F863-I881 HydrophobicContact CZ-CG2 4.16Å; F865-I881 HydrophobicContact CE1-CB 4.26Å; F865-I881 HydrophobicContact CE1-CD1 4.28Å; F865-I881 HydrophobicContact CE1-CG2 4.01Å; F865-I881 HydrophobicContact CZ-CB 4.19Å; F865-I881 HydrophobicContact CZ-CG2 4.09Å; W870-I881 HydrophobicContact CH2-CD1 3.44Å; W870-I881 VanDerWaalsContact CH2-CD1 3.44Å; W870-I881 HydrophobicContact CZ3-CD1 3.81Å; A877-I881 WeakPolarHBondContact O-CG1 3.45Å; A877-I881 PolarHBondContact O-N 3.23Å; A877-I881 VanDerWaalsContact O-N 3.12Å; K878-I881 PolarHBondContact O-N 3.2Å; D879-I881 VanDerWaalsContact C-N 3.33Å; D879-I881 PolarHBondContact O-N 2.97Å; I881-A883 VanDerWaalsContact C-N 3.32Å; I881-A883 PolarHBondContact O-N 3.25Å; I881-L884 PolarHBondContact O-N 3.39Å; I881-L885 HydrophobicContact CG2-CD1 3.71Å; I881-L885 HydrophobicContact CG2-CG 4.2Å; I881-L885 WeakPolarHBondContact O-CB 3.48Å; I881-L885 WeakPolarHBondContact O-CG 3.25Å; I881-L885 PolarHBondContact O-N 3.4Å
882	T	98.2	Very high	96.8	Very high	68 Å²	68	50.2 Å²	50.2	42%	0.417	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-41.3	177.9	-55.2	0	0	0	0	111.2	K878 D879 L880 L884 L885 V886	K878-T882 WeakPolarHBondContact O-CB 3.32Å; K878-T882 PolarHBondContact O-N 3.38Å; K878-T882 PolarHBondContact O-OG1 2.97Å; D879-T882 WeakPolarHBondContact O-CB 3.28Å; D879-T882 PolarHBondContact O-N 2.97Å; L880-T882 VanDerWaalsContact C-N 3.33Å; T882-L884 VanDerWaalsContact C-N 3.35Å; T882-L885 PolarHBondContact O-N 2.58Å; T882-V886 VanDerWaalsContact O-CG2 3.3Å; T882-V886 WeakPolarHBondContact O-CG2 3.37Å
883	A	98.2	Very high	97	Very high	25 Å²	25	44.4 Å²	44.4	21%	0.207	25%	0.25	C	C	.	.	H	α-helix	trans	-76.7	-16.6	177.5	0	0	0	0	0	113.9	D879 L880 I881 L893	D879-A883 PolarHBondContact O-N 3.03Å; L880-A883 PolarHBondContact O-N 3.17Å; I881-A883 VanDerWaalsContact C-N 3.32Å; I881-A883 PolarHBondContact O-N 3.25Å; A883-L893 HydrophobicContact CB-CD1 3.54Å; A883-L893 HydrophobicContact CB-CD2 4.29Å; A883-L893 HydrophobicContact CB-CG 3.63Å; A883-L893 PolarHBondContact O-N 3.25Å
884	L	98.5	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-89.6	-28.5	170.4	-74.4	171.7	0	0	0	113.8	M827 L830 L880 I881 T882 R892 L893	M827-L884 HydrophobicContact CB-CD2 4.21Å; M827-L884 HydrophobicContact CE-CD2 3.64Å; L830-L884 HydrophobicContact CG-CD1 4.41Å; L880-L884 HydrophobicContact CD1-CD1 3.87Å; L880-L884 HydrophobicContact CD1-CG 4.16Å; L880-L884 HydrophobicContact CG-CD1 3.9Å; L880-L884 WeakPolarHBondContact O-CB 3.26Å; L880-L884 VanDerWaalsContact O-CG 3.32Å; L880-L884 WeakPolarHBondContact O-CG 2.99Å; L880-L884 PolarHBondContact O-N 3.39Å; I881-L884 PolarHBondContact O-N 3.39Å; T882-L884 VanDerWaalsContact C-N 3.35Å; L884-R892 WeakPolarHBondContact O-CD 3.38Å; L884-R892 WeakPolarHBondContact O-CG 3.24Å; L884-L893 HydrophobicContact CD2-CB 4.12Å
885	L	98.3	Very high	97.3	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.037	25%	0.254	C	S	.	.	S	Bend	trans	-98.8	30.8	-178.8	-63.8	-176	0	0	0	113.1	W828 I832 P843 F863 I881 T882	W828-L885 HydrophobicContact CD2-CD2 3.93Å; W828-L885 HydrophobicContact CE3-CD2 4.04Å; W828-L885 HydrophobicContact CG-CD2 4.39Å; W828-L885 HydrophobicContact CZ2-CD2 4.47Å; W828-L885 HydrophobicContact CZ3-CB 4.28Å; W828-L885 HydrophobicContact CZ3-CD2 4.38Å; W828-L885 VanDerWaalsContact CZ3-O 3.32Å; W828-L885 WeakPolarHBondContact CZ3-O 3.49Å; I832-L885 HydrophobicContact CD1-CD1 4.34Å; I832-L885 HydrophobicContact CD1-CD2 3.69Å; I832-L885 HydrophobicContact CG1-CD2 3.98Å; P843-L885 HydrophobicContact CG-CD1 4.21Å; F863-L885 HydrophobicContact CD1-CB 4.23Å; F863-L885 HydrophobicContact CD1-CD1 4.04Å; F863-L885 HydrophobicContact CD2-CD1 4.47Å; F863-L885 HydrophobicContact CE1-CB 3.57Å; F863-L885 HydrophobicContact CE1-CD1 3.88Å; F863-L885 HydrophobicContact CE1-CG 4.36Å; F863-L885 HydrophobicContact CE2-CD1 4.31Å; F863-L885 HydrophobicContact CG-CD1 4.36Å; F863-L885 HydrophobicContact CZ-CB 4.09Å; F863-L885 HydrophobicContact CZ-CD1 4.02Å; I881-L885 HydrophobicContact CG2-CD1 3.71Å; I881-L885 HydrophobicContact CG2-CG 4.2Å; I881-L885 WeakPolarHBondContact O-CB 3.48Å; I881-L885 WeakPolarHBondContact O-CG 3.25Å; I881-L885 PolarHBondContact O-N 3.4Å; T882-L885 PolarHBondContact O-N 2.58Å
886	V	97.1	Very high	97.3	Very high	40 Å²	40	42.9 Å²	42.9	24%	0.242	23%	0.233	C	C	.	.			trans	-74.4	128.8	173.2	-174.8	0	0	0	0	110.1	T882 R892	T882-V886 VanDerWaalsContact O-CG2 3.3Å; T882-V886 WeakPolarHBondContact O-CG2 3.37Å; V886-R892 HydrophobicContact CB-CB 4.25Å; V886-R892 HydrophobicContact CB-CG 4.46Å; V886-R892 PolarHBondContact O-NE 2.89Å; V886-R892 PolarHBondContact O-NH2 3.44Å
887	I	96.1	Very high	97.4	Very high	53 Å²	53	42.9 Å²	42.9	27%	0.272	23%	0.233	S	C	.	.	S	Bend	trans	-56.2	-58	175.4	-70.8	-61.2	0	0	0	110.8	P813 W828 I858 G861 P889 R892	P813-I887 HydrophobicContact CB-CD1 3.76Å; P813-I887 HydrophobicContact CG-CD1 3.62Å; W828-I887 HydrophobicContact CH2-CD1 4.09Å; W828-I887 HydrophobicContact CZ3-CD1 4.22Å; I858-I887 WeakPolarHBondContact O-CD1 3.28Å; G861-I887 VanDerWaalsContact CA-CD1 3.44Å; I887-P889 WeakPolarHBondContact O-CD 3.04Å; I887-P889 VanDerWaalsContact O-N 3.17Å; I887-R892 PolarHBondContact O-NH2 2.81Å
888	T	95.5	Very high	97.5	Very high	70 Å²	70	42.9 Å²	42.9	43%	0.429	23%	0.233	S	C	.	.	S	Bend	trans	-61.4	111	179.7	-58.2	0	0	0	0	110.9	K890 S891 R892	T888-K890 VanDerWaalsContact C-N 3.3Å; T888-K890 PolarHBondContact O-N 3.44Å; T888-S891 PolarHBondContact O-N 3.39Å; T888-R892 PolarHBondContact O-N 3.09Å
889	P	95.6	Very high	97.5	Very high	40 Å²	40	40.6 Å²	40.6	26%	0.26	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-62.8	-35.4	-170.9	-25.5	36.1	0	0	0	113.2	E814 E824 I887 S891 R892	E814-P889 HydrophobicContact CB-CG 4.09Å; E814-P889 HydrophobicContact CG-CG 3.99Å; E824-P889 HydrophobicContact CB-CB 3.84Å; E824-P889 HydrophobicContact CG-CB 3.99Å; I887-P889 WeakPolarHBondContact O-CD 3.04Å; I887-P889 VanDerWaalsContact O-N 3.17Å; P889-S891 PolarHBondContact O-N 3.01Å; P889-R892 VanDerWaalsContact O-CB 3.29Å; P889-R892 WeakPolarHBondContact O-CB 3.32Å; P889-R892 PolarHBondContact O-N 3.38Å
890	K	94.7	Very high	97.4	Very high	201 Å²	201	36.4 Å²	36.4	87%	0.874	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-67	-12.2	176.4	-65.2	-174.2	178.6	-178.6	0	114.9	T888	T888-K890 VanDerWaalsContact C-N 3.3Å; T888-K890 PolarHBondContact O-N 3.44Å
891	S	96.5	Very high	97.4	Very high	81 Å²	81	37.2 Å²	37.2	57%	0.566	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-109.5	1.6	178.8	-57.8	0	0	0	0	112.3	T888 P889	T888-S891 PolarHBondContact O-N 3.39Å; P889-S891 PolarHBondContact O-N 3.01Å
