A0A3Q0KSN7_SCHMA Loading...

Photoreceptor-specific nuclear receptor related

AlphaFold DB , UniProt , Accession A0A3Q0KSN7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,055 aa.

						>A0A3Q0KSN7_SCHMA|A0A3Q0KSN7
MEINCNETDNTSSSLQHNKNNSIKDNDPFSLHEKCTSKYEEYNHNNELIDISSFSEPNNMNMQHSYHDEIQRSQSLCSRIENSPIDNNISAQAIENNIYSLVSSLRDKSDISLLPMNQFTAPPSVQSTTGINDIYNFSSLLSNSTLWLSHLMKNSQLSMPPSINSAIWSNTSSDVNHFTEETTNSNWHSDSKNNNRVTKSYEYDITFSNNGFQPISNRAFNPIMINKQSTQADLSVEHLNLSEQSIYDRMDAYKLPKPDSTSEQVLTDGINELTSKFRDIKRVGHNGLYCIVCGDISSGKHYGILACNGCSGFFKRSVRRKLIYRCQAGNGLCIIDKAHRNQCQACRMKKCIRMGMNKDAVQNERQPRKSSHFAAQGNSTPSKRQTLEISHSPNDKAFISESANSQLMNDKSFGESISIPKDCSNHSASSDYTPLNENNLSESVNTFEKIFANESEWIQTHRLRQNSHVLKRSNSLHHRRLSNRKFNNKIGAFNEPKFIDTTKLHHYLIGDNLPLCFTNTQQNTISSTTENSNNFCFIPSVSVTNDTTNYHPFYMNQFPTINLPTSEPTSTTTDNLDHRAPRPSSSYSDVKMQKFYLHLLNIFNLSNNLKVANGEILSPGRNDTTDGVARKTLEYINNLPESKCQQTSENLTSHTKNRDIGLSINNILKSLHNSYLSDCIYGSDEIPGSKTTNHLPMNNFNSTPTPNSYFLPTNNSSHLLNKNNIDDTSSIVCQASGNKNSAESDKQNKDEKETRDLLLNRTIQQFEEYMKAYSLQSSLTTVKCNEINNVISNDKSLKKSSYLASPNTGTISDDVKSSFSAFPVCTKNDLDKWFHVQSKDQLQYSNEILSQLKSDFANQTNSFIDYIFESNNSVTRYPGSQAIIQKMFSASFYPLIEKLLNWVAGIPHFDSLSKQDQKILFSRTWMNVLMLFWLESQQQQLQNPWNRTSSKCQLTENCWSLPTDLCEEYRNIQPDTIELNLLKMILLFNVNPLEISRSESIDYIQRQLRLQLTQYEWITHPNNISRCNQLLLLNASIQKLDKTIFKDNIFIENIS
					

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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	29.7	Very low	30	Very low	220 Å²	220	138.4 Å²	138.4	100%	1.084	74%	0.737	S	S	*	*				0	75.4	0	-63.4	168.9	-175.6	0	0	106.6
2	E	23.4	Very low	29.9	Very low	163 Å²	163	135.5 Å²	135.5	76%	0.762	74%	0.737	S	S	*	*				80.7	136.7	65.6	-68.8	159.2	138.9	0	0	110.5
3	I	29.9	Very low	30	Very low	142 Å²	142	134.5 Å²	134.5	73%	0.728	75%	0.746	S	S	*	*			cis	-150.4	141.4	13.1	-115.8	151.5	0	0	0	107.3
4	N	28.3	Very low	29.9	Very low	141 Å²	141	132.6 Å²	132.6	75%	0.754	75%	0.746	S	S	*	*				44.4	151.4	98	-79.7	15.9	0	0	0	115.6
5	C	28.2	Very low	29.8	Very low	91 Å²	91	133.9 Å²	133.9	62%	0.615	75%	0.75	S	S	*	*			cis	-171.7	171.7	-1.1	-100.9	0	0	0	0	106.5
6	N	30.5	Very low	29.8	Very low	117 Å²	117	135.4 Å²	135.4	63%	0.626	75%	0.749	S	S	*	*			cis	-169.3	178.9	-11.3	-114.8	21.4	0	0	0	110.1
7	E	32.4	Very low	29.9	Very low	156 Å²	156	136.1 Å²	136.1	73%	0.729	75%	0.745	S	S	*	*			trans	66.1	161	147.8	-74.4	142.7	-131.8	0	0	121.1
8	T	30.5	Very low	30.1	Very low	108 Å²	108	134.9 Å²	134.9	66%	0.663	74%	0.738	S	S	*	*				-163.5	178.6	-52.3	37.1	0	0	0	0	110.2
9	D	32.9	Very low	30.2	Very low	130 Å²	130	136.6 Å²	136.6	70%	0.695	74%	0.737	S	S	*	*			trans	79.1	154.4	152	-64.9	-57.9	0	0	0	121.8
10	N	30.7	Very low	30.3	Very low	128 Å²	128	136.2 Å²	136.2	68%	0.684	73%	0.734	S	S	*	*			cis	-170.5	174	-41	-131.3	-47.9	0	0	0	112.2
11	T	33	Very low	30.4	Very low	126 Å²	126	137 Å²	137	77%	0.773	74%	0.739	S	S	*	*			trans	70.6	172.2	165.7	73.2	0	0	0	0	120.8
12	S	29.1	Very low	30.4	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	72%	0.718	S	S	*	*				-173.4	-179.5	-79.4	60.4	0	0	0	0	113.7
13	S	31.9	Very low	30.7	Very low	122 Å²	122	130 Å²	130	85%	0.853	72%	0.716	S	S	*	*			trans	97.4	169.4	163.5	82	0	0	0	0	120.8
14	S	27.7	Very low	30.7	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	72%	0.717	S	S	*	*			trans	-163.8	174.8	-149.2	58.5	0	0	0	0	114.4
15	L	29.5	Very low	30.9	Very low	152 Å²	152	130.1 Å²	130.1	80%	0.796	71%	0.71	S	S	*	*			trans	162.8	128.2	158.3	-87	153.1	0	0	0	107.9
16	Q	28.4	Very low	31	Very low	159 Å²	159	133.2 Å²	133.2	74%	0.743	72%	0.721	S	S	*	*				77.3	113.7	52.2	-74.2	-162.6	-6.9	0	0	117.5
17	H	33	Very low	30.9	Very low	147 Å²	147	135 Å²	135	68%	0.681	73%	0.73	S	S	*	*				168.7	143.2	108.5	-105.2	-50.9	0	0	0	117.1
18	N	32.1	Very low	30.8	Very low	114 Å²	114	131.9 Å²	131.9	61%	0.61	72%	0.724	S	S	*	*			trans	64.7	147.7	138	-66.5	-17.1	0	0	0	121.9
19	K	32.1	Very low	30.8	Very low	168 Å²	168	136.1 Å²	136.1	73%	0.73	73%	0.734	S	S	*	*			cis	-170.3	164.3	-15.3	-122.3	176.4	-176.4	-179.2	0	113.3
20	N	32.2	Very low	30.3	Very low	127 Å²	127	134.8 Å²	134.8	68%	0.679	73%	0.734	S	S	*	*			trans	88	132.9	147.3	-69.5	0.9	0	0	0	123.3
21	N	32.5	Very low	30	Very low	154 Å²	154	136.1 Å²	136.1	82%	0.824	74%	0.74	S	S	*	*			trans	73.3	138.1	153.6	-58.1	-3.4	0	0	0	119.6
22	S	30.7	Very low	29.8	Very low	92 Å²	92	136.4 Å²	136.4	64%	0.643	73%	0.733	S	S	*	*			cis	-168.5	122.5	-16.8	173.8	0	0	0	0	111.6
23	I	28.8	Very low	29.6	Very low	143 Å²	143	138.7 Å²	138.7	73%	0.733	73%	0.732	S	S	*	*			trans	40.3	118.9	139.5	-53.1	171.2	0	0	0	116.4
24	K	30.8	Very low	29.5	Very low	171 Å²	171	141.2 Å²	141.2	74%	0.743	73%	0.728	S	S	*	*				-168.2	139.6	72.6	-150.3	147.2	-169.4	-178.4	0	115.3
25	D	31.4	Very low	29.3	Very low	115 Å²	115	141.8 Å²	141.8	62%	0.615	73%	0.731	S	S	*	*			trans	34.8	131.2	146	-45.6	-5.3	0	0	0	120.1
26	N	31.8	Very low	29.2	Very low	156 Å²	156	141.9 Å²	141.9	83%	0.834	74%	0.738	S	S	*	*			cis	-156	156.8	0.6	-94.6	-28.2	0	0	0	112.6
27	D	28.4	Very low	28.9	Very low	154 Å²	154	138.9 Å²	138.9	82%	0.824	73%	0.734	S	S	*	*			trans	-82.5	-172.7	178.2	-90.9	-53.3	0	0	0	114.5
28	P	29.5	Very low	28.5	Very low	92 Å²	92	140 Å²	140	60%	0.597	74%	0.737	S	S	*	*			cis	-128.1	-173.1	-34.3	30.6	-9.5	0	0	0	110.9
29	F	29.5	Very low	28.2	Very low	197 Å²	197	144.4 Å²	144.4	86%	0.864	75%	0.746	S	S	*	*			cis	-140.8	140.8	14.5	-93.7	-80.8	0	0	0	111.5
30	S	22.6	Very low	27.7	Very low	102 Å²	102	144.8 Å²	144.8	71%	0.713	75%	0.751	S	S	*	*			trans	-142.1	-171.4	148	69.4	0	0	0	0	107.7
31	L	25.9	Very low	27.3	Very low	155 Å²	155	146.9 Å²	146.9	81%	0.812	76%	0.757	S	S	*	*			trans	80.3	140	-171.7	-53.6	169.9	0	0	0	113.9
32	H	28	Very low	27	Very low	132 Å²	132	148.4 Å²	148.4	61%	0.611	75%	0.752	S	S	*	*			cis	-155.7	156.5	-17.4	-164.9	-71.9	0	0	0	109.1