892	R	97.9	Very high	97.2	Very high	9 Å²	9	38.4 Å²	38.4	3%	0.034	21%	0.212	C	C	.	.	S	Bend	trans	-85.3	141.8	175.7	-160.2	-178.4	-62.8	152.3	1.6	109.1	E814 E824 M827 L884 V886 I887 T888 P889 T894	E814-R892 IonicContact OE1-CZ 3.33Å; E814-R892 IonicContact OE1-NH1 3.96Å; E814-R892 PolarHBondContact OE1-NH1 2.8Å; E814-R892 IonicContact OE1-NH2 2.74Å; E814-R892 PolarHBondContact OE1-NH2 3.37Å; E814-R892 IonicContact OE2-CZ 3.74Å; E814-R892 IonicContact OE2-NH1 2.69Å; E814-R892 IonicContact OE2-NH2 3.76Å; E814-R892 PolarHBondContact OE2-NH2 3.37Å; E824-R892 VanDerWaalsContact C-NH1 3.34Å; E824-R892 PolarHBondContact O-NH1 2.92Å; M827-R892 HydrophobicContact CB-CG 4.49Å; L884-R892 WeakPolarHBondContact O-CD 3.38Å; L884-R892 WeakPolarHBondContact O-CG 3.24Å; V886-R892 HydrophobicContact CB-CB 4.25Å; V886-R892 HydrophobicContact CB-CG 4.46Å; V886-R892 PolarHBondContact O-NE 2.89Å; V886-R892 PolarHBondContact O-NH2 3.44Å; I887-R892 PolarHBondContact O-NH2 2.81Å; T888-R892 PolarHBondContact O-N 3.09Å; P889-R892 VanDerWaalsContact O-CB 3.29Å; P889-R892 WeakPolarHBondContact O-CB 3.32Å; P889-R892 PolarHBondContact O-N 3.38Å; R892-T894 PolarHBondContact O-N 2.86Å
893	L	98.1	Very high	97.2	Very high	35 Å²	35	35.3 Å²	35.3	18%	0.183	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-58.3	134.7	178.7	-68.5	176.4	0	0	0	111.9	M827 L880 A883 L884 E897	M827-L893 WeakPolarHBondContact CB-O 3.31Å; M827-L893 WeakPolarHBondContact CG-O 3.46Å; L880-L893 HydrophobicContact CD1-CD1 3.8Å; A883-L893 HydrophobicContact CB-CD1 3.54Å; A883-L893 HydrophobicContact CB-CD2 4.29Å; A883-L893 HydrophobicContact CB-CG 3.63Å; A883-L893 PolarHBondContact O-N 3.25Å; L884-L893 HydrophobicContact CD2-CB 4.12Å; L893-E897 HydrophobicContact CD2-CB 3.95Å
894	T	98.2	Very high	97.1	Very high	55 Å²	55	34.2 Å²	34.2	34%	0.337	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-78	156.9	166.8	65.7	0	0	0	0	110.8	R892 R896 E897 T898	R892-T894 PolarHBondContact O-N 2.86Å; T894-R896 PolarHBondContact O-N 2.9Å; T894-R896 VanDerWaalsContact O-N 3.11Å; T894-R896 PolarHBondContact OG1-NH2 3.46Å; T894-E897 WeakPolarHBondContact CB-OE2 3.28Å; T894-E897 PolarHBondContact N-OE2 2.94Å; T894-E897 VanDerWaalsContact N-OE2 3.13Å; T894-E897 WeakPolarHBondContact O-CA 3.31Å; T894-E897 PolarHBondContact O-N 3.36Å; T894-E897 VanDerWaalsContact OG1-CD 3.32Å; T894-E897 PolarHBondContact OG1-OE2 3.3Å; T894-T898 PolarHBondContact O-N 2.94Å; T894-T898 PolarHBondContact O-OG1 2.84Å
895	A	98.3	Very high	97	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-53.2	-35.6	179.6	0	0	0	0	0	113.9	L756 F757 M827 E897 T898 L899	L756-A895 HydrophobicContact CB-CB 3.87Å; F757-A895 HydrophobicContact CB-CB 3.91Å; M827-A895 HydrophobicContact CE-CB 4.14Å; M827-A895 HydrophobicContact SD-CB 3.73Å; M827-A895 PolarHBondContact SD-N 2.59Å; A895-E897 VanDerWaalsContact C-N 3.31Å; A895-E897 PolarHBondContact O-N 2.7Å; A895-T898 PolarHBondContact O-N 3.31Å; A895-L899 WeakPolarHBondContact O-CG 3.49Å; A895-L899 PolarHBondContact O-N 3.35Å
896	R	97.1	Very high	96.8	Very high	36 Å²	36	36.9 Å²	36.9	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-57	-40.5	171.8	176.9	-178	53.7	87.8	20.6	112.7	F757 T894 A900 L927 E928	F757-R896 HydrophobicContact CD2-CB 3.8Å; F757-R896 HydrophobicContact CE2-CB 3.79Å; F757-R896 HydrophobicContact CE2-CG 4.13Å; T894-R896 PolarHBondContact O-N 2.9Å; T894-R896 VanDerWaalsContact O-N 3.11Å; T894-R896 PolarHBondContact OG1-NH2 3.46Å; R896-A900 PolarHBondContact O-N 3.44Å; R896-L927 HydrophobicContact CG-CB 4.05Å; R896-E928 VanDerWaalsContact CD-OE2 3.25Å; R896-E928 WeakPolarHBondContact CD-OE2 3.43Å; R896-E928 IonicContact CZ-OE2 3.14Å; R896-E928 VanDerWaalsContact CZ-OE2 3.24Å; R896-E928 IonicContact NE-OE2 2.68Å; R896-E928 PolarHBondContact NE-OE2 3.32Å; R896-E928 IonicContact NH1-OE2 3.94Å; R896-E928 PolarHBondContact NH1-OE2 3.1Å
897	E	97.8	Very high	96.6	Very high	39 Å²	39	38.1 Å²	38.1	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-85.5	-31.4	-176.1	-67.7	160	145.3	0	0	111.8	L893 T894 A895 A900 H901 R924	L893-E897 HydrophobicContact CD2-CB 3.95Å; T894-E897 WeakPolarHBondContact CB-OE2 3.28Å; T894-E897 PolarHBondContact N-OE2 2.94Å; T894-E897 VanDerWaalsContact N-OE2 3.13Å; T894-E897 WeakPolarHBondContact O-CA 3.31Å; T894-E897 PolarHBondContact O-N 3.36Å; T894-E897 VanDerWaalsContact OG1-CD 3.32Å; T894-E897 PolarHBondContact OG1-OE2 3.3Å; A895-E897 VanDerWaalsContact C-N 3.31Å; A895-E897 PolarHBondContact O-N 2.7Å; E897-A900 CarbonylContact O-C 3.56Å; E897-A900 PolarHBondContact O-N 3.07Å; E897-H901 PolarHBondContact O-N 3.15Å; E897-R924 IonicContact OE1-NH2 3.48Å; E897-R924 PolarHBondContact OE1-NH2 3.48Å
898	T	98.4	Very high	96.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-45.5	166.4	-57.6	0	0	0	0	111.5	V749 A753 M827 L830 L880 T894 A895 A900 H901 V904	V749-T898 HydrophobicContact CG1-CG2 3.98Å; A753-T898 HydrophobicContact CB-CG2 3.71Å; M827-T898 VanDerWaalsContact CE-OG1 3.23Å; M827-T898 WeakPolarHBondContact CE-OG1 3.16Å; L830-T898 HydrophobicContact CD2-CG2 4.09Å; L880-T898 HydrophobicContact CD1-CG2 4.17Å; T894-T898 PolarHBondContact O-N 2.94Å; T894-T898 PolarHBondContact O-OG1 2.84Å; A895-T898 PolarHBondContact O-N 3.31Å; T898-A900 VanDerWaalsContact C-N 3.29Å; T898-A900 PolarHBondContact O-N 3.12Å; T898-H901 WeakPolarHBondContact O-CB 3.1Å; T898-H901 PolarHBondContact O-N 2.93Å; T898-H901 VanDerWaalsContact O-N 3.17Å; T898-V904 HydrophobicContact CG2-CG2 4.25Å; T898-V904 VanDerWaalsContact O-CB 3.31Å; T898-V904 WeakPolarHBondContact O-CB 3.32Å; T898-V904 VanDerWaalsContact O-CG2 3.28Å; T898-V904 WeakPolarHBondContact O-CG2 3.32Å
899	L	97.9	Very high	95.8	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-61.3	-36.4	175.6	-73.2	163.3	0	0	0	112.8	A753 F757 A895 H901 Y923 L927	A753-L899 HydrophobicContact CB-CD2 3.98Å; A753-L899 HydrophobicContact CB-CG 3.86Å; F757-L899 HydrophobicContact CB-CD1 3.97Å; F757-L899 HydrophobicContact CD1-CD1 4.36Å; F757-L899 HydrophobicContact CG-CD1 4.22Å; A895-L899 WeakPolarHBondContact O-CG 3.49Å; A895-L899 PolarHBondContact O-N 3.35Å; L899-H901 VanDerWaalsContact C-N 3.32Å; L899-Y923 HydrophobicContact CB-CE1 4.24Å; L899-L927 HydrophobicContact CB-CD1 3.63Å; L899-L927 HydrophobicContact CD1-CD1 4.2Å; L899-L927 HydrophobicContact CD1-CD2 4.24Å
900	A	96.8	Very high	94.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5	178.1	0	0	0	0	0	114.2	R896 E897 T898 R920 R924	R896-A900 PolarHBondContact O-N 3.44Å; E897-A900 CarbonylContact O-C 3.56Å; E897-A900 PolarHBondContact O-N 3.07Å; T898-A900 VanDerWaalsContact C-N 3.29Å; T898-A900 PolarHBondContact O-N 3.12Å; A900-R920 WeakPolarHBondContact O-CD 3.46Å; A900-R920 WeakPolarHBondContact O-CG 3.15Å; A900-R920 PolarHBondContact O-NH1 3.14Å; A900-R924 HydrophobicContact CB-CB 3.77Å; A900-R924 HydrophobicContact CB-CG 3.82Å
901	H	97.1	Very high	93.6	Very high	16 Å²	16	34.1 Å²	34.1	7%	0.074	20%	0.198	C	C	.	.	S	Bend	trans	-74	137.2	-179.5	-165.5	-89.2	0	0	0	110.6	H876 D879 L880 E897 T898 L899 W903 V904 F905	H876-H901 PolarHBondContact O-CE1 2.98Å; D879-H901 IonicContact OD2-CE1 2.93Å; D879-H901 IonicContact OD2-NE2 2.64Å; D879-H901 PolarHBondContact OD2-NE2 3.36Å; L880-H901 HydrophobicContact CD1-CB 4.12Å; E897-H901 PolarHBondContact O-N 3.15Å; T898-H901 WeakPolarHBondContact O-CB 3.1Å; T898-H901 PolarHBondContact O-N 2.93Å; T898-H901 VanDerWaalsContact O-N 3.17Å; L899-H901 VanDerWaalsContact C-N 3.32Å; H901-W903 VanDerWaalsContact C-N 3.27Å; H901-W903 PolarHBondContact ND1-N 3Å; H901-W903 PolarHBondContact O-N 2.71Å; H901-W903 VanDerWaalsContact O-N 3.14Å; H901-V904 HydrophobicContact CB-CB 4.48Å; H901-V904 HydrophobicContact CB-CG2 4.23Å; H901-V904 PolarHBondContact O-N 3.5Å; H901-F905 PolarHBondContact O-N 3.38Å
902	P	95.7	Very high	92.4	Very high	26 Å²	26	36 Å²	36	17%	0.169	20%	0.201	C	C	.	.	H	α-helix	trans	-49.7	-44.1	-177.7	-28.9	33.9	0	0	0	113.8	V904 G906 F916	P902-V904 PolarHBondContact O-N 2.89Å; P902-G906 WeakPolarHBondContact O-CA 3.41Å; P902-G906 PolarHBondContact O-N 3.28Å; P902-F916 HydrophobicContact CB-CE1 4.48Å
903	W	97.1	Very high	92	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-38.8	177.6	-167.2	75.1	0	0	0	114.6	E742 A745 A746 V749 T834 L838 H876 A877 L880 H901 S907 G908	E742-W903 HydrophobicContact CB-CZ2 3.94Å; E742-W903 HydrophobicContact CG-CZ2 4.09Å; E742-W903 PolarHBondContact OE2-NE1 2.88Å; A745-W903 HydrophobicContact CB-CH2 3.81Å; A745-W903 HydrophobicContact CB-CZ2 4.35Å; A746-W903 VanDerWaalsContact CA-CZ3 3.5Å; A746-W903 HydrophobicContact CB-CD2 4.13Å; A746-W903 HydrophobicContact CB-CE3 3.84Å; A746-W903 HydrophobicContact CB-CH2 3.91Å; A746-W903 HydrophobicContact CB-CZ2 4.12Å; A746-W903 HydrophobicContact CB-CZ3 3.75Å; V749-W903 HydrophobicContact CB-CZ3 4.29Å; V749-W903 HydrophobicContact CG2-CZ3 4.15Å; T834-W903 HydrophobicContact CG2-CH2 4.2Å; T834-W903 HydrophobicContact CG2-CZ3 4.14Å; L838-W903 HydrophobicContact CD1-CH2 4.25Å; L838-W903 HydrophobicContact CD1-CZ2 4.04Å; L838-W903 HydrophobicContact CD2-CH2 4.47Å; L838-W903 HydrophobicContact CD2-CZ2 4.19Å; H876-W903 HydrophobicContact CB-CB 3.92Å; H876-W903 HydrophobicContact CB-CG 4.33Å; A877-W903 HydrophobicContact CB-CD2 4.36Å; A877-W903 HydrophobicContact CB-CG 4.46Å; A877-W903 HydrophobicContact CB-CZ2 4.09Å; L880-W903 HydrophobicContact CD2-CD2 4.27Å; L880-W903 HydrophobicContact CD2-CE3 3.38Å; L880-W903 HydrophobicContact CD2-CZ3 3.83Å; H901-W903 VanDerWaalsContact C-N 3.27Å; H901-W903 PolarHBondContact ND1-N 3Å; H901-W903 PolarHBondContact O-N 2.71Å; H901-W903 VanDerWaalsContact O-N 3.14Å; W903-S907 PolarHBondContact O-N 3.2Å; W903-G908 PolarHBondContact O-N 3.34Å
904	V	97.3	Very high	91.6	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-79.4	-47.1	-177.4	-177.6	0	0	0	0	109.9	V749 L880 T898 H901 P902 G906 S907	V749-V904 HydrophobicContact CG1-CG2 3.9Å; L880-V904 HydrophobicContact CD2-CG2 3.64Å; T898-V904 HydrophobicContact CG2-CG2 4.25Å; T898-V904 VanDerWaalsContact O-CB 3.31Å; T898-V904 WeakPolarHBondContact O-CB 3.32Å; T898-V904 VanDerWaalsContact O-CG2 3.28Å; T898-V904 WeakPolarHBondContact O-CG2 3.32Å; H901-V904 HydrophobicContact CB-CB 4.48Å; H901-V904 HydrophobicContact CB-CG2 4.23Å; H901-V904 PolarHBondContact O-N 3.5Å; P902-V904 PolarHBondContact O-N 2.89Å; V904-G906 VanDerWaalsContact C-N 3.34Å; V904-G906 PolarHBondContact O-N 3.14Å; V904-S907 PolarHBondContact O-N 2.81Å; V904-S907 VanDerWaalsContact O-N 3.08Å
905	F	95.7	Very high	91.3	Very high	53 Å²	53	47.8 Å²	47.8	23%	0.232	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-39	177.4	-172	-105.6	0	0	0	112.1	H901 S907 F916 R919 R920 Y923	H901-F905 PolarHBondContact O-N 3.38Å; F905-S907 PolarHBondContact O-N 2.99Å; F905-F916 HydrophobicContact CD1-CD2 4.21Å; F905-F916 AromaticContact CD1-CE2 3.53Å; F905-F916 HydrophobicContact CD1-CE2 3.53Å; F905-F916 AromaticContact CD1-CZ 3.72Å; F905-F916 HydrophobicContact CD1-CZ 3.72Å; F905-F916 HydrophobicContact CE1-CD2 4.26Å; F905-F916 HydrophobicContact CE1-CE2 4.02Å; F905-R919 HydrophobicContact CE1-CB 4.15Å; F905-R919 HydrophobicContact CZ-CB 4.02Å; F905-R919 WeakPolarHBondContact CZ-O 3.38Å; F905-R920 HydrophobicContact CB-CG 4.07Å; F905-R920 HydrophobicContact CD1-CB 3.53Å; F905-R920 HydrophobicContact CD1-CG 3.65Å; F905-R920 VanDerWaalsContact CE1-CA 3.44Å; F905-R920 HydrophobicContact CE1-CB 3.63Å; F905-R920 HydrophobicContact CE1-CG 4.24Å; F905-R920 HydrophobicContact CG-CB 4.18Å; F905-R920 HydrophobicContact CG-CG 3.86Å; F905-R920 HydrophobicContact CZ-CB 4.34Å; F905-Y923 AromaticContact CD2-CD1 3.49Å; F905-Y923 HydrophobicContact CD2-CD1 3.49Å; F905-Y923 VanDerWaalsContact CD2-CD1 3.49Å; F905-Y923 HydrophobicContact CD2-CE1 4.04Å; F905-Y923 HydrophobicContact CD2-CG 4.15Å; F905-Y923 AromaticContact CE2-CD1 3.58Å; F905-Y923 HydrophobicContact CE2-CD1 3.58Å; F905-Y923 HydrophobicContact CE2-CE1 4.38Å; F905-Y923 AromaticContact CE2-CG 3.73Å; F905-Y923 HydrophobicContact CE2-CG 3.73Å
906	G	93.5	Very high	91	Very high	10 Å²	10	48 Å²	48	10%	0.103	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	3.6	173.2	0	0	0	0	0	115.1	P902 V904 G908 L909	P902-G906 WeakPolarHBondContact O-CA 3.41Å; P902-G906 PolarHBondContact O-N 3.28Å; V904-G906 VanDerWaalsContact C-N 3.34Å; V904-G906 PolarHBondContact O-N 3.14Å; G906-G908 VanDerWaalsContact C-N 3.27Å; G906-G908 PolarHBondContact O-N 2.82Å; G906-L909 WeakPolarHBondContact O-CB 3.22Å; G906-L909 PolarHBondContact O-N 3.49Å
907	S	93.2	Very high	90.8	Very high	67 Å²	67	49.1 Å²	49.1	47%	0.469	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	46.4	-178.7	-57.8	0	0	0	0	112.8	P743 W903 V904 F905 L909	P743-S907 WeakPolarHBondContact CA-O 3.33Å; P743-S907 VanDerWaalsContact CB-O 3.31Å; P743-S907 WeakPolarHBondContact CB-O 3.18Å; W903-S907 PolarHBondContact O-N 3.2Å; V904-S907 PolarHBondContact O-N 2.81Å; V904-S907 VanDerWaalsContact O-N 3.08Å; F905-S907 PolarHBondContact O-N 2.99Å; S907-L909 PolarHBondContact O-N 2.86Å
908	G	90.2	Very high	90.6	Very high	5 Å²	5	54 Å²	54	5%	0.052	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	2.2	179.6	0	0	0	0	0	115.4	A746 W903 G906	A746-G908 VanDerWaalsContact CB-N 3.25Å; W903-G908 PolarHBondContact O-N 3.34Å; G906-G908 VanDerWaalsContact C-N 3.27Å; G906-G908 PolarHBondContact O-N 2.82Å
909	L	84.7	Confident	90.4	Very high	106 Å²	106	59.2 Å²	59.2	56%	0.555	31%	0.305	S	S	*	.			trans	-95.1	138	178.9	-57.7	177.1	0	0	0	111.4	P743 G906 S907 N911	P743-L909 HydrophobicContact CG-CD2 4.05Å; G906-L909 WeakPolarHBondContact O-CB 3.22Å; G906-L909 PolarHBondContact O-N 3.49Å; S907-L909 PolarHBondContact O-N 2.86Å; L909-N911 PolarHBondContact O-N 3.46Å; L909-N911 VanDerWaalsContact O-N 3.11Å
910	P	70.5	Confident	90.3	Very high	99 Å²	99	61.1 Å²	61.1	64%	0.643	31%	0.312	S	S	*	.			trans	-75.3	98	169.6	31.1	-32.4	0	0	0	109.7
911	N	73.3	Confident	90.1	Very high	70 Å²	70	65.4 Å²	65.4	37%	0.374	33%	0.334	S	S	.	.			trans	-120.9	132.6	165.1	-167.4	-13.9	0	0	0	108.5	L909 S913 F916	L909-N911 PolarHBondContact O-N 3.46Å; L909-N911 VanDerWaalsContact O-N 3.11Å; N911-S913 PolarHBondContact OD1-N 2.9Å; N911-S913 VanDerWaalsContact OD1-N 3.1Å; N911-F916 HydrophobicContact CB-CD2 4.14Å; N911-F916 HydrophobicContact CB-CE2 4.48Å; N911-F916 HydrophobicContact CB-CG 4.15Å; N911-F916 WeakPolarHBondContact O-CD1 3.38Å; N911-F916 VanDerWaalsContact O-CE1 3.26Å; N911-F916 WeakPolarHBondContact O-CE1 3.43Å