33	E	25.5	Very low	27	Very low	152 Å²	152	150.9 Å²	150.9	71%	0.71	76%	0.758	S	S	*	*			trans	-63.9	158.9	167.5	-45.9	168.2	108.9	0	0	112.9
34	K	29	Very low	27.3	Very low	175 Å²	175	152.8 Å²	152.8	76%	0.761	76%	0.764	S	S	*	*				-178.5	155.1	107.2	-100.6	155.4	-174.8	168.6	0	113.1
35	C	23.6	Very low	27.4	Very low	121 Å²	121	150.8 Å²	150.8	82%	0.818	76%	0.761	S	S	*	*			trans	-88.7	157.3	179.1	-58.9	0	0	0	0	111.9
36	T	27.5	Very low	27.2	Very low	154 Å²	154	151.1 Å²	151.1	95%	0.945	76%	0.763	S	S	*	*				-159.4	176.7	126.2	16.7	0	0	0	0	110.5
37	S	22.4	Very low	27.2	Very low	96 Å²	96	151.2 Å²	151.2	67%	0.671	76%	0.758	S	S	*	*			trans	-140.5	153.7	-163.3	66.3	0	0	0	0	113.5
38	K	24.2	Very low	27	Very low	169 Å²	169	152 Å²	152	74%	0.735	76%	0.762	S	S	*	*			trans	69.3	147.5	-177.4	-46.8	176	-178.3	178.6	0	111.9
39	Y	25.2	Very low	27	Very low	207 Å²	207	154.7 Å²	154.7	81%	0.812	77%	0.77	S	S	*	*			cis	-137.9	-167.8	31.4	-96.3	-89.4	0	0	0	113.3
40	E	22.9	Very low	26.7	Very low	177 Å²	177	151.9 Å²	151.9	83%	0.827	76%	0.764	S	S	*	*			trans	-81.8	-178.8	172.1	-64.8	168.1	118.1	0	0	112.1
41	E	24	Very low	27	Very low	170 Å²	170	152.9 Å²	152.9	79%	0.794	76%	0.759	S	S	*	*			trans	91.5	119	161.5	-53.2	-154.9	110.8	0	0	120.7
42	Y	24.6	Very low	26.8	Very low	186 Å²	186	150.7 Å²	150.7	73%	0.729	76%	0.757	S	S	*	*			trans	28.2	133.4	146.5	-63	-83.3	0	0	0	122.9	N46	Y42-N46 WeakPolarHBondContact CB-OD1 3.4Å; Y42-N46 WeakPolarHBondContact CD1-OD1 3.17Å; Y42-N46 VanDerWaalsContact CG-OD1 3.29Å
43	N	31.2	Very low	26.6	Very low	145 Å²	145	148.2 Å²	148.2	78%	0.775	76%	0.755	S	S	*	*			trans	-73.4	150.6	166.3	-166.2	10.1	0	0	0	111.3	N45 N46	N43-N45 PolarHBondContact O-N 2.61Å; N43-N46 PolarHBondContact O-N 3.43Å
44	H	34.8	Very low	26.6	Very low	183 Å²	183	151 Å²	151	85%	0.847	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	-9.1	-153.1	-98.8	-67.8	0	0	0	119.1
45	N	33	Very low	26.4	Very low	129 Å²	129	148 Å²	148	69%	0.69	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-8.7	-178.1	-72.8	13.6	0	0	0	115	N43 E47	N43-N45 PolarHBondContact O-N 2.61Å; N45-E47 PolarHBondContact O-N 3Å; N45-E47 VanDerWaalsContact O-N 3.09Å
46	N	28.6	Very low	26.5	Very low	122 Å²	122	150.3 Å²	150.3	65%	0.652	77%	0.765	S	S	*	*			trans	57.9	14.1	-177.4	-99	-4.3	0	0	0	117.1	Y42 N43	Y42-N46 WeakPolarHBondContact CB-OD1 3.4Å; Y42-N46 WeakPolarHBondContact CD1-OD1 3.17Å; Y42-N46 VanDerWaalsContact CG-OD1 3.29Å; N43-N46 PolarHBondContact O-N 3.43Å
47	E	30	Very low	26.6	Very low	157 Å²	157	149 Å²	149	73%	0.734	76%	0.758	S	S	*	*			trans	-96	145.2	178	-68.5	-178.3	131	0	0	112.9	N45	N45-E47 PolarHBondContact O-N 3Å; N45-E47 VanDerWaalsContact O-N 3.09Å
48	L	25.3	Very low	26.7	Very low	172 Å²	172	151 Å²	151	90%	0.901	76%	0.762	S	S	*	*			trans	-71	135.1	168	-91.4	76.2	0	0	0	110
49	I	28.7	Very low	26.9	Very low	148 Å²	148	150.7 Å²	150.7	76%	0.759	77%	0.768	S	S	*	*			trans	-118.3	105.9	161.6	-54.7	-177.1	0	0	0	108	I51	I49-I51 HydrophobicContact CG2-CD1 3.98Å; I49-I51 HydrophobicContact CG2-CG1 3.79Å
50	D	23.8	Very low	26.8	Very low	138 Å²	138	148.3 Å²	148.3	74%	0.738	77%	0.766	S	S	*	*			trans	-83.7	131.5	170.4	-173.8	5.4	0	0	0	109.1	S52	D50-S52 PolarHBondContact OD1-N 3.47Å
51	I	28.8	Very low	26.9	Very low	122 Å²	122	147.8 Å²	147.8	63%	0.626	77%	0.769	S	S	*	*			trans	-134.1	65.7	178.5	-45.8	-175.8	0	0	0	109.5	I49 S53	I49-I51 HydrophobicContact CG2-CD1 3.98Å; I49-I51 HydrophobicContact CG2-CG1 3.79Å; I51-S53 PolarHBondContact O-N 2.97Å
52	S	21.4	Very low	27	Very low	110 Å²	110	149 Å²	149	77%	0.769	78%	0.777	S	S	*	*			trans	-73.3	48.6	169	71.3	0	0	0	0	112.8	D50	D50-S52 PolarHBondContact OD1-N 3.47Å
53	S	23.8	Very low	27	Very low	79 Å²	79	148.9 Å²	148.9	55%	0.552	78%	0.783	S	S	*	*			trans	-166.4	116.2	175.9	58.9	0	0	0	0	113.6	I51	I51-S53 PolarHBondContact O-N 2.97Å
54	F	26.6	Very low	26.7	Very low	212 Å²	212	151.3 Å²	151.3	93%	0.93	79%	0.789	S	S	*	*			trans	-163.3	134.7	132.4	-110.9	-70.5	0	0	0	109.8
55	S	24.9	Very low	26.5	Very low	111 Å²	111	147.2 Å²	147.2	78%	0.776	78%	0.781	S	S	*	*			trans	-112	153.4	-173	54.6	0	0	0	0	112.7
56	E	24.5	Very low	26.2	Very low	170 Å²	170	149 Å²	149	79%	0.794	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.8	154.1	178.3	-54.1	172.1	138.7	0	0	113.8
57	P	29.5	Very low	26.2	Very low	125 Å²	125	150.4 Å²	150.4	81%	0.812	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-100.5	122.4	153.3	33.8	-25.2	0	0	0	111.2
58	N	25.1	Very low	26.1	Very low	140 Å²	140	148 Å²	148	75%	0.749	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66.2	153	172	-73.4	-90.3	0	0	0	111.8
59	N	28.2	Very low	26.4	Very low	162 Å²	162	146 Å²	146	87%	0.866	76%	0.76	S	S	*	*			trans	-146.4	133.2	144.5	-150.2	-6.8	0	0	0	112.2
60	M	23.4	Very low	26.4	Very low	156 Å²	156	143.8 Å²	143.8	77%	0.768	75%	0.749	S	S	*	*			trans	-117.6	126.6	180	-81.7	-98.3	-159.7	0	0	108.5
61	N	25.3	Very low	26.8	Very low	166 Å²	166	143.8 Å²	143.8	89%	0.888	74%	0.744	S	S	*	*			trans	170.9	104.9	144.7	-92.1	-34.4	0	0	0	112
62	M	26.5	Very low	26.8	Very low	196 Å²	196	146.4 Å²	146.4	97%	0.966	75%	0.747	S	S	*	*			trans	178.8	88.3	133.5	-103.3	-171.2	151.6	0	0	110.5
63	Q	23.2	Very low	27.3	Very low	183 Å²	183	144.6 Å²	144.6	86%	0.855	73%	0.734	S	S	*	*			trans	-95.4	164.3	158.8	-70.1	-178.7	-28.2	0	0	109.1
64	H	25.8	Very low	27.6	Very low	196 Å²	196	147.5 Å²	147.5	91%	0.907	74%	0.739	S	S	*	*	S	Bend	trans	86	82	-173	-54.5	-76.4	0	0	0	116.8
65	S	29.9	Very low	27.7	Very low	97 Å²	97	140.6 Å²	140.6	68%	0.678	72%	0.717	S	S	*	*	S	Bend	trans	-163.6	-48	150	-171	0	0	0	0	111.7	H67	S65-H67 VanDerWaalsContact C-N 3.27Å; S65-H67 PolarHBondContact O-N 3.15Å
66	Y	25.9	Very low	27.8	Very low	168 Å²	168	141.3 Å²	141.3	66%	0.659	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	5.2	-163.7	-92.9	-87	0	0	0	118.7
67	H	29.6	Very low	27.9	Very low	150 Å²	150	138.2 Å²	138.2	69%	0.694	71%	0.707	S	S	*	*	H	α-helix	trans	-90.7	-19.1	-171.1	-148.6	-63.6	0	0	0	114.6	S65	S65-H67 VanDerWaalsContact C-N 3.27Å; S65-H67 PolarHBondContact O-N 3.15Å
68	D	28.8	Very low	27.7	Very low	108 Å²	108	136 Å²	136	58%	0.578	69%	0.694	S	S	*	*	H	α-helix	trans	-92.9	-23.7	-174	-71.1	-13.5	0	0	0	114
69	E	29.9	Very low	27.8	Very low	128 Å²	128	136.1 Å²	136.1	60%	0.598	68%	0.684	S	S	*	*	H	α-helix	trans	-81.5	-30.3	-177.8	-63.9	-165	119.2	0	0	112.9	Q71 R72	E69-Q71 VanDerWaalsContact C-N 3.32Å; E69-Q71 PolarHBondContact O-N 3.34Å; E69-R72 PolarHBondContact O-N 3.11Å; E69-R72 VanDerWaalsContact O-N 3.13Å
70	I	30.1	Very low	27.8	Very low	103 Å²	103	135.5 Å²	135.5	53%	0.528	68%	0.679	S	S	.	*	H	α-helix	trans	-65.6	-37.6	178.1	-62.7	178.4	0	0	0	110.6	R72 S73	I70-R72 PolarHBondContact O-N 2.86Å; I70-S73 PolarHBondContact O-N 2.81Å; I70-S73 PolarHBondContact O-OG 2.75Å
71	Q	31.6	Very low	28	Very low	137 Å²	137	136.1 Å²	136.1	64%	0.64	68%	0.681	S	S	*	*	H	α-helix	trans	-64.8	-23.4	175	-74.1	-168.9	-23.2	0	0	113.9	E69	E69-Q71 VanDerWaalsContact C-N 3.32Å; E69-Q71 PolarHBondContact O-N 3.34Å
72	R	29.3	Very low	28	Very low	178 Å²	178	135 Å²	135	67%	0.672	68%	0.675	S	S	*	*	H	α-helix	trans	-79.1	-19.6	177.2	-69	-172.6	179.9	121.5	5.7	114.1	E69 I70 S75	E69-R72 PolarHBondContact O-N 3.11Å; E69-R72 VanDerWaalsContact O-N 3.13Å; I70-R72 PolarHBondContact O-N 2.86Å; R72-S75 PolarHBondContact O-OG 3.01Å
73	S	30.6	Very low	28	Very low	72 Å²	72	130.9 Å²	130.9	50%	0.503	67%	0.665	S	S	.	*	H	α-helix	trans	-88.6	-22.1	-179	61.4	0	0	0	0	114.1	I70 S75	I70-S73 PolarHBondContact O-N 2.81Å; I70-S73 PolarHBondContact O-OG 2.75Å; S73-S75 VanDerWaalsContact C-N 3.29Å; S73-S75 PolarHBondContact O-N 2.7Å
74	Q	30.9	Very low	28.1	Very low	140 Å²	140	128 Å²	128	65%	0.654	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-6.7	-177.1	-68.1	-178.4	-32.9	0	0	114.3
75	S	28.1	Very low	28.1	Very low	66 Å²	66	125.6 Å²	125.6	46%	0.462	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	-8.1	179.3	57.4	0	0	0	0	114.8	R72 S73 S78	R72-S75 PolarHBondContact O-OG 3.01Å; S73-S75 VanDerWaalsContact C-N 3.29Å; S73-S75 PolarHBondContact O-N 2.7Å; S75-S78 PolarHBondContact O-OG 3.46Å
76	L	27.5	Very low	27.9	Very low	126 Å²	126	128.6 Å²	128.6	66%	0.66	66%	0.663	S	S	*	*	S	Bend	trans	-93.1	-31.9	-176.5	-90.8	156.7	0	0	0	113.9	S78	L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 2.91Å
77	C	26.3	Very low	27.9	Very low	106 Å²	106	127 Å²	127	72%	0.716	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-76.5	-17.1	-178.9	-64.1	0	0	0	0	113.4
78	S	25.8	Very low	27.7	Very low	77 Å²	77	127.7 Å²	127.7	54%	0.538	68%	0.675	S	S	.	*	G	3₁₀ helix	trans	-89.9	9	-176.1	46.6	0	0	0	0	114.7	S75 L76	S75-S78 PolarHBondContact O-OG 3.46Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-S78 PolarHBondContact O-N 2.91Å
79	R	26.7	Very low	27.6	Very low	143 Å²	143	129.7 Å²	129.7	54%	0.54	68%	0.684	S	S	.	*	G	3₁₀ helix	trans	-107	1.1	-176.2	-73.3	-174.9	169.4	-142.8	-11.8	115.7	E530	R79-E530 IonicContact CZ-OE1 2.79Å; R79-E530 IonicContact CZ-OE2 3.17Å; R79-E530 IonicContact NH1-OE1 2.75Å; R79-E530 PolarHBondContact NH1-OE1 3.39Å; R79-E530 IonicContact NH1-OE2 2.71Å; R79-E530 IonicContact NH2-OE1 3.3Å; R79-E530 PolarHBondContact NH2-OE1 3.19Å; R79-E530 IonicContact NH2-OE2 2.71Å; R79-E530 PolarHBondContact NH2-OE2 2.84Å
80	I	29.7	Very low	27.5	Very low	149 Å²	149	127.6 Å²	127.6	76%	0.764	68%	0.683	S	S	*	*	S	Bend	trans	-106.9	-21.5	-173.6	-63.4	178.1	0	0	0	113	N82	I80-N82 PolarHBondContact O-N 3.33Å
81	E	26.5	Very low	27.3	Very low	170 Å²	170	126.1 Å²	126.1	79%	0.794	69%	0.687	S	S	*	*	S	Bend	trans	-89.7	5.3	-174.4	-61.4	-175.4	135.3	0	0	115.1
82	N	26.3	Very low	27.3	Very low	143 Å²	143	125.3 Å²	125.3	77%	0.765	68%	0.683	S	S	*	*			trans	-139.5	71.9	-170.8	-73.2	-78.9	0	0	0	114.6	I80	I80-N82 PolarHBondContact O-N 3.33Å
83	S	26.4	Very low	27.3	Very low	109 Å²	109	118.5 Å²	118.5	76%	0.762	67%	0.665	S	S	*	*			trans	-149.7	148.7	155.8	58	0	0	0	0	110.9
84	P	24.9	Very low	27.5	Very low	123 Å²	123	120.4 Å²	120.4	80%	0.799	67%	0.668	S	S	*	*			trans	-78.3	164.2	-173	32	-36.1	0	0	0	113.4	D86	P84-D86 PolarHBondContact O-N 3.26Å
85	I	26.2	Very low	27.6	Very low	145 Å²	145	118.3 Å²	118.3	74%	0.744	66%	0.658	S	S	*	*			trans	-59	127.8	176.2	-59.8	163	0	0	0	110.5	N87	I85-N87 WeakPolarHBondContact CG2-ND2 3.36Å
86	D	24.4	Very low	27.9	Very low	160 Å²	160	120.2 Å²	120.2	86%	0.856	66%	0.663	S	S	*	*			trans	-136.9	120.8	150	-130.6	-27.4	0	0	0	110	P84 N88	P84-D86 PolarHBondContact O-N 3.26Å; D86-N88 PolarHBondContact O-N 3.03Å
87	N	26.1	Very low	28.1	Very low	133 Å²	133	119.8 Å²	119.8	71%	0.711	66%	0.662	S	S	*	*			trans	-89.2	89.7	-171.1	-63.9	-66.7	0	0	0	110.2	I85	I85-N87 WeakPolarHBondContact CG2-ND2 3.36Å
88	N	26.2	Very low	28.6	Very low	165 Å²	165	119.4 Å²	119.4	88%	0.882	65%	0.651	S	S	*	*			trans	-178.6	73.7	157.6	-94	-38	0	0	0	113.3	D86	D86-N88 PolarHBondContact O-N 3.03Å
89	I	25.9	Very low	28.8	Very low	150 Å²	150	123.6 Å²	123.6	77%	0.769	66%	0.656	S	S	*	*			trans	-132.2	127.1	162.8	-58.1	-178.2	0	0	0	108.7	A93	I89-A93 HydrophobicContact CG2-CB 3.61Å
90	S	27.9	Very low	29	Very low	84 Å²	84	120.2 Å²	120.2	59%	0.587	66%	0.655	S	S	*	*			trans	-80.1	155.4	-175.2	61.9	0	0	0	0	112.8	Q92 A93	S90-Q92 PolarHBondContact O-N 2.92Å; S90-A93 PolarHBondContact O-N 3.16Å