912	L	71.9	Confident	90.1	Very high	119 Å²	119	68.9 Å²	68.9	62%	0.623	35%	0.353	S	S	*	.			trans	-134.6	23.9	-176.2	-66.4	174.7	0	0	0	111.3
913	S	89.1	Confident	90.1	Very high	47 Å²	47	70.6 Å²	70.6	33%	0.329	36%	0.357	S	S	.	.			trans	-67.1	148.8	171.8	74.8	0	0	0	0	111	N911 E915 F916 E917	N911-S913 PolarHBondContact OD1-N 2.9Å; N911-S913 VanDerWaalsContact OD1-N 3.1Å; S913-E915 PolarHBondContact O-N 3.35Å; S913-F916 WeakPolarHBondContact O-CA 3.38Å; S913-F916 WeakPolarHBondContact O-CB 3.45Å; S913-F916 PolarHBondContact O-N 3.32Å; S913-F916 WeakPolarHBondContact OG-CB 3.43Å; S913-F916 PolarHBondContact OG-N 3.27Å; S913-F916 VanDerWaalsContact OG-N 3.16Å; S913-E917 PolarHBondContact O-N 3.32Å
914	E	89.4	Confident	90	Very high	180 Å²	180	74.3 Å²	74.3	84%	0.841	37%	0.371	S	S	*	.	H	α-helix	trans	-57.7	-33.2	176.9	-60.2	-177.8	168.1	0	0	111.9	E917 K918	E914-E917 PolarHBondContact O-N 3Å; E914-K918 WeakPolarHBondContact O-CB 3.48Å; E914-K918 PolarHBondContact O-N 2.88Å
915	E	91.6	Very high	90	Very high	120 Å²	120	78.4 Å²	78.4	56%	0.561	39%	0.393	S	S	*	.	H	α-helix	trans	-67.7	-37.5	174.9	-162.4	-137.9	129.5	0	0	112.5	S913 R919	S913-E915 PolarHBondContact O-N 3.35Å; E915-R919 WeakPolarHBondContact O-CB 3.42Å; E915-R919 WeakPolarHBondContact O-CG 3.36Å; E915-R919 PolarHBondContact O-N 2.89Å; E915-R919 IonicContact OE1-CZ 3.43Å; E915-R919 IonicContact OE1-NE 2.79Å; E915-R919 PolarHBondContact OE1-NE 2.87Å; E915-R919 IonicContact OE1-NH2 3.23Å; E915-R919 PolarHBondContact OE1-NH2 2.94Å
916	F	92.6	Very high	90	Very high	8 Å²	8	80.1 Å²	80.1	4%	0.035	40%	0.401	C	S	.	.	H	α-helix	trans	-64.8	-48.6	173.2	171.7	-94.6	0	0	0	110.9	P902 F905 N911 S913 K918 R919 R920	P902-F916 HydrophobicContact CB-CE1 4.48Å; F905-F916 HydrophobicContact CD1-CD2 4.21Å; F905-F916 AromaticContact CD1-CE2 3.53Å; F905-F916 HydrophobicContact CD1-CE2 3.53Å; F905-F916 AromaticContact CD1-CZ 3.72Å; F905-F916 HydrophobicContact CD1-CZ 3.72Å; F905-F916 HydrophobicContact CE1-CD2 4.26Å; F905-F916 HydrophobicContact CE1-CE2 4.02Å; N911-F916 HydrophobicContact CB-CD2 4.14Å; N911-F916 HydrophobicContact CB-CE2 4.48Å; N911-F916 HydrophobicContact CB-CG 4.15Å; N911-F916 WeakPolarHBondContact O-CD1 3.38Å; N911-F916 VanDerWaalsContact O-CE1 3.26Å; N911-F916 WeakPolarHBondContact O-CE1 3.43Å; S913-F916 WeakPolarHBondContact O-CA 3.38Å; S913-F916 WeakPolarHBondContact O-CB 3.45Å; S913-F916 PolarHBondContact O-N 3.32Å; S913-F916 WeakPolarHBondContact OG-CB 3.43Å; S913-F916 PolarHBondContact OG-N 3.27Å; S913-F916 VanDerWaalsContact OG-N 3.16Å; F916-K918 PolarHBondContact O-N 3.17Å; F916-R919 PolarHBondContact O-N 2.66Å; F916-R920 WeakPolarHBondContact O-CB 3.49Å; F916-R920 PolarHBondContact O-N 2.92Å
917	E	92.6	Very high	90.1	Very high	59 Å²	59	80 Å²	80	28%	0.276	40%	0.398	S	S	.	.	H	α-helix	trans	-65.1	-38.8	179.8	-78.3	-62.1	108.7	0	0	112.5	S913 E914 R920 L921	S913-E917 PolarHBondContact O-N 3.32Å; E914-E917 PolarHBondContact O-N 3Å; E917-R920 VanDerWaalsContact CD-NE 3.33Å; E917-R920 WeakPolarHBondContact O-CB 3.32Å; E917-R920 PolarHBondContact O-N 2.85Å; E917-R920 WeakPolarHBondContact OE1-CD 3.36Å; E917-R920 IonicContact OE1-CZ 2.98Å; E917-R920 IonicContact OE1-NE 3.24Å; E917-R920 PolarHBondContact OE1-NE 2.79Å; E917-R920 IonicContact OE1-NH2 2.69Å; E917-R920 IonicContact OE2-CZ 3.04Å; E917-R920 VanDerWaalsContact OE2-CZ 3.31Å; E917-R920 IonicContact OE2-NE 2.72Å; E917-R920 PolarHBondContact OE2-NE 3.14Å; E917-R920 VanDerWaalsContact OE2-NE 3.14Å; E917-R920 IonicContact OE2-NH2 3.33Å; E917-R920 PolarHBondContact OE2-NH2 2.97Å; E917-L921 WeakPolarHBondContact O-CB 3.34Å; E917-L921 PolarHBondContact O-N 2.93Å
918	K	94	Very high	90.1	Very high	141 Å²	141	79.6 Å²	79.6	61%	0.613	39%	0.389	S	S	*	.	H	α-helix	trans	-58.9	-52.5	171.1	-178.4	177.2	178.6	179.5	0	111.4	E914 F916 R920 L921 D922	E914-K918 WeakPolarHBondContact O-CB 3.48Å; E914-K918 PolarHBondContact O-N 2.88Å; F916-K918 PolarHBondContact O-N 3.17Å; K918-R920 VanDerWaalsContact C-N 3.25Å; K918-R920 PolarHBondContact O-N 3.44Å; K918-L921 PolarHBondContact O-N 3.03Å; K918-L921 VanDerWaalsContact O-N 3.12Å; K918-D922 PolarHBondContact O-N 3.39Å
919	R	94.6	Very high	90.3	Very high	110 Å²	110	85.7 Å²	85.7	42%	0.415	41%	0.414	S	S	.	.	H	α-helix	trans	-60.5	-34.8	177.6	-74.5	-171.2	-76.6	110.4	-5.2	112.5	F905 E915 F916 Y923	F905-R919 HydrophobicContact CE1-CB 4.15Å; F905-R919 HydrophobicContact CZ-CB 4.02Å; F905-R919 WeakPolarHBondContact CZ-O 3.38Å; E915-R919 WeakPolarHBondContact O-CB 3.42Å; E915-R919 WeakPolarHBondContact O-CG 3.36Å; E915-R919 PolarHBondContact O-N 2.89Å; E915-R919 IonicContact OE1-CZ 3.43Å; E915-R919 IonicContact OE1-NE 2.79Å; E915-R919 PolarHBondContact OE1-NE 2.87Å; E915-R919 IonicContact OE1-NH2 3.23Å; E915-R919 PolarHBondContact OE1-NH2 2.94Å; F916-R919 PolarHBondContact O-N 2.66Å; R919-Y923 WeakPolarHBondContact O-CB 3.43Å; R919-Y923 PolarHBondContact O-N 3.08Å
920	R	94.7	Very high	90.7	Very high	44 Å²	44	84.6 Å²	84.6	17%	0.166	41%	0.405	C	S	.	.	H	α-helix	trans	-67	-40.5	175.6	-168.5	-177.4	67.7	73.5	2.8	111.9	A900 F905 F916 E917 K918 R924	A900-R920 WeakPolarHBondContact O-CD 3.46Å; A900-R920 WeakPolarHBondContact O-CG 3.15Å; A900-R920 PolarHBondContact O-NH1 3.14Å; F905-R920 HydrophobicContact CB-CG 4.07Å; F905-R920 HydrophobicContact CD1-CB 3.53Å; F905-R920 HydrophobicContact CD1-CG 3.65Å; F905-R920 VanDerWaalsContact CE1-CA 3.44Å; F905-R920 HydrophobicContact CE1-CB 3.63Å; F905-R920 HydrophobicContact CE1-CG 4.24Å; F905-R920 HydrophobicContact CG-CB 4.18Å; F905-R920 HydrophobicContact CG-CG 3.86Å; F905-R920 HydrophobicContact CZ-CB 4.34Å; F916-R920 WeakPolarHBondContact O-CB 3.49Å; F916-R920 PolarHBondContact O-N 2.92Å; E917-R920 VanDerWaalsContact CD-NE 3.33Å; E917-R920 WeakPolarHBondContact O-CB 3.32Å; E917-R920 PolarHBondContact O-N 2.85Å; E917-R920 WeakPolarHBondContact OE1-CD 3.36Å; E917-R920 IonicContact OE1-CZ 2.98Å; E917-R920 IonicContact OE1-NE 3.24Å; E917-R920 PolarHBondContact OE1-NE 2.79Å; E917-R920 IonicContact OE1-NH2 2.69Å; E917-R920 IonicContact OE2-CZ 3.04Å; E917-R920 VanDerWaalsContact OE2-CZ 3.31Å; E917-R920 IonicContact OE2-NE 2.72Å; E917-R920 PolarHBondContact OE2-NE 3.14Å; E917-R920 VanDerWaalsContact OE2-NE 3.14Å; E917-R920 IonicContact OE2-NH2 3.33Å; E917-R920 PolarHBondContact OE2-NH2 2.97Å; K918-R920 VanDerWaalsContact C-N 3.25Å; K918-R920 PolarHBondContact O-N 3.44Å; R920-R924 WeakPolarHBondContact O-CB 3.22Å; R920-R924 PolarHBondContact O-N 2.84Å
921	L	94	Very high	91.7	Very high	90 Å²	90	81.8 Å²	81.8	47%	0.471	38%	0.383	S	S	.	.	H	α-helix	trans	-70.2	-42.6	176.4	-175.5	59.7	0	0	0	111.9	E917 K918 Y923 R924 N925	E917-L921 WeakPolarHBondContact O-CB 3.34Å; E917-L921 PolarHBondContact O-N 2.93Å; K918-L921 PolarHBondContact O-N 3.03Å; K918-L921 VanDerWaalsContact O-N 3.12Å; L921-Y923 VanDerWaalsContact C-N 3.32Å; L921-Y923 PolarHBondContact O-N 2.68Å; L921-R924 WeakPolarHBondContact O-CB 3.49Å; L921-R924 PolarHBondContact O-N 3.41Å; L921-N925 VanDerWaalsContact O-CG 3.23Å; L921-N925 PolarHBondContact O-N 3.41Å; L921-N925 PolarHBondContact O-ND2 2.93Å