91	A	26.8	Very low	29	Very low	73 Å²	73	118.9 Å²	118.9	60%	0.603	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	-29	-178.3	0	0	0	0	0	114	A93 I94 E95	A91-A93 PolarHBondContact O-N 3.39Å; A91-I94 WeakPolarHBondContact O-CB 3.49Å; A91-I94 PolarHBondContact O-N 3.28Å; A91-E95 PolarHBondContact O-N 2.81Å
92	Q	30.8	Very low	29.3	Very low	120 Å²	120	114.4 Å²	114.4	56%	0.561	63%	0.633	S	S	*	*	H	α-helix	trans	-56.7	-31.7	177.2	-135.3	83.8	72.5	0	0	113.6	S90 I94 E95 N96	S90-Q92 PolarHBondContact O-N 2.92Å; Q92-I94 VanDerWaalsContact C-N 3.3Å; Q92-I94 PolarHBondContact O-N 2.88Å; Q92-E95 PolarHBondContact NE2-OE2 3.09Å; Q92-N96 VanDerWaalsContact O-CG 3.27Å; Q92-N96 PolarHBondContact O-N 2.95Å; Q92-N96 PolarHBondContact O-ND2 2.59Å
93	A	29.9	Very low	29.6	Very low	35 Å²	35	110.9 Å²	110.9	29%	0.289	62%	0.62	S	S	.	*	H	α-helix	trans	-72.2	-24.9	177.9	0	0	0	0	0	112.6	I89 S90 A91 N97	I89-A93 HydrophobicContact CG2-CB 3.61Å; S90-A93 PolarHBondContact O-N 3.16Å; A91-A93 PolarHBondContact O-N 3.39Å; A93-N97 PolarHBondContact O-ND2 3.24Å
94	I	33.8	Very low	29.8	Very low	111 Å²	111	110 Å²	110	57%	0.569	61%	0.613	S	S	*	*	H	α-helix	trans	-80.4	-45.6	177.8	-59.1	176.4	0	0	0	109.4	A91 Q92 N96 N97 I98	A91-I94 WeakPolarHBondContact O-CB 3.49Å; A91-I94 PolarHBondContact O-N 3.28Å; Q92-I94 VanDerWaalsContact C-N 3.3Å; Q92-I94 PolarHBondContact O-N 2.88Å; I94-N96 PolarHBondContact O-N 3.47Å; I94-N97 PolarHBondContact O-N 3.14Å; I94-I98 HydrophobicContact CG2-CD1 3.92Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 3.5Å; I94-I98 VanDerWaalsContact O-N 3.1Å
95	E	32.7	Very low	30	Very low	97 Å²	97	111.1 Å²	111.1	45%	0.453	61%	0.612	S	S	.	*	H	α-helix	trans	-56.1	-47.6	175.1	-69.2	-176.8	129.9	0	0	112.4	A91 Q92 N97 I98 Y99	A91-E95 PolarHBondContact O-N 2.81Å; Q92-E95 PolarHBondContact NE2-OE2 3.09Å; E95-N97 VanDerWaalsContact C-N 3.3Å; E95-N97 PolarHBondContact O-N 2.77Å; E95-I98 PolarHBondContact O-N 3.26Å; E95-Y99 PolarHBondContact O-N 3.41Å
96	N	34	Very low	30.1	Very low	105 Å²	105	113.8 Å²	113.8	56%	0.561	61%	0.612	S	S	*	*	H	α-helix	trans	-62.1	-35.6	-178.3	-73.5	-21.9	0	0	0	113	Q92 I94 S100	Q92-N96 VanDerWaalsContact O-CG 3.27Å; Q92-N96 PolarHBondContact O-N 2.95Å; Q92-N96 PolarHBondContact O-ND2 2.59Å; I94-N96 PolarHBondContact O-N 3.47Å; N96-S100 WeakPolarHBondContact O-CB 3.45Å; N96-S100 PolarHBondContact O-N 2.72Å; N96-S100 VanDerWaalsContact O-N 3.08Å
97	N	31.9	Very low	30.2	Very low	118 Å²	118	113.2 Å²	113.2	63%	0.631	61%	0.609	S	S	*	*	H	α-helix	trans	-72.7	-38.2	176.3	-79.6	-60.8	0	0	0	112.1	A93 I94 E95 S100 L101	A93-N97 PolarHBondContact O-ND2 3.24Å; I94-N97 PolarHBondContact O-N 3.14Å; E95-N97 VanDerWaalsContact C-N 3.3Å; E95-N97 PolarHBondContact O-N 2.77Å; N97-S100 PolarHBondContact O-N 2.9Å; N97-L101 PolarHBondContact O-N 3.43Å; N97-L101 VanDerWaalsContact O-N 3.11Å
98	I	36.7	Very low	30.2	Very low	97 Å²	97	115.9 Å²	115.9	50%	0.497	62%	0.615	S	S	.	*	H	α-helix	trans	-64.3	-44.8	174	-66.4	169	0	0	0	110.4	I94 E95 S100 L101 V102	I94-I98 HydrophobicContact CG2-CD1 3.92Å; I94-I98 WeakPolarHBondContact O-CG1 3.35Å; I94-I98 PolarHBondContact O-N 3.5Å; I94-I98 VanDerWaalsContact O-N 3.1Å; E95-I98 PolarHBondContact O-N 3.26Å; I98-S100 VanDerWaalsContact C-N 3.34Å; I98-S100 PolarHBondContact O-N 3.39Å; I98-L101 PolarHBondContact O-N 3.3Å; I98-V102 HydrophobicContact CG2-CG2 4.25Å; I98-V102 WeakPolarHBondContact O-CB 3.31Å; I98-V102 WeakPolarHBondContact O-CG2 3.28Å; I98-V102 PolarHBondContact O-N 3.04Å
99	Y	31.1	Very low	30.4	Very low	165 Å²	165	113.1 Å²	113.1	65%	0.647	61%	0.608	S	S	*	*	H	α-helix	trans	-61.7	-38.4	176.5	-98	-84.9	0	0	0	113.1	E95 S103	E95-Y99 PolarHBondContact O-N 3.41Å; Y99-S103 VanDerWaalsContact O-CB 3.3Å; Y99-S103 WeakPolarHBondContact O-CB 3.38Å; Y99-S103 PolarHBondContact O-N 2.76Å; Y99-S103 PolarHBondContact O-OG 2.96Å
100	S	30.9	Very low	30.4	Very low	73 Å²	73	113.8 Å²	113.8	51%	0.51	61%	0.613	S	S	.	*	H	α-helix	trans	-63.1	-43.6	174.7	-173.9	0	0	0	0	112.1	N96 N97 I98 S103 S104	N96-S100 WeakPolarHBondContact O-CB 3.45Å; N96-S100 PolarHBondContact O-N 2.72Å; N96-S100 VanDerWaalsContact O-N 3.08Å; N97-S100 PolarHBondContact O-N 2.9Å; I98-S100 VanDerWaalsContact C-N 3.34Å; I98-S100 PolarHBondContact O-N 3.39Å; S100-S103 PolarHBondContact O-N 2.96Å; S100-S104 PolarHBondContact O-N 2.87Å; S100-S104 VanDerWaalsContact O-N 3.08Å; S100-S104 PolarHBondContact O-OG 2.91Å
101	L	29.7	Very low	30.2	Very low	121 Å²	121	117.2 Å²	117.2	63%	0.634	62%	0.623	S	S	*	*	H	α-helix	trans	-67.4	-44	179.2	-157.6	76.7	0	0	0	112	N97 I98 S103 S104 L105	N97-L101 PolarHBondContact O-N 3.43Å; N97-L101 VanDerWaalsContact O-N 3.11Å; I98-L101 PolarHBondContact O-N 3.3Å; L101-S103 VanDerWaalsContact C-N 3.35Å; L101-S104 PolarHBondContact O-N 3.24Å; L101-L105 WeakPolarHBondContact O-CG 3.45Å; L101-L105 PolarHBondContact O-N 3.48Å
102	V	32.3	Very low	30.1	Very low	76 Å²	76	119 Å²	119	46%	0.461	63%	0.632	S	S	.	*	H	α-helix	trans	-67.8	-33.1	178.1	171.4	0	0	0	0	112	I98	I98-V102 HydrophobicContact CG2-CG2 4.25Å; I98-V102 WeakPolarHBondContact O-CB 3.31Å; I98-V102 WeakPolarHBondContact O-CG2 3.28Å; I98-V102 PolarHBondContact O-N 3.04Å
103	S	33.3	Very low	29.8	Very low	69 Å²	69	120.3 Å²	120.3	48%	0.483	64%	0.642	S	S	.	*	H	α-helix	trans	-70.4	-44.5	175.6	-57.1	0	0	0	0	111.8	Y99 S100 L101 L105 R106	Y99-S103 VanDerWaalsContact O-CB 3.3Å; Y99-S103 WeakPolarHBondContact O-CB 3.38Å; Y99-S103 PolarHBondContact O-N 2.76Å; Y99-S103 PolarHBondContact O-OG 2.96Å; S100-S103 PolarHBondContact O-N 2.96Å; L101-S103 VanDerWaalsContact C-N 3.35Å; S103-L105 PolarHBondContact O-N 2.89Å; S103-L105 VanDerWaalsContact O-N 3.12Å; S103-R106 PolarHBondContact O-N 3.35Å