922	D	96.3	Very high	92.6	Very high	88 Å²	88	81.1 Å²	81.1	47%	0.471	38%	0.379	S	S	.	.	H	α-helix	trans	-58.8	-44.2	174.2	-70.3	-30.2	0	0	0	111.1	K918 N925 E926	K918-D922 PolarHBondContact O-N 3.39Å; D922-N925 WeakPolarHBondContact O-CB 3.34Å; D922-N925 PolarHBondContact O-N 3.38Å; D922-E926 PolarHBondContact O-N 2.85Å
923	Y	95.8	Very high	93.5	Very high	63 Å²	63	79.8 Å²	79.8	25%	0.247	37%	0.37	C	S	.	.	H	α-helix	trans	-65	-39	174.3	-179	-119.6	0	0	0	113	L899 F905 R919 L921 N925 E926 L927	L899-Y923 HydrophobicContact CB-CE1 4.24Å; F905-Y923 AromaticContact CD2-CD1 3.49Å; F905-Y923 HydrophobicContact CD2-CD1 3.49Å; F905-Y923 VanDerWaalsContact CD2-CD1 3.49Å; F905-Y923 HydrophobicContact CD2-CE1 4.04Å; F905-Y923 HydrophobicContact CD2-CG 4.15Å; F905-Y923 AromaticContact CE2-CD1 3.58Å; F905-Y923 HydrophobicContact CE2-CD1 3.58Å; F905-Y923 HydrophobicContact CE2-CE1 4.38Å; F905-Y923 AromaticContact CE2-CG 3.73Å; F905-Y923 HydrophobicContact CE2-CG 3.73Å; R919-Y923 WeakPolarHBondContact O-CB 3.43Å; R919-Y923 PolarHBondContact O-N 3.08Å; L921-Y923 VanDerWaalsContact C-N 3.32Å; L921-Y923 PolarHBondContact O-N 2.68Å; Y923-N925 VanDerWaalsContact C-N 3.27Å; Y923-N925 PolarHBondContact O-N 2.84Å; Y923-E926 WeakPolarHBondContact O-CB 3.48Å; Y923-E926 PolarHBondContact O-N 2.82Å; Y923-L927 HydrophobicContact CD1-CD1 4.06Å; Y923-L927 HydrophobicContact CD2-CG 4.5Å; Y923-L927 HydrophobicContact CE1-CD1 3.63Å; Y923-L927 HydrophobicContact CE1-CG 4.31Å; Y923-L927 HydrophobicContact CE2-CD1 4.36Å; Y923-L927 HydrophobicContact CE2-CD2 4.23Å; Y923-L927 HydrophobicContact CE2-CG 4.15Å; Y923-L927 WeakPolarHBondContact O-CG 3.37Å; Y923-L927 PolarHBondContact O-N 3.4Å
924	R	95.9	Very high	93.3	Very high	79 Å²	79	80.8 Å²	80.8	30%	0.298	37%	0.369	S	S	.	.	H	α-helix	trans	-58.4	-40.9	172.4	-172.6	-179.6	173.7	95.6	3.5	111.4	E897 A900 R920 L921 L927 E928	E897-R924 IonicContact OE1-NH2 3.48Å; E897-R924 PolarHBondContact OE1-NH2 3.48Å; A900-R924 HydrophobicContact CB-CB 3.77Å; A900-R924 HydrophobicContact CB-CG 3.82Å; R920-R924 WeakPolarHBondContact O-CB 3.22Å; R920-R924 PolarHBondContact O-N 2.84Å; L921-R924 WeakPolarHBondContact O-CB 3.49Å; L921-R924 PolarHBondContact O-N 3.41Å; R924-L927 PolarHBondContact O-N 3.27Å; R924-E928 PolarHBondContact O-N 2.86Å
925	N	96.2	Very high	92.9	Very high	88 Å²	88	76.9 Å²	76.9	47%	0.471	35%	0.349	S	S	.	.	H	α-helix	trans	-69.6	-37.4	177.9	-64.6	-28.8	0	0	0	112	L921 D922 Y923 E928 K929	L921-N925 VanDerWaalsContact O-CG 3.23Å; L921-N925 PolarHBondContact O-N 3.41Å; L921-N925 PolarHBondContact O-ND2 2.93Å; D922-N925 WeakPolarHBondContact O-CB 3.34Å; D922-N925 PolarHBondContact O-N 3.38Å; Y923-N925 VanDerWaalsContact C-N 3.27Å; Y923-N925 PolarHBondContact O-N 2.84Å; N925-E928 PolarHBondContact O-N 3.28Å; N925-K929 PolarHBondContact O-N 3.49Å
926	E	96.1	Very high	92.4	Very high	89 Å²	89	76.6 Å²	76.6	42%	0.416	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-44	173.1	-164.5	-158.2	148	0	0	112.1	D922 Y923 K929 K930	D922-E926 PolarHBondContact O-N 2.85Å; Y923-E926 WeakPolarHBondContact O-CB 3.48Å; Y923-E926 PolarHBondContact O-N 2.82Å; E926-K929 PolarHBondContact O-N 2.8Å; E926-K930 WeakPolarHBondContact O-CG 3.29Å; E926-K930 PolarHBondContact O-N 2.79Å; E926-K930 VanDerWaalsContact OE1-CE 3.23Å; E926-K930 WeakPolarHBondContact OE1-CE 3.4Å; E926-K930 IonicContact OE1-NZ 2.84Å; E926-K930 PolarHBondContact OE1-NZ 3.16Å
927	L	95.1	Very high	91.7	Very high	7 Å²	7	78.8 Å²	78.8	4%	0.037	36%	0.364	C	S	.	.	H	α-helix	trans	-65.8	-38.2	176	-67.9	173.7	0	0	0	112.2	F757 R896 L899 Y923 R924 K930 H931	F757-L927 HydrophobicContact CD1-CD2 4.44Å; F757-L927 HydrophobicContact CE1-CD2 4.01Å; F757-L927 HydrophobicContact CZ-CD2 4.42Å; R896-L927 HydrophobicContact CG-CB 4.05Å; L899-L927 HydrophobicContact CB-CD1 3.63Å; L899-L927 HydrophobicContact CD1-CD1 4.2Å; L899-L927 HydrophobicContact CD1-CD2 4.24Å; Y923-L927 HydrophobicContact CD1-CD1 4.06Å; Y923-L927 HydrophobicContact CD2-CG 4.5Å; Y923-L927 HydrophobicContact CE1-CD1 3.63Å; Y923-L927 HydrophobicContact CE1-CG 4.31Å; Y923-L927 HydrophobicContact CE2-CD1 4.36Å; Y923-L927 HydrophobicContact CE2-CD2 4.23Å; Y923-L927 HydrophobicContact CE2-CG 4.15Å; Y923-L927 WeakPolarHBondContact O-CG 3.37Å; Y923-L927 PolarHBondContact O-N 3.4Å; R924-L927 PolarHBondContact O-N 3.27Å; L927-K930 PolarHBondContact O-N 3.1Å; L927-H931 VanDerWaalsContact O-CB 3.31Å; L927-H931 WeakPolarHBondContact O-CB 3.47Å; L927-H931 PolarHBondContact O-N 3.36Å
928	E	94	Very high	90.6	Very high	60 Å²	60	80.8 Å²	80.8	28%	0.28	38%	0.375	S	S	.	.	H	α-helix	trans	-64.2	-42.1	174.2	-171.6	58.1	-138.6	0	0	111.7	R896 R924 N925 H931 N932	R896-E928 VanDerWaalsContact CD-OE2 3.25Å; R896-E928 WeakPolarHBondContact CD-OE2 3.43Å; R896-E928 IonicContact CZ-OE2 3.14Å; R896-E928 VanDerWaalsContact CZ-OE2 3.24Å; R896-E928 IonicContact NE-OE2 2.68Å; R896-E928 PolarHBondContact NE-OE2 3.32Å; R896-E928 IonicContact NH1-OE2 3.94Å; R896-E928 PolarHBondContact NH1-OE2 3.1Å; R924-E928 PolarHBondContact O-N 2.86Å; N925-E928 PolarHBondContact O-N 3.28Å; E928-H931 PolarHBondContact O-N 3.05Å; E928-H931 IonicContact OE1-CD2 2.74Å; E928-N932 PolarHBondContact O-N 3.34Å; E928-N932 PolarHBondContact O-ND2 3.41Å; E928-N932 PolarHBondContact OE1-ND2 3.37Å
929	K	94.4	Very high	89.1	Confident	132 Å²	132	80.8 Å²	80.8	57%	0.574	38%	0.381	S	S	*	.	H	α-helix	trans	-57.8	-53	173.4	176.2	177	168.3	-179.3	0	111	N925 E926 H931 N932 E933	N925-K929 PolarHBondContact O-N 3.49Å; E926-K929 PolarHBondContact O-N 2.8Å; K929-H931 VanDerWaalsContact C-N 3.29Å; K929-H931 PolarHBondContact O-N 2.88Å; K929-N932 PolarHBondContact O-N 3.37Å; K929-N932 VanDerWaalsContact O-N 3.12Å; K929-E933 WeakPolarHBondContact CE-OE1 3.24Å; K929-E933 HydrophobicContact CG-CG 4.39Å; K929-E933 IonicContact NZ-OE1 2.79Å; K929-E933 WeakPolarHBondContact O-CG 3.46Å; K929-E933 PolarHBondContact O-N 3.35Å
930	K	93.1	Very high	87.1	Confident	83 Å²	83	81.7 Å²	81.7	36%	0.361	39%	0.39	S	S	.	.	H	α-helix	trans	-57.6	-40	177.9	-74.5	171.4	172.2	173.8	0	112.7	F757 E926 L927 E933 F934	F757-K930 HydrophobicContact CZ-CB 4.46Å; E926-K930 WeakPolarHBondContact O-CG 3.29Å; E926-K930 PolarHBondContact O-N 2.79Å; E926-K930 VanDerWaalsContact OE1-CE 3.23Å; E926-K930 WeakPolarHBondContact OE1-CE 3.4Å; E926-K930 IonicContact OE1-NZ 2.84Å; E926-K930 PolarHBondContact OE1-NZ 3.16Å; L927-K930 PolarHBondContact O-N 3.1Å; K930-E933 PolarHBondContact O-N 2.79Å; K930-F934 VanDerWaalsContact O-CD2 3.23Å; K930-F934 WeakPolarHBondContact O-CD2 3.16Å; K930-F934 PolarHBondContact O-N 3.27Å