104	S	29.5	Very low	29.5	Very low	90 Å²	90	126.6 Å²	126.6	63%	0.629	67%	0.669	S	S	*	*	H	α-helix	trans	-63	-19.4	-179.9	-55.4	0	0	0	0	114	S100 L101	S100-S104 PolarHBondContact O-N 2.87Å; S100-S104 VanDerWaalsContact O-N 3.08Å; S100-S104 PolarHBondContact O-OG 2.91Å; L101-S104 PolarHBondContact O-N 3.24Å
105	L	29.1	Very low	29	Very low	146 Å²	146	127.1 Å²	127.1	76%	0.764	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-0.6	178	-70.6	169.9	0	0	0	113.9	L101 S103	L101-L105 WeakPolarHBondContact O-CG 3.45Å; L101-L105 PolarHBondContact O-N 3.48Å; S103-L105 PolarHBondContact O-N 2.89Å; S103-L105 VanDerWaalsContact O-N 3.12Å
106	R	29	Very low	28.7	Very low	201 Å²	201	129.5 Å²	129.5	76%	0.758	69%	0.693	S	S	*	*	S	Bend	trans	-104.5	-11	-173.2	-167.8	158	-72.1	-144.2	-3.8	115.3	S103 K108	S103-R106 PolarHBondContact O-N 3.35Å; R106-K108 PolarHBondContact O-N 3.14Å
107	D	27.4	Very low	28.4	Very low	149 Å²	149	130.8 Å²	130.8	80%	0.797	70%	0.7	S	S	*	*	S	Bend	trans	-90.8	27.7	-174.2	-80.2	-16.5	0	0	0	115
108	K	26.1	Very low	28.1	Very low	189 Å²	189	133.2 Å²	133.2	82%	0.822	71%	0.708	S	S	*	*	S	Bend	trans	-140.6	144	175.7	-66.1	-173.8	-179.6	176.2	0	112.7	R106	R106-K108 PolarHBondContact O-N 3.14Å
109	S	29.2	Very low	27.6	Very low	106 Å²	106	136.7 Å²	136.7	74%	0.741	72%	0.719	S	S	*	*	S	Bend	trans	62.6	89.2	178.2	51.9	0	0	0	0	118.4
110	D	26.7	Very low	27.4	Very low	165 Å²	165	136 Å²	136	88%	0.882	73%	0.733	S	S	*	*				58.1	156.3	124.6	-59.2	-58.3	0	0	0	123.5
111	I	24.5	Very low	27.3	Very low	155 Å²	155	136.6 Å²	136.6	80%	0.795	74%	0.742	S	S	*	*			trans	-137.4	134.5	-156.6	-64.8	166.7	0	0	0	112.1
112	S	24.4	Very low	27.8	Very low	112 Å²	112	136.4 Å²	136.4	78%	0.783	75%	0.748	S	S	*	*			trans	175.5	142.8	140	-83.5	0	0	0	0	111.7
113	L	24	Very low	27.7	Very low	146 Å²	146	138.3 Å²	138.3	76%	0.764	76%	0.762	S	S	*	*			cis	-170.8	134.2	-22.6	-127.7	175.9	0	0	0	107.7
114	L	23	Very low	27.5	Very low	167 Å²	167	139.8 Å²	139.8	87%	0.874	77%	0.772	S	S	*	*			trans	179.3	152.2	152.6	-97.7	164.4	0	0	0	109
115	P	24.6	Very low	27.3	Very low	123 Å²	123	142 Å²	142	80%	0.799	78%	0.781	S	S	*	*			trans	-90.8	149.4	-157.5	34.3	-36.6	0	0	0	116.3
116	M	25.3	Very low	27.2	Very low	146 Å²	146	143.3 Å²	143.3	72%	0.719	78%	0.784	S	S	*	*			trans	-112.3	147.4	171.2	-108.4	-83.2	-77.9	0	0	110.3
117	N	27.5	Very low	26.9	Very low	132 Å²	132	137.6 Å²	137.6	71%	0.706	78%	0.775	S	S	*	*			trans	163.1	154	147.8	-88.8	-36	0	0	0	110.9
118	Q	26.3	Very low	26.8	Very low	170 Å²	170	136.8 Å²	136.8	79%	0.794	78%	0.775	S	S	*	*			cis	-148	161.7	12.4	-138.5	151.2	52.9	0	0	113
119	F	26.1	Very low	26.8	Very low	169 Å²	169	134.6 Å²	134.6	74%	0.741	78%	0.778	S	S	*	*			trans	-96.5	164.1	-177.5	-95.9	-108.3	0	0	0	114.1
120	T	27.7	Very low	26.7	Very low	151 Å²	151	132.6 Å²	132.6	93%	0.926	77%	0.774	S	S	*	*			trans	-160.1	159.4	135.2	3.6	0	0	0	0	110.5
121	A	27.6	Very low	26.8	Very low	85 Å²	85	129.5 Å²	129.5	70%	0.702	76%	0.756	S	S	*	*			trans	-139.3	-161.8	-154.3	0	0	0	0	0	114.4
122	P	39.4	Very low	27	Very low	118 Å²	118	128.6 Å²	128.6	77%	0.766	75%	0.753	S	S	*	*				-121.8	-158.9	-125.2	35.2	-11.9	0	0	0	113.8
123	P	31	Very low	27.2	Very low	115 Å²	115	130.3 Å²	130.3	75%	0.747	75%	0.754	S	S	*	*				-149.5	173.9	110.6	39.8	-24.6	0	0	0	118
124	S	28.8	Very low	27.6	Very low	101 Å²	101	129 Å²	129	71%	0.706	75%	0.746	S	S	*	*			trans	80	90.6	157.6	46.8	0	0	0	0	121.7
125	V	26.6	Very low	28	Very low	135 Å²	135	126.2 Å²	126.2	82%	0.818	73%	0.725	S	S	*	*				15.8	140.5	127.1	-92.4	0	0	0	0	119.3
126	Q	25.5	Very low	28.3	Very low	174 Å²	174	127.1 Å²	127.1	81%	0.813	72%	0.723	S	S	*	*			cis	-143.4	162.8	24.6	-88	-148.4	68	0	0	112
127	S	24	Very low	28.4	Very low	82 Å²	82	126.9 Å²	126.9	57%	0.573	72%	0.718	S	S	*	*			cis	-169.3	152.1	-23.4	52	0	0	0	0	109.2
128	T	23.8	Very low	28.5	Very low	132 Å²	132	123.7 Å²	123.7	81%	0.81	71%	0.706	S	S	*	*			trans	-156.1	141.3	-177.9	47.6	0	0	0	0	111.4
129	T	27.4	Very low	28.7	Very low	143 Å²	143	119.2 Å²	119.2	88%	0.877	69%	0.693	S	S	*	*			trans	-138.3	139.1	175.6	41	0	0	0	0	112
130	G	26.4	Very low	28.9	Very low	63 Å²	63	116.7 Å²	116.7	65%	0.649	69%	0.687	S	S	*	*			trans	86.6	30.8	157.3	0	0	0	0	0	119.8
131	I	28.3	Very low	29.1	Very low	101 Å²	101	112 Å²	112	52%	0.518	66%	0.656	S	S	.	*			trans	-95.7	-29.1	-179.4	-70.6	176.4	0	0	0	114.4	Y135	I131-Y135 HydrophobicContact CG2-CE2 3.89Å; I131-Y135 WeakPolarHBondContact O-CD2 3.47Å; I131-Y135 WeakPolarHBondContact O-CE2 3.35Å
132	N	29.7	Very low	29.3	Very low	136 Å²	136	111 Å²	111	73%	0.727	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-78.1	-29.3	-164.6	-70.2	-2.6	0	0	0	115.6	I134	N132-I134 VanDerWaalsContact C-N 3.3Å; N132-I134 PolarHBondContact O-N 2.93Å
133	D	29.3	Very low	28.8	Very low	148 Å²	148	112.4 Å²	112.4	79%	0.791	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-80.2	-8.8	-173.7	-59.9	-56.2	0	0	0	114.2
134	I	32.4	Very low	28.7	Very low	118 Å²	118	108.4 Å²	108.4	61%	0.605	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-78	-26	-179.3	-61.5	174.8	0	0	0	111.6	N132 N136 F137	N132-I134 VanDerWaalsContact C-N 3.3Å; N132-I134 PolarHBondContact O-N 2.93Å; I134-N136 VanDerWaalsContact C-N 3.32Å; I134-N136 PolarHBondContact O-N 3.37Å; I134-F137 PolarHBondContact O-N 3.09Å; I134-F137 VanDerWaalsContact O-N 3.15Å
135	Y	30	Very low	28.8	Very low	109 Å²	109	107.4 Å²	107.4	43%	0.427	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-66.3	-25.9	-167	-81.1	-83.3	0	0	0	115.2	I131 F137 S138	I131-Y135 HydrophobicContact CG2-CE2 3.89Å; I131-Y135 WeakPolarHBondContact O-CD2 3.47Å; I131-Y135 WeakPolarHBondContact O-CE2 3.35Å; Y135-F137 PolarHBondContact O-N 3.32Å; Y135-S138 WeakPolarHBondContact O-CB 3.35Å; Y135-S138 PolarHBondContact O-N 2.95Å; Y135-S138 PolarHBondContact O-OG 3.49Å