931	H	91.8	Very high	84.8	Confident	40 Å²	40	83.9 Å²	83.9	19%	0.185	40%	0.401	C	S	.	.	H	α-helix	trans	-62.9	-41.1	177.3	-176.2	59.6	0	0	0	112.3	F757 C761 L927 E928 K929 K935	F757-H931 HydrophobicContact CE2-CB 3.98Å; F757-H931 AromaticContact CE2-CE1 3.57Å; F757-H931 HydrophobicContact CZ-CB 4.05Å; C761-H931 PolarHBondContact SG-CE1 2.87Å; C761-H931 PolarHBondContact SG-ND1 3.48Å; L927-H931 VanDerWaalsContact O-CB 3.31Å; L927-H931 WeakPolarHBondContact O-CB 3.47Å; L927-H931 PolarHBondContact O-N 3.36Å; E928-H931 PolarHBondContact O-N 3.05Å; E928-H931 IonicContact OE1-CD2 2.74Å; K929-H931 VanDerWaalsContact C-N 3.29Å; K929-H931 PolarHBondContact O-N 2.88Å; H931-K935 PolarHBondContact CD2-NZ 2.97Å; H931-K935 PolarHBondContact O-N 3.43Å; H931-K935 VanDerWaalsContact O-N 3.08Å
932	N	91.4	Very high	82.4	Confident	56 Å²	56	82.8 Å²	82.8	30%	0.299	40%	0.396	S	S	.	.	H	α-helix	trans	-76.8	-34	178.2	-69.6	-56.2	0	0	0	112.9	E928 K929 F934 K935 Q936	E928-N932 PolarHBondContact O-N 3.34Å; E928-N932 PolarHBondContact O-ND2 3.41Å; E928-N932 PolarHBondContact OE1-ND2 3.37Å; K929-N932 PolarHBondContact O-N 3.37Å; K929-N932 VanDerWaalsContact O-N 3.12Å; N932-F934 VanDerWaalsContact C-N 3.34Å; N932-K935 PolarHBondContact O-N 2.84Å; N932-Q936 WeakPolarHBondContact O-CB 3.3Å; N932-Q936 VanDerWaalsContact O-CG 3.29Å; N932-Q936 WeakPolarHBondContact O-CG 3.38Å; N932-Q936 PolarHBondContact O-N 3.46Å
933	E	90.4	Very high	79.3	Confident	91 Å²	91	80.7 Å²	80.7	43%	0.425	39%	0.387	S	S	.	.	H	α-helix	trans	-59.4	-43.3	169.1	-72.2	170.1	159.8	0	0	111.2	K929 K930 Q936 S937	K929-E933 WeakPolarHBondContact CE-OE1 3.24Å; K929-E933 HydrophobicContact CG-CG 4.39Å; K929-E933 IonicContact NZ-OE1 2.79Å; K929-E933 WeakPolarHBondContact O-CG 3.46Å; K929-E933 PolarHBondContact O-N 3.35Å; K930-E933 PolarHBondContact O-N 2.79Å; E933-Q936 PolarHBondContact O-N 3.45Å; E933-S937 WeakPolarHBondContact O-CB 3.23Å; E933-S937 PolarHBondContact O-N 3.37Å
934	F	85.8	Confident	76.6	Confident	69 Å²	69	80.3 Å²	80.3	30%	0.303	39%	0.388	S	S	.	.	H	α-helix	trans	-62	-47.4	172.6	-81.8	-57.3	0	0	0	112.4	C761 K930 N932 Q936 S937 M938	C761-F934 HydrophobicContact CB-CB 4.01Å; C761-F934 HydrophobicContact CB-CD2 3.88Å; C761-F934 HydrophobicContact CB-CG 4.02Å; K930-F934 VanDerWaalsContact O-CD2 3.23Å; K930-F934 WeakPolarHBondContact O-CD2 3.16Å; K930-F934 PolarHBondContact O-N 3.27Å; N932-F934 VanDerWaalsContact C-N 3.34Å; F934-Q936 PolarHBondContact O-N 3.1Å; F934-S937 PolarHBondContact O-N 3.4Å; F934-S937 PolarHBondContact O-OG 3.33Å; F934-M938 WeakPolarHBondContact O-CG 3.36Å; F934-M938 PolarHBondContact O-N 3.3Å
935	K	81.7	Confident	74	Confident	97 Å²	97	79.8 Å²	79.8	42%	0.422	39%	0.391	S	S	.	.	H	α-helix	trans	-56.9	-44.9	175.8	-79	165.8	160.3	167.5	0	112.7	H931 N932 M938 N939	H931-K935 PolarHBondContact CD2-NZ 2.97Å; H931-K935 PolarHBondContact O-N 3.43Å; H931-K935 VanDerWaalsContact O-N 3.08Å; N932-K935 PolarHBondContact O-N 2.84Å; K935-M938 PolarHBondContact O-N 3.39Å; K935-N939 WeakPolarHBondContact O-CB 3.22Å; K935-N939 VanDerWaalsContact O-CG 3.3Å; K935-N939 PolarHBondContact O-N 2.85Å
936	Q	80.6	Confident	71.1	Confident	114 Å²	114	80.8 Å²	80.8	53%	0.533	40%	0.396	S	S	.	.	H	α-helix	trans	-62.3	-45.8	175.3	-71.6	169.8	7.7	0	0	111.2	N932 E933 F934 M938 N939 E940	N932-Q936 WeakPolarHBondContact O-CB 3.3Å; N932-Q936 VanDerWaalsContact O-CG 3.29Å; N932-Q936 WeakPolarHBondContact O-CG 3.38Å; N932-Q936 PolarHBondContact O-N 3.46Å; E933-Q936 PolarHBondContact O-N 3.45Å; F934-Q936 PolarHBondContact O-N 3.1Å; Q936-M938 PolarHBondContact O-N 3.44Å; Q936-N939 PolarHBondContact O-N 2.89Å; Q936-N939 VanDerWaalsContact O-N 3.14Å; Q936-E940 WeakPolarHBondContact O-CG 3.35Å; Q936-E940 PolarHBondContact O-N 3.43Å
937	S	78.1	Confident	68.2	Low	54 Å²	54	80.8 Å²	80.8	38%	0.378	39%	0.393	S	S	.	.	H	α-helix	trans	-59.8	-31.7	179.3	79.9	0	0	0	0	113.6	E933 F934	E933-S937 WeakPolarHBondContact O-CB 3.23Å; E933-S937 PolarHBondContact O-N 3.37Å; F934-S937 PolarHBondContact O-N 3.4Å; F934-S937 PolarHBondContact O-OG 3.33Å
938	M	69.7	Low	65.4	Low	102 Å²	102	82.5 Å²	82.5	50%	0.502	40%	0.402	S	S	.	.	H	α-helix	trans	-75.4	-45.5	174.3	-66.2	-75.7	-80.8	0	0	111.4	F934 K935 Q936	F934-M938 WeakPolarHBondContact O-CG 3.36Å; F934-M938 PolarHBondContact O-N 3.3Å; K935-M938 PolarHBondContact O-N 3.39Å; Q936-M938 PolarHBondContact O-N 3.44Å
939	N	60.9	Low	63	Low	140 Å²	140	87.6 Å²	87.6	75%	0.749	42%	0.424	S	S	*	.	H	α-helix	trans	-70.1	-39.9	-176	-72.3	-10.8	0	0	0	113.9	K935 Q936 K941	K935-N939 WeakPolarHBondContact O-CB 3.22Å; K935-N939 VanDerWaalsContact O-CG 3.3Å; K935-N939 PolarHBondContact O-N 2.85Å; Q936-N939 PolarHBondContact O-N 2.89Å; Q936-N939 VanDerWaalsContact O-N 3.14Å; N939-K941 PolarHBondContact O-N 3.35Å
940	E	53.5	Low	60.4	Low	129 Å²	129	89 Å²	89	60%	0.603	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.4	-176	-73.8	-172.3	166.8	0	0	114.3	Q936	Q936-E940 WeakPolarHBondContact O-CG 3.35Å; Q936-E940 PolarHBondContact O-N 3.43Å
941	K	46.1	Very low	57.9	Low	90 Å²	90	87.9 Å²	87.9	39%	0.391	43%	0.427	S	S	.	.			trans	-137.8	45.7	-153.8	-80.6	-179.8	-173.3	88.7	0	114.4	N939 P943 R974	N939-K941 PolarHBondContact O-N 3.35Å; K941-P943 WeakPolarHBondContact O-CD 3.44Å; K941-R974 VanDerWaalsContact C-NH2 3.33Å; K941-R974 PolarHBondContact O-NH1 3.28Å; K941-R974 PolarHBondContact O-NH2 3.15Å
942	N	42.9	Very low	55.6	Low	68 Å²	68	91.6 Å²	91.6	36%	0.364	45%	0.449	S	S	.	.			trans	-86.4	111.1	154.9	-136.1	0.1	0	0	0	109.5	I944 D945	N942-I944 HydrophobicContact CB-CB 4.49Å; N942-I944 PolarHBondContact O-N 3.3Å; N942-D945 HydrophobicContact CB-CB 4.2Å; N942-D945 WeakPolarHBondContact CB-OD2 3.26Å; N942-D945 PolarHBondContact ND2-OD2 3.49Å; N942-D945 PolarHBondContact O-N 3.39Å
943	P	32.5	Very low	53.3	Low	44 Å²	44	95.4 Å²	95.4	29%	0.286	47%	0.469	S	S	.	.	H	α-helix	trans	-64.1	-29.9	174.7	-1.7	14.7	0	0	0	110.9	K941 L946 Y947	K941-P943 WeakPolarHBondContact O-CD 3.44Å; P943-L946 WeakPolarHBondContact O-CB 3.18Å; P943-L946 PolarHBondContact O-N 3.03Å; P943-Y947 PolarHBondContact O-N 3.3Å
944	I	38.6	Very low	50.8	Low	55 Å²	55	97.2 Å²	97.2	28%	0.282	48%	0.482	S	S	.	.	H	α-helix	trans	-48.9	-52.7	171.8	-81.1	166.8	0	0	0	112.5	L607 N942 L946 Y947 D948	L607-I944 HydrophobicContact CB-CG2 3.67Å; L607-I944 HydrophobicContact CD1-CG2 3.54Å; L607-I944 HydrophobicContact CD2-CG2 3.99Å; L607-I944 HydrophobicContact CG-CG2 3.9Å; N942-I944 HydrophobicContact CB-CB 4.49Å; N942-I944 PolarHBondContact O-N 3.3Å; I944-L946 VanDerWaalsContact C-N 3.34Å; I944-L946 PolarHBondContact O-N 3.29Å; I944-Y947 WeakPolarHBondContact O-CB 3.39Å; I944-Y947 PolarHBondContact O-N 3.12Å; I944-D948 PolarHBondContact O-N 2.85Å; I944-D948 VanDerWaalsContact O-N 3.14Å
945	D	40.4	Very low	48.4	Very low	67 Å²	67	103.1 Å²	103.1	36%	0.358	51%	0.507	S	S	.	.	H	α-helix	trans	-74.3	-25.7	-177.5	-64.8	-49.8	0	0	0	112.7	N942 Y947 K949	N942-D945 HydrophobicContact CB-CB 4.2Å; N942-D945 WeakPolarHBondContact CB-OD2 3.26Å; N942-D945 PolarHBondContact ND2-OD2 3.49Å; N942-D945 PolarHBondContact O-N 3.39Å; D945-Y947 VanDerWaalsContact C-N 3.32Å; D945-K949 PolarHBondContact O-N 3.48Å