136	N	31.4	Very low	29.3	Very low	141 Å²	141	108 Å²	108	75%	0.754	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-69	-11.9	177	-78.3	-23	0	0	0	114.2	I134	I134-N136 VanDerWaalsContact C-N 3.32Å; I134-N136 PolarHBondContact O-N 3.37Å
137	F	28.1	Very low	29.6	Very low	142 Å²	142	107 Å²	107	62%	0.623	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-88.3	-14.7	169.6	-80.9	-89.4	0	0	0	113.7	I134 Y135 S139 L140 L141	I134-F137 PolarHBondContact O-N 3.09Å; I134-F137 VanDerWaalsContact O-N 3.15Å; Y135-F137 PolarHBondContact O-N 3.32Å; F137-S139 PolarHBondContact O-N 3.08Å; F137-L140 PolarHBondContact O-N 2.89Å; F137-L141 PolarHBondContact O-N 3.01Å
138	S	28.2	Very low	30	Very low	65 Å²	65	106.6 Å²	106.6	46%	0.455	59%	0.587	S	S	.	*	H	α-helix	trans	-67.3	-37.5	-173.9	68.7	0	0	0	0	113.6	Y135 L140 L141 S142	Y135-S138 WeakPolarHBondContact O-CB 3.35Å; Y135-S138 PolarHBondContact O-N 2.95Å; Y135-S138 PolarHBondContact O-OG 3.49Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 3.08Å; S138-L141 PolarHBondContact O-N 3.2Å; S138-S142 PolarHBondContact O-N 3.19Å
139	S	31.7	Very low	30.4	Very low	75 Å²	75	103.8 Å²	103.8	52%	0.524	57%	0.573	S	S	.	*	H	α-helix	trans	-69.4	-24	178.1	58	0	0	0	0	113.6	F137 S142	F137-S139 PolarHBondContact O-N 3.08Å; S139-S142 PolarHBondContact O-OG 3.15Å
140	L	30.5	Very low	30.6	Very low	116 Å²	116	102.9 Å²	102.9	61%	0.607	56%	0.558	S	S	*	*	H	α-helix	trans	-84.4	-29.3	176	-71.1	164.9	0	0	0	112.5	F137 S138 S144	F137-L140 PolarHBondContact O-N 2.89Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 3.08Å; L140-S144 WeakPolarHBondContact O-CB 3.47Å; L140-S144 PolarHBondContact O-OG 2.8Å
141	L	30.8	Very low	30.8	Very low	53 Å²	53	103.6 Å²	103.6	28%	0.277	55%	0.547	S	S	.	.	H	α-helix	trans	-78.4	-32.8	178.7	-99.7	65	0	0	0	113.5	F137 S138 N143 S144 W147 L148	F137-L141 PolarHBondContact O-N 3.01Å; S138-L141 PolarHBondContact O-N 3.2Å; L141-N143 VanDerWaalsContact C-N 3.26Å; L141-N143 PolarHBondContact O-N 3.45Å; L141-S144 WeakPolarHBondContact CA-OG 3.23Å; L141-S144 PolarHBondContact O-N 2.85Å; L141-S144 PolarHBondContact O-OG 3.03Å; L141-W147 HydrophobicContact CD1-CZ3 4.49Å; L141-L148 HydrophobicContact CD2-CD1 4.33Å; L141-L148 HydrophobicContact CD2-CD2 4.23Å; L141-L148 HydrophobicContact CG-CD1 4.34Å; L141-L148 HydrophobicContact CG-CD2 4.48Å
142	S	31.8	Very low	31.2	Very low	65 Å²	65	105 Å²	105	46%	0.455	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.4	-33.7	-178.2	63.6	0	0	0	0	113.6	S138 S139	S138-S142 PolarHBondContact O-N 3.19Å; S139-S142 PolarHBondContact O-OG 3.15Å
143	N	29.4	Very low	31.7	Very low	147 Å²	147	106.6 Å²	106.6	79%	0.786	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-6.4	-179	-77.1	-47.9	0	0	0	114.5	L141	L141-N143 VanDerWaalsContact C-N 3.26Å; L141-N143 PolarHBondContact O-N 3.45Å
144	S	29	Very low	31.7	Very low	31 Å²	31	104.8 Å²	104.8	22%	0.217	54%	0.544	C	S	.	.			trans	-118.2	42.6	-164.5	60.1	0	0	0	0	114.9	L140 L141 L146 W147	L140-S144 WeakPolarHBondContact O-CB 3.47Å; L140-S144 PolarHBondContact O-OG 2.8Å; L141-S144 WeakPolarHBondContact CA-OG 3.23Å; L141-S144 PolarHBondContact O-N 2.85Å; L141-S144 PolarHBondContact O-OG 3.03Å; S144-L146 PolarHBondContact O-N 3.1Å; S144-W147 WeakPolarHBondContact O-CB 3.19Å; S144-W147 PolarHBondContact O-N 2.8Å
145	T	30.7	Very low	31.6	Very low	79 Å²	79	104.1 Å²	104.1	49%	0.485	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-1.3	-178.7	54.3	0	0	0	0	116.6
146	L	36.3	Very low	31.5	Very low	147 Å²	147	106.3 Å²	106.3	77%	0.77	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-28.6	167.9	-76.8	164.9	0	0	0	113.1	S144 S149	S144-L146 PolarHBondContact O-N 3.1Å; L146-S149 PolarHBondContact O-N 3.12Å; L146-S149 PolarHBondContact O-OG 2.64Å
147	W	33.1	Very low	31.3	Very low	153 Å²	153	108.2 Å²	108.2	58%	0.58	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-41.1	-172.7	-162	64.1	0	0	0	112.2	L141 S144 S149 H150 L151	L141-W147 HydrophobicContact CD1-CZ3 4.49Å; S144-W147 WeakPolarHBondContact O-CB 3.19Å; S144-W147 PolarHBondContact O-N 2.8Å; W147-S149 PolarHBondContact O-N 3.27Å; W147-H150 WeakPolarHBondContact O-CA 3.31Å; W147-H150 VanDerWaalsContact O-CB 3.24Å; W147-H150 WeakPolarHBondContact O-CB 3.48Å; W147-H150 PolarHBondContact O-N 2.86Å; W147-L151 HydrophobicContact CD2-CD1 4.19Å; W147-L151 HydrophobicContact CE3-CD1 3.75Å; W147-L151 HydrophobicContact CH2-CD1 3.74Å; W147-L151 HydrophobicContact CZ2-CD1 4.19Å; W147-L151 HydrophobicContact CZ3-CD1 3.5Å; W147-L151 PolarHBondContact O-N 3.11Å
148	L	31.1	Very low	31.1	Very low	74 Å²	74	106.1 Å²	106.1	39%	0.387	58%	0.576	S	S	.	*	H	α-helix	trans	-61.7	-28.6	175.4	-70.5	168.9	0	0	0	113.4	L141 H150 L151 M152	L141-L148 HydrophobicContact CD2-CD1 4.33Å; L141-L148 HydrophobicContact CD2-CD2 4.23Å; L141-L148 HydrophobicContact CG-CD1 4.34Å; L141-L148 HydrophobicContact CG-CD2 4.48Å; L148-H150 PolarHBondContact O-N 2.71Å; L148-L151 PolarHBondContact O-N 3.45Å; L148-M152 WeakPolarHBondContact O-CB 3.37Å; L148-M152 WeakPolarHBondContact O-CG 3.32Å; L148-M152 PolarHBondContact O-N 3.29Å
149	S	32.4	Very low	31	Very low	73 Å²	73	110.8 Å²	110.8	51%	0.51	59%	0.592	S	S	.	*	H	α-helix	trans	-68.8	-14.1	173.1	82.1	0	0	0	0	113.9	L146 W147	L146-S149 PolarHBondContact O-N 3.12Å; L146-S149 PolarHBondContact O-OG 2.64Å; W147-S149 PolarHBondContact O-N 3.27Å
150	H	31.7	Very low	30.7	Very low	124 Å²	124	112.2 Å²	112.2	57%	0.574	60%	0.6	S	S	*	*	H	α-helix	trans	-100.8	-29.1	177.3	-139.5	-59.5	0	0	0	112.1	W147 L148	W147-H150 WeakPolarHBondContact O-CA 3.31Å; W147-H150 VanDerWaalsContact O-CB 3.24Å; W147-H150 WeakPolarHBondContact O-CB 3.48Å; W147-H150 PolarHBondContact O-N 2.86Å; L148-H150 PolarHBondContact O-N 2.71Å
151	L	31.9	Very low	30.7	Very low	79 Å²	79	112.4 Å²	112.4	41%	0.414	61%	0.608	S	S	.	*	H	α-helix	trans	-77	-39.7	177.7	-121.3	159.3	0	0	0	112.2	W147 L148 K153 N154	W147-L151 HydrophobicContact CD2-CD1 4.19Å; W147-L151 HydrophobicContact CE3-CD1 3.75Å; W147-L151 HydrophobicContact CH2-CD1 3.74Å; W147-L151 HydrophobicContact CZ2-CD1 4.19Å; W147-L151 HydrophobicContact CZ3-CD1 3.5Å; W147-L151 PolarHBondContact O-N 3.11Å; L148-L151 PolarHBondContact O-N 3.45Å; L151-K153 PolarHBondContact O-N 3.44Å; L151-N154 PolarHBondContact O-N 2.87Å
152	M	35.4	Very low	30.7	Very low	130 Å²	130	115.1 Å²	115.1	64%	0.64	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	6.8	170.9	-75.9	-80.9	-170.7	0	0	115.1	L148	L148-M152 WeakPolarHBondContact O-CB 3.37Å; L148-M152 WeakPolarHBondContact O-CG 3.32Å; L148-M152 PolarHBondContact O-N 3.29Å
153	K	40.1	Very low	30.4	Very low	169 Å²	169	118.9 Å²	118.9	74%	0.735	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-8.7	176	-71.3	-176.8	175.4	177.6	0	114.3	L151	L151-K153 PolarHBondContact O-N 3.44Å
154	N	29.2	Very low	30.2	Very low	111 Å²	111	119.2 Å²	119.2	59%	0.594	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	-1.1	-168.3	-74.6	12.9	0	0	0	113.7	L151 Q156	L151-N154 PolarHBondContact O-N 2.87Å; N154-Q156 VanDerWaalsContact C-N 3.33Å; N154-Q156 PolarHBondContact O-N 3.06Å
155	S	31.4	Very low	30	Very low	103 Å²	103	123.2 Å²	123.2	72%	0.72	68%	0.675	S	S	*	*			trans	-80.6	72.6	178.3	58.9	0	0	0	0	112.3	L157	S155-L157 PolarHBondContact O-N 2.87Å
156	Q	27.3	Very low	29.7	Very low	156 Å²	156	123.4 Å²	123.4	73%	0.729	68%	0.684	S	S	*	*			trans	-81.2	105.7	162.8	-75.3	-168.7	-2.5	0	0	110.1	N154 Y247	N154-Q156 VanDerWaalsContact C-N 3.33Å; N154-Q156 PolarHBondContact O-N 3.06Å; Q156-Y247 PolarHBondContact NE2-OH 3.42Å
157	L	27	Very low	29.1	Very low	180 Å²	180	123.6 Å²	123.6	94%	0.942	69%	0.685	S	S	*	*			trans	-126.4	126.5	154.9	-87.6	167.1	0	0	0	107	S155	S155-L157 PolarHBondContact O-N 2.87Å
158	S	24.2	Very low	28.7	Very low	99 Å²	99	127.7 Å²	127.7	69%	0.692	70%	0.7	S	S	*	*			trans	-103.2	146.3	-167.9	52	0	0	0	0	112
159	M	26	Very low	28.3	Very low	163 Å²	163	128.4 Å²	128.4	80%	0.803	71%	0.711	S	S	*	*			trans	-172.2	157.9	149.3	-101.3	-33.9	95.1	0	0	110.1
160	P	25.2	Very low	27.8	Very low	104 Å²	104	132 Å²	132	68%	0.675	73%	0.725	S	S	*	*				-105.5	168.1	-97.6	38.3	-40.2	0	0	0	115
161	P	30.6	Very low	27.6	Very low	120 Å²	120	132.2 Å²	132.2	78%	0.779	74%	0.735	S	S	*	*			trans	-87.8	134.1	175.7	34.1	-33.4	0	0	0	113.9
162	S	30	Very low	27.1	Very low	111 Å²	111	133.7 Å²	133.7	78%	0.776	75%	0.752	S	S	*	*			trans	-136.3	96.1	160.1	41.8	0	0	0	0	108.1
163	I	26.7	Very low	26.7	Very low	144 Å²	144	132.8 Å²	132.8	74%	0.738	76%	0.758	S	S	*	*				72.9	111.2	85.6	-66	164	0	0	0	112.4
164	N	24.1	Very low	25.9	Very low	154 Å²	154	131.2 Å²	131.2	82%	0.824	76%	0.758	S	S	*	*			trans	20.7	144.3	142.3	-50.1	-21.3	0	0	0	119.3
165	S	24.9	Very low	25.8	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	77%	0.769	S	S	*	*			cis	-159	173.9	33.8	56.8	0	0	0	0	112.9
166	A	25	Very low	25.6	Very low	83 Å²	83	133.1 Å²	133.1	69%	0.686	77%	0.765	S	S	*	*			trans	-90.9	176.4	166.5	0	0	0	0	0	111.5
167	I	23.6	Very low	25.6	Very low	151 Å²	151	132.7 Å²	132.7	77%	0.774	76%	0.762	S	S	*	*			trans	90.7	143.3	166.7	-54.7	163.9	0	0	0	115
168	W	25	Very low	25.5	Very low	238 Å²	238	133.7 Å²	133.7	90%	0.902	76%	0.76	S	S	*	*			trans	70.9	128.7	-170.7	-59.5	-5.3	0	0	0	114.9
169	S	22.9	Very low	25.6	Very low	89 Å²	89	133.3 Å²	133.3	62%	0.622	75%	0.753	S	S	*	*			cis	108.2	106.7	11.4	78.5	0	0	0	0	115.2
170	N	22.2	Very low	25.7	Very low	150 Å²	150	134.1 Å²	134.1	80%	0.802	76%	0.755	S	S	*	*			trans	67.1	161.6	166.2	-57.7	-19.2	0	0	0	117.2
171	T	26.2	Very low	25.9	Very low	128 Å²	128	136.6 Å²	136.6	79%	0.785	76%	0.757	S	S	*	*			trans	62.9	119.1	-179.8	58.4	0	0	0	0	114
172	S	23.1	Very low	25.8	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	75%	0.749	S	S	*	*			cis	53.4	106.7	44.6	85	0	0	0	0	111.9
173	S	26	Very low	25.8	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	75%	0.75	S	S	*	*				-158.5	176	71.2	56	0	0	0	0	114.4
174	D	24.1	Very low	25.8	Very low	137 Å²	137	136.4 Å²	136.4	73%	0.733	75%	0.751	S	S	*	*			trans	-62.3	171.4	-179.9	-45.2	-94.1	0	0	0	116
175	V	26.6	Very low	26.2	Very low	134 Å²	134	133.8 Å²	133.8	81%	0.812	75%	0.745	S	S	*	*			trans	138.4	134.9	141.4	165	0	0	0	0	110.5
176	N	26.3	Very low	26.4	Very low	119 Å²	119	134 Å²	134	64%	0.636	74%	0.737	S	S	*	*			cis	159.6	143.1	-31	-101.7	-26.2	0	0	0	106.3
177	H	27	Very low	26.4	Very low	148 Å²	148	140 Å²	140	69%	0.685	74%	0.742	S	S	*	*			trans	43.4	127.1	150.8	-76.2	-80.8	0	0	0	122.6	T179	H177-T179 HydrophobicContact CB-CG2 4.43Å
178	F	25	Very low	26.7	Very low	201 Å²	201	139.7 Å²	139.7	88%	0.882	74%	0.737	S	S	*	*				-130.4	110.3	114.5	-92.1	-98.8	0	0	0	105.6
179	T	28	Very low	26.7	Very low	90 Å²	90	132.5 Å²	132.5	55%	0.552	72%	0.723	S	S	*	*				68.7	148.6	76.4	63.4	0	0	0	0	112.3	H177	H177-T179 HydrophobicContact CB-CG2 4.43Å
180	E	27.9	Very low	26.9	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	73%	0.732	S	S	*	*			cis	-129.5	172.9	32.8	-70.3	161.1	163.4	0	0	111.4
181	E	27.8	Very low	27.1	Very low	157 Å²	157	132.5 Å²	132.5	73%	0.734	72%	0.723	S	S	*	*			cis	-164.5	152.1	3.8	-119.9	-102.9	166.3	0	0	105.2
182	T	29.2	Very low	27.1	Very low	97 Å²	97	135.2 Å²	135.2	60%	0.595	72%	0.724	S	S	*	*			cis	-150	-158.3	-25.9	42.2	0	0	0	0	105.9
183	T	29.8	Very low	27.3	Very low	131 Å²	131	136 Å²	136	80%	0.804	72%	0.72	S	S	*	*			cis	-152.9	170.8	7.8	-20.1	0	0	0	0	109.7
184	N	26.5	Very low	27.3	Very low	143 Å²	143	137.2 Å²	137.2	77%	0.765	72%	0.718	S	S	*	*			trans	-149	151.3	-173.9	-157.8	-1.3	0	0	0	113.2