946	L	37.1	Very low	46.5	Very low	110 Å²	110	105.5 Å²	105.5	58%	0.576	53%	0.525	S	S	*	.	H	α-helix	trans	-71.6	-27	168.1	-85.5	158.5	0	0	0	112.5	P943 I944	P943-L946 WeakPolarHBondContact O-CB 3.18Å; P943-L946 PolarHBondContact O-N 3.03Å; I944-L946 VanDerWaalsContact C-N 3.34Å; I944-L946 PolarHBondContact O-N 3.29Å
947	Y	33.9	Very low	44.3	Very low	88 Å²	88	107.5 Å²	107.5	35%	0.345	54%	0.539	S	S	.	.	H	α-helix	trans	-76.7	-44.3	179.3	-130.6	-96.2	0	0	0	111.5	P943 I944 D945 K950 N951 K963	P943-Y947 PolarHBondContact O-N 3.3Å; I944-Y947 WeakPolarHBondContact O-CB 3.39Å; I944-Y947 PolarHBondContact O-N 3.12Å; D945-Y947 VanDerWaalsContact C-N 3.32Å; Y947-K950 PolarHBondContact O-N 3.31Å; Y947-K950 VanDerWaalsContact O-N 3.09Å; Y947-N951 WeakPolarHBondContact CD1-ND2 3.37Å; Y947-N951 PolarHBondContact O-N 3.34Å; Y947-K963 HydrophobicContact CE1-CD 4.14Å; Y947-K963 WeakPolarHBondContact OH-CD 3.23Å; Y947-K963 WeakPolarHBondContact OH-CG 3.31Å
948	D	37.5	Very low	42.5	Very low	43 Å²	43	110.7 Å²	110.7	23%	0.23	56%	0.556	C	S	.	*	H	α-helix	trans	-70.4	-33.4	178.4	-96	21.6	0	0	0	113.1	L607 I944 K950 N951 N952	L607-D948 HydrophobicContact CD1-CB 4.19Å; L607-D948 WeakPolarHBondContact CD1-OD2 3.22Å; I944-D948 PolarHBondContact O-N 2.85Å; I944-D948 VanDerWaalsContact O-N 3.14Å; D948-K950 PolarHBondContact O-N 2.88Å; D948-N951 PolarHBondContact O-N 3.49Å; D948-N952 PolarHBondContact O-N 3.43Å; D948-N952 VanDerWaalsContact O-N 3.11Å; D948-N952 PolarHBondContact O-ND2 2.81Å
949	K	42.2	Very low	41.1	Very low	168 Å²	168	111 Å²	111	73%	0.73	56%	0.56	S	S	*	*	H	α-helix	trans	-62.2	-17.2	168.9	-79.9	-176.6	176.1	178.5	0	114.1	D945	D945-K949 PolarHBondContact O-N 3.48Å
950	K	40.7	Very low	40.1	Very low	161 Å²	161	112.4 Å²	112.4	70%	0.7	56%	0.562	S	S	*	*	H	α-helix	trans	-100.7	-39.9	172.4	-75.2	-171.6	173.2	-174.6	0	113.2	Y947 D948 N952 N953	Y947-K950 PolarHBondContact O-N 3.31Å; Y947-K950 VanDerWaalsContact O-N 3.09Å; D948-K950 PolarHBondContact O-N 2.88Å; K950-N952 PolarHBondContact O-N 3.02Å; K950-N953 PolarHBondContact O-N 3.47Å
951	N	40.2	Very low	39.4	Very low	59 Å²	59	112.8 Å²	112.8	32%	0.316	57%	0.568	S	S	.	*	H	α-helix	trans	-64	-36.2	179.4	-78.9	-26.2	0	0	0	112.7	Y947 D948 N953 N954	Y947-N951 WeakPolarHBondContact CD1-ND2 3.37Å; Y947-N951 PolarHBondContact O-N 3.34Å; D948-N951 PolarHBondContact O-N 3.49Å; N951-N953 PolarHBondContact O-N 3.3Å; N951-N954 PolarHBondContact O-N 3.28Å
952	N	43.1	Very low	39.2	Very low	119 Å²	119	113.3 Å²	113.3	64%	0.636	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-18.2	179.1	-80.9	-32	0	0	0	113.8	D948 K950	D948-N952 PolarHBondContact O-N 3.43Å; D948-N952 VanDerWaalsContact O-N 3.11Å; D948-N952 PolarHBondContact O-ND2 2.81Å; K950-N952 PolarHBondContact O-N 3.02Å
953	N	43.4	Very low	39.2	Very low	135 Å²	135	114.3 Å²	114.3	72%	0.722	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-6.9	179.7	-68.6	7.7	0	0	0	113.8	K950 N951	K950-N953 PolarHBondContact O-N 3.47Å; N951-N953 PolarHBondContact O-N 3.3Å
954	N	38.8	Very low	39.5	Very low	129 Å²	129	119.3 Å²	119.3	69%	0.69	59%	0.593	S	S	*	*			trans	-137.1	93	179.6	-85.3	-20.9	0	0	0	110.5	N951 D956	N951-N954 PolarHBondContact O-N 3.28Å; N954-D956 VanDerWaalsContact C-N 3.3Å; N954-D956 PolarHBondContact O-N 3.03Å
955	K	35.8	Very low	39.7	Very low	194 Å²	194	121.3 Å²	121.3	84%	0.843	60%	0.604	S	S	*	*			trans	-92.1	40.8	175.4	-83.1	-173.1	177.9	172.3	0	113.1
956	D	40.7	Very low	39.8	Very low	147 Å²	147	121.6 Å²	121.6	79%	0.786	61%	0.605	S	S	*	*			trans	-120.4	153.2	177.8	-80.5	-67.1	0	0	0	113.2	N954	N954-D956 VanDerWaalsContact C-N 3.3Å; N954-D956 PolarHBondContact O-N 3.03Å
957	N	34.8	Very low	39.8	Very low	156 Å²	156	120.7 Å²	120.7	83%	0.834	60%	0.599	S	S	*	*			trans	-72	143.9	-171.4	-64.8	-69.5	0	0	0	112.3
958	V	40.4	Very low	40.3	Very low	121 Å²	121	124.3 Å²	124.3	73%	0.733	62%	0.617	S	S	*	*			trans	174.6	140.6	137.2	145.5	0	0	0	0	111.6
959	N	39.5	Very low	40.8	Very low	109 Å²	109	128.7 Å²	128.7	58%	0.583	63%	0.634	S	S	*	*			trans	33.8	100.6	163.1	-67.3	-19.6	0	0	0	120
960	Q	40.7	Very low	41.1	Very low	169 Å²	169	125.1 Å²	125.1	79%	0.79	62%	0.622	S	S	*	*	H	α-helix	trans	-67.5	-30.5	169.2	-68.1	179.8	-12.5	0	0	114	N962 K963	Q960-N962 PolarHBondContact O-N 3.28Å; Q960-K963 PolarHBondContact O-N 2.84Å
961	N	38.2	Very low	41.1	Very low	137 Å²	137	123 Å²	123	73%	0.733	62%	0.615	S	S	*	*	H	α-helix	trans	-64.4	-35.1	-174.1	-78.4	-4.6	0	0	0	113.9	K963	N961-K963 VanDerWaalsContact C-N 3.33Å; N961-K963 PolarHBondContact O-N 3.4Å
962	N	42.6	Very low	41.4	Very low	100 Å²	100	126.1 Å²	126.1	54%	0.535	63%	0.631	S	S	.	*	H	α-helix	trans	-69.4	-32.4	178.4	-71.8	4	0	0	0	111.8	Q960 F964 I965	Q960-N962 PolarHBondContact O-N 3.28Å; N962-F964 PolarHBondContact O-N 3.32Å; N962-I965 PolarHBondContact O-N 3.06Å
963	K	42.3	Very low	41.6	Very low	90 Å²	90	124.2 Å²	124.2	39%	0.391	63%	0.625	S	S	.	*	H	α-helix	trans	-62.2	-27.1	-178.5	-65.6	-168.3	169.1	-172.9	0	113.2	Y947 Q960 N961	Y947-K963 HydrophobicContact CE1-CD 4.14Å; Y947-K963 WeakPolarHBondContact OH-CD 3.23Å; Y947-K963 WeakPolarHBondContact OH-CG 3.31Å; Q960-K963 PolarHBondContact O-N 2.84Å; N961-K963 VanDerWaalsContact C-N 3.33Å; N961-K963 PolarHBondContact O-N 3.4Å
964	F	38.1	Very low	41.7	Very low	148 Å²	148	120.9 Å²	120.9	65%	0.649	60%	0.602	S	S	*	*	H	α-helix	trans	-73.8	-26.9	175.6	-102.5	-83.1	0	0	0	114.1	N962 M967	N962-F964 PolarHBondContact O-N 3.32Å; F964-M967 HydrophobicContact CD1-CE 3.47Å; F964-M967 VanDerWaalsContact CD1-CE 3.47Å; F964-M967 HydrophobicContact CD2-CE 4.4Å; F964-M967 HydrophobicContact CE1-CE 3.48Å; F964-M967 VanDerWaalsContact CE1-CE 3.48Å; F964-M967 HydrophobicContact CE2-CE 4.4Å; F964-M967 HydrophobicContact CG-CE 3.96Å; F964-M967 HydrophobicContact CZ-CE 3.97Å
965	I	43.4	Very low	42	Very low	97 Å²	97	118.9 Å²	118.9	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-73.3	-40.4	-178.8	-62	175.8	0	0	0	110.1	N962 M967 K968 K969	N962-I965 PolarHBondContact O-N 3.06Å; I965-M967 PolarHBondContact O-N 2.75Å; I965-K968 PolarHBondContact O-N 3.34Å; I965-K969 PolarHBondContact O-N 2.97Å
966	D	42.5	Very low	42.6	Very low	73 Å²	73	113 Å²	113	39%	0.39	57%	0.571	S	S	.	*	H	α-helix	trans	-71	-29.1	-179.5	-68.2	-30.3	0	0	0	113	K968 K969 L970	D966-K968 PolarHBondContact O-N 3.4Å; D966-K969 PolarHBondContact O-N 3.07Å; D966-K969 IonicContact OD1-NZ 3.44Å; D966-K969 PolarHBondContact OD1-NZ 3.44Å; D966-L970 WeakPolarHBondContact O-CD1 3.07Å; D966-L970 PolarHBondContact O-N 2.9Å
967	M	37.4	Very low	43.1	Very low	92 Å²	92	111.8 Å²	111.8	45%	0.453	56%	0.559	S	S	.	*	H	α-helix	trans	-57.9	-47.8	171.2	-69.9	-161.6	-64	0	0	111.6	F964 I965 K969 L970 E971	F964-M967 HydrophobicContact CD1-CE 3.47Å; F964-M967 VanDerWaalsContact CD1-CE 3.47Å; F964-M967 HydrophobicContact CD2-CE 4.4Å; F964-M967 HydrophobicContact CE1-CE 3.48Å; F964-M967 VanDerWaalsContact CE1-CE 3.48Å; F964-M967 HydrophobicContact CE2-CE 4.4Å; F964-M967 HydrophobicContact CG-CE 3.96Å; F964-M967 HydrophobicContact CZ-CE 3.97Å; I965-M967 PolarHBondContact O-N 2.75Å; M967-K969 VanDerWaalsContact C-N 3.29Å; M967-K969 PolarHBondContact O-N 3.43Å; M967-L970 PolarHBondContact O-N 2.97Å; M967-E971 PolarHBondContact O-N 2.58Å; M967-E971 VanDerWaalsContact O-N 3.1Å
968	K	44.1	Very low	43.7	Very low	164 Å²	164	109.8 Å²	109.8	71%	0.713	55%	0.547	S	S	*	.	H	α-helix	trans	-62.7	-33.3	177.3	-74.1	-169.2	172.7	-173.4	0	113	I965 D966 L970	I965-K968 PolarHBondContact O-N 3.34Å; D966-K968 PolarHBondContact O-N 3.4Å; K968-L970 VanDerWaalsContact C-N 3.34Å
969	K	47.1	Very low	43.9	Very low	135 Å²	135	109.5 Å²	109.5	59%	0.587	54%	0.536	S	S	*	.	H	α-helix	trans	-68.2	-31	173.3	-69.1	178.6	-174.2	161.1	0	113	I965 D966 M967 P973	I965-K969 PolarHBondContact O-N 2.97Å; D966-K969 PolarHBondContact O-N 3.07Å; D966-K969 IonicContact OD1-NZ 3.44Å; D966-K969 PolarHBondContact OD1-NZ 3.44Å; M967-K969 VanDerWaalsContact C-N 3.29Å; M967-K969 PolarHBondContact O-N 3.43Å; K969-P973 WeakPolarHBondContact O-CD 3.46Å
970	L	48.7	Very low	44.7	Very low	92 Å²	92	110 Å²	110	48%	0.482	53%	0.534	S	S	.	.	H	α-helix	trans	-83.1	-24.7	-180	-96.2	128.5	0	0	0	114.1	D966 M967 K968 R974	D966-L970 WeakPolarHBondContact O-CD1 3.07Å; D966-L970 PolarHBondContact O-N 2.9Å; M967-L970 PolarHBondContact O-N 2.97Å; K968-L970 VanDerWaalsContact C-N 3.34Å; L970-R974 WeakPolarHBondContact O-CD 3.35Å; L970-R974 WeakPolarHBondContact O-CG 3.15Å
971	E	42.5	Very low	45.2	Very low	118 Å²	118	108.5 Å²	108.5	55%	0.551	53%	0.531	S	S	*	.	H	α-helix	trans	-78.8	-38.5	176.9	-69.8	-164	140.4	0	0	113.6	M967 R974 I975	M967-E971 PolarHBondContact O-N 2.58Å; M967-E971 VanDerWaalsContact O-N 3.1Å; E971-R974 WeakPolarHBondContact O-CB 3.48Å; E971-R974 PolarHBondContact O-N 2.73Å; E971-I975 PolarHBondContact O-N 2.73Å
972	L	45.2	Very low	45.1	Very low	123 Å²	123	109 Å²	109	64%	0.644	52%	0.524	S	S	*	.	H	α-helix	trans	-55.1	-47.9	-176	-133.8	73.3	0	0	0	113.3	R974 I975 T976	L972-R974 VanDerWaalsContact C-N 3.25Å; L972-R974 PolarHBondContact O-N 2.61Å; L972-I975 PolarHBondContact O-N 2.79Å; L972-T976 PolarHBondContact O-N 2.87Å; L972-T976 PolarHBondContact O-OG1 3.37Å
973	P	46.6	Very low	45.4	Very low	80 Å²	80	113 Å²	113	52%	0.519	55%	0.545	S	S	.	.	H	α-helix	trans	-64.7	-26.1	177.1	-22.2	34.8	0	0	0	113.8	K969 K977	K969-P973 WeakPolarHBondContact O-CD 3.46Å; P973-K977 PolarHBondContact O-N 3.13Å
974	R	45.7	Very low	45.5	Very low	64 Å²	64	114.2 Å²	114.2	24%	0.242	55%	0.553	C	S	.	*	H	α-helix	trans	-73.3	-42.6	175.4	-63.2	168.4	166.5	-131.6	-6.8	111	K941 L970 E971 L972 T976 K977 I978	K941-R974 VanDerWaalsContact C-NH2 3.33Å; K941-R974 PolarHBondContact O-NH1 3.28Å; K941-R974 PolarHBondContact O-NH2 3.15Å; L970-R974 WeakPolarHBondContact O-CD 3.35Å; L970-R974 WeakPolarHBondContact O-CG 3.15Å; E971-R974 WeakPolarHBondContact O-CB 3.48Å; E971-R974 PolarHBondContact O-N 2.73Å; L972-R974 VanDerWaalsContact C-N 3.25Å; L972-R974 PolarHBondContact O-N 2.61Å; R974-T976 VanDerWaalsContact C-N 3.26Å; R974-T976 PolarHBondContact O-N 3.19Å; R974-K977 PolarHBondContact O-N 3.4Å; R974-I978 WeakPolarHBondContact O-CB 3.23Å; R974-I978 VanDerWaalsContact O-CG1 3.24Å; R974-I978 WeakPolarHBondContact O-CG1 3.26Å; R974-I978 PolarHBondContact O-N 3.39Å
975	I	46.2	Very low	45.9	Very low	88 Å²	88	112.4 Å²	112.4	45%	0.451	55%	0.548	S	S	.	.	H	α-helix	trans	-61.7	-38.8	174.6	-63.8	169.3	0	0	0	110	E971 L972 K979	E971-I975 PolarHBondContact O-N 2.73Å; L972-I975 PolarHBondContact O-N 2.79Å; I975-K979 WeakPolarHBondContact O-CG 3.36Å; I975-K979 PolarHBondContact O-N 3.11Å; I975-K979 VanDerWaalsContact O-N 3.15Å
976	T	47.3	Very low	46.1	Very low	69 Å²	69	113.2 Å²	113.2	42%	0.423	55%	0.551	S	S	.	*	H	α-helix	trans	-62.9	-53.9	171.8	-51.8	0	0	0	0	111.4	L972 R974 I978 K979 E980	L972-T976 PolarHBondContact O-N 2.87Å; L972-T976 PolarHBondContact O-OG1 3.37Å; R974-T976 VanDerWaalsContact C-N 3.26Å; R974-T976 PolarHBondContact O-N 3.19Å; T976-I978 VanDerWaalsContact C-N 3.27Å; T976-I978 PolarHBondContact O-N 3.16Å; T976-K979 WeakPolarHBondContact O-CA 3.46Å; T976-K979 WeakPolarHBondContact O-CB 3.45Å; T976-K979 PolarHBondContact O-N 3.23Å; T976-E980 HydrophobicContact CG2-CG 4.47Å; T976-E980 WeakPolarHBondContact CG2-OE1 3.47Å; T976-E980 WeakPolarHBondContact O-CG 3.13Å; T976-E980 PolarHBondContact O-N 2.79Å
977	K	51.3	Low	46.3	Very low	122 Å²	122	115.6 Å²	115.6	53%	0.53	56%	0.56	S	S	.	*	H	α-helix	trans	-67.5	-23.7	-177.4	-168.5	148.7	-172.6	161.3	0	114.5	P973 R974 E980 L981	P973-K977 PolarHBondContact O-N 3.13Å; R974-K977 PolarHBondContact O-N 3.4Å; K977-E980 WeakPolarHBondContact CA-OE2 3.38Å; K977-L981 HydrophobicContact CG-CD1 4.46Å; K977-L981 WeakPolarHBondContact O-CG 3.5Å; K977-L981 PolarHBondContact O-N 3.1Å
978	I	48.3	Very low	46.8	Very low	115 Å²	115	117.1 Å²	117.1	59%	0.59	57%	0.567	S	S	*	*	H	α-helix	trans	-74.5	-31.6	170.2	-69.6	166.4	0	0	0	111.2	R974 T976 Y982	R974-I978 WeakPolarHBondContact O-CB 3.23Å; R974-I978 VanDerWaalsContact O-CG1 3.24Å; R974-I978 WeakPolarHBondContact O-CG1 3.26Å; R974-I978 PolarHBondContact O-N 3.39Å; T976-I978 VanDerWaalsContact C-N 3.27Å; T976-I978 PolarHBondContact O-N 3.16Å; I978-Y982 WeakPolarHBondContact O-CB 3.29Å; I978-Y982 PolarHBondContact O-N 2.98Å
979	K	44	Very low	47	Very low	114 Å²	114	113.9 Å²	113.9	50%	0.496	56%	0.557	S	S	.	*	H	α-helix	trans	-69.5	-40.2	169	-70.2	170.6	177.3	-176.9	0	111.7	I975 T976 L981 Y982 N983	I975-K979 WeakPolarHBondContact O-CG 3.36Å; I975-K979 PolarHBondContact O-N 3.11Å; I975-K979 VanDerWaalsContact O-N 3.15Å; T976-K979 WeakPolarHBondContact O-CA 3.46Å; T976-K979 WeakPolarHBondContact O-CB 3.45Å; T976-K979 PolarHBondContact O-N 3.23Å; K979-L981 PolarHBondContact O-N 2.94Å; K979-Y982 PolarHBondContact O-N 3.22Å; K979-N983 WeakPolarHBondContact O-CB 3.22Å; K979-N983 PolarHBondContact O-N 3.43Å
980	E	56	Low	47	Very low	119 Å²	119	112.4 Å²	112.4	56%	0.556	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-16.8	175.3	-66.4	167.2	175.4	0	0	113.9	T976 K977	T976-E980 HydrophobicContact CG2-CG 4.47Å; T976-E980 WeakPolarHBondContact CG2-OE1 3.47Å; T976-E980 WeakPolarHBondContact O-CG 3.13Å; T976-E980 PolarHBondContact O-N 2.79Å; K977-E980 WeakPolarHBondContact CA-OE2 3.38Å
981	L	51.7	Low	46.9	Very low	138 Å²	138	114 Å²	114	72%	0.723	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	2.8	174.4	-69.9	170.1	0	0	0	113.1	K977 K979	K977-L981 HydrophobicContact CG-CD1 4.46Å; K977-L981 WeakPolarHBondContact O-CG 3.5Å; K977-L981 PolarHBondContact O-N 3.1Å; K979-L981 PolarHBondContact O-N 2.94Å
982	Y	36.4	Very low	47.2	Very low	148 Å²	148	113.7 Å²	113.7	58%	0.58	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.1	-30.6	179.4	-176.2	-81.4	0	0	0	112	I978 K979	I978-Y982 WeakPolarHBondContact O-CB 3.29Å; I978-Y982 PolarHBondContact O-N 2.98Å; K979-Y982 PolarHBondContact O-N 3.22Å
983	N	48.3	Very low	47.4	Very low	184 Å²	184	112.8 Å²	112.8	98%	0.984	55%	0.554	S	S	*	*			trans	-78.3	0	166.9	-65.4	-1.3	0	0	0	111.3	K979	K979-N983 WeakPolarHBondContact O-CB 3.22Å; K979-N983 PolarHBondContact O-N 3.43Å

Retrieved 983 of 983 residues in 295.5 ms (Link to these results)

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