185	S	32.4	Very low	27.4	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	72%	0.719	S	S	*	*			trans	165.1	150	152.3	44.3	0	0	0	0	112.9
186	N	29.8	Very low	27.3	Very low	120 Å²	120	141.9 Å²	141.9	64%	0.642	72%	0.721	S	S	*	*			cis	-167.9	169.6	-22.3	-101.8	-22.3	0	0	0	110.9
187	W	25.6	Very low	27.2	Very low	207 Å²	207	142.2 Å²	142.2	78%	0.784	73%	0.727	S	S	*	*			trans	99.7	122.9	145.6	-67.7	124.1	0	0	0	123.8
188	H	29.6	Very low	27.1	Very low	145 Å²	145	142 Å²	142	67%	0.671	74%	0.736	S	S	*	*			trans	87.3	94.1	137.6	-78.1	-50.9	0	0	0	124
189	S	24.9	Very low	27.1	Very low	88 Å²	88	140.5 Å²	140.5	62%	0.615	73%	0.73	S	S	*	*				79.8	107.7	106.1	-78	0	0	0	0	123.1
190	D	26.2	Very low	26.8	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	73%	0.734	S	S	*	*				96.9	112.6	118.8	-67.9	-50.8	0	0	0	123.7
191	S	27.2	Very low	26.5	Very low	90 Å²	90	142.7 Å²	142.7	63%	0.629	74%	0.736	S	S	*	*				91.7	89.3	126	-173.9	0	0	0	0	122
192	K	26.7	Very low	26.3	Very low	184 Å²	184	143.3 Å²	143.3	80%	0.8	74%	0.739	S	S	*	*				93.6	134.6	124.3	-72.7	176.4	-176.5	166.7	0	122.4
193	N	27.4	Very low	26	Very low	128 Å²	128	148.2 Å²	148.2	68%	0.684	75%	0.748	S	S	*	*			trans	83.8	90.6	143.3	-69.9	8.8	0	0	0	121.4
194	N	25.6	Very low	25.6	Very low	134 Å²	134	148.1 Å²	148.1	72%	0.717	74%	0.742	S	S	*	*				92	135.8	117.2	-66.9	-12.9	0	0	0	121.5
195	N	26	Very low	25.4	Very low	143 Å²	143	148.2 Å²	148.2	77%	0.765	74%	0.741	S	S	*	*			trans	80.3	92.4	149.6	-66.8	-23.6	0	0	0	120.5
196	R	24	Very low	25	Very low	227 Å²	227	150.1 Å²	150.1	86%	0.857	75%	0.749	S	S	*	*				102.5	124.4	112.3	-96.7	-168.3	165.8	180	-3	119.7
197	V	24	Very low	24.6	Very low	125 Å²	125	153.8 Å²	153.8	76%	0.758	76%	0.76	S	S	*	*			trans	65	97.2	147.4	-170	0	0	0	0	117.3
198	T	25.8	Very low	24.6	Very low	144 Å²	144	148.9 Å²	148.9	88%	0.883	76%	0.757	S	S	*	*			trans	-128.8	169.7	147.9	47.5	0	0	0	0	109.6
199	K	24.8	Very low	24.4	Very low	169 Å²	169	148.9 Å²	148.9	74%	0.735	76%	0.762	S	S	*	*			trans	-110.6	155.2	179.4	-81.1	-176.4	175.4	177.4	0	111.3
200	S	22.3	Very low	24.3	Very low	93 Å²	93	152.3 Å²	152.3	65%	0.65	77%	0.773	S	S	*	*			trans	74.2	128.9	134.7	63.8	0	0	0	0	122.3
201	Y	21.6	Very low	24.2	Very low	224 Å²	224	148.5 Å²	148.5	88%	0.878	77%	0.769	S	S	*	*			trans	87.7	141.7	152.2	-65.6	-61.3	0	0	0	120.4
202	E	22.9	Very low	24.1	Very low	169 Å²	169	154.4 Å²	154.4	79%	0.79	78%	0.784	S	S	*	*			trans	77.9	114.5	162.2	-75.8	-174.9	129.7	0	0	121.7
203	Y	22.3	Very low	24.1	Very low	201 Å²	201	154 Å²	154	79%	0.788	79%	0.785	S	S	*	*			trans	72.6	155.5	152.5	-77.4	-90.1	0	0	0	122.8
204	D	22.4	Very low	24.1	Very low	128 Å²	128	153 Å²	153	68%	0.684	79%	0.786	S	S	*	*			trans	67.5	96.7	162.2	-57.2	-17	0	0	0	123.2
205	I	21.5	Very low	24.1	Very low	146 Å²	146	153.9 Å²	153.9	75%	0.749	79%	0.789	S	S	*	*				33	111.9	121.1	-50.5	168	0	0	0	117.9
206	T	23.7	Very low	24.1	Very low	139 Å²	139	151.3 Å²	151.3	85%	0.853	78%	0.781	S	S	*	*				-172.3	171.7	125.1	17.8	0	0	0	0	111.8
207	F	23.2	Very low	24.3	Very low	197 Å²	197	147 Å²	147	86%	0.864	78%	0.776	S	S	*	*			trans	-96.1	141.1	-171.1	-75.3	-109.4	0	0	0	113.7
208	S	24.7	Very low	24.4	Very low	103 Å²	103	147.1 Å²	147.1	72%	0.72	76%	0.762	S	S	*	*				156.7	139	103.6	58.6	0	0	0	0	116
209	N	24.6	Very low	24.4	Very low	145 Å²	145	144.2 Å²	144.2	78%	0.775	75%	0.753	S	S	*	*			trans	56.8	138.5	147.1	-68	-9.8	0	0	0	125
210	N	23.7	Very low	24.5	Very low	161 Å²	161	145.1 Å²	145.1	86%	0.861	76%	0.757	S	S	*	*			trans	73	100.8	150.9	-61	-14.4	0	0	0	120.3
211	G	23.8	Very low	24.6	Very low	69 Å²	69	146.7 Å²	146.7	71%	0.711	76%	0.759	S	S	*	*			trans	163.6	110.1	155	0	0	0	0	0	116.8
212	F	25.7	Very low	24.8	Very low	213 Å²	213	141.4 Å²	141.4	93%	0.934	75%	0.752	S	S	*	*			trans	55.9	101	153.7	-69.7	-86.3	0	0	0	121.3
213	Q	25.9	Very low	24.9	Very low	176 Å²	176	140.2 Å²	140.2	82%	0.822	75%	0.749	S	S	*	*			trans	-60.6	177.4	138.8	-79.6	-158.9	9.6	0	0	112
214	P	27.4	Very low	25.1	Very low	108 Å²	108	138.7 Å²	138.7	70%	0.701	75%	0.751	S	S	*	*			cis	-126.3	-163.9	11.4	25.7	1.8	0	0	0	112.9
215	I	26.1	Very low	25.2	Very low	152 Å²	152	138.6 Å²	138.6	78%	0.779	75%	0.75	S	S	*	*			cis	-157.9	151.3	46.3	-73.9	174.2	0	0	0	113.2
216	S	26	Very low	25.3	Very low	88 Å²	88	138.7 Å²	138.7	62%	0.615	75%	0.752	S	S	*	*			trans	-51.1	157.9	-177.2	57	0	0	0	0	121.1
217	N	28.1	Very low	25.4	Very low	138 Å²	138	140.9 Å²	140.9	74%	0.738	75%	0.75	S	S	*	*				168.2	142.5	108.5	-90.3	-67.3	0	0	0	111.8
218	R	25.4	Very low	25.4	Very low	126 Å²	126	140.5 Å²	140.5	48%	0.475	75%	0.75	S	S	.	*			cis	-121	132.9	2.3	-75.3	173.3	164.3	166.4	-11.1	110.3	N673	R218-N673 PolarHBondContact NH2-OD1 3.33Å; R218-N673 VanDerWaalsContact NH2-OD1 3.17Å
219	A	25.8	Very low	25.4	Very low	84 Å²	84	140.4 Å²	140.4	69%	0.694	75%	0.75	S	S	*	*			trans	-109.6	152.6	151.2	0	0	0	0	0	107.9	N221	A219-N221 PolarHBondContact O-N 2.84Å
220	F	26.6	Very low	25.4	Very low	187 Å²	187	139.5 Å²	139.5	82%	0.82	75%	0.75	S	S	*	*			trans	-96.9	77	174.9	-101.2	-79.7	0	0	0	111.8
221	N	25.7	Very low	25.4	Very low	126 Å²	126	140 Å²	140	67%	0.674	75%	0.747	S	S	*	*			trans	15.7	110.6	157.7	-61	-8.5	0	0	0	119	A219	A219-N221 PolarHBondContact O-N 2.84Å
222	P	24.5	Very low	25.6	Very low	114 Å²	114	141.3 Å²	141.3	74%	0.74	75%	0.751	S	S	*	*	S	Bend	trans	-68.8	148.9	132.6	33.2	-33	0	0	0	110.8
223	I	25.2	Very low	25.5	Very low	143 Å²	143	138.1 Å²	138.1	73%	0.733	74%	0.744	S	S	*	*			trans	69.6	106.6	163	-55.7	163	0	0	0	117.8	I225	I223-I225 HydrophobicContact CG2-CG1 3.93Å
224	M	26.5	Very low	25.6	Very low	169 Å²	169	137.4 Å²	137.4	83%	0.833	74%	0.744	S	S	*	*			trans	-128.1	109.1	130.1	-67.2	-154.9	79.5	0	0	106.3
225	I	25.2	Very low	25.4	Very low	126 Å²	126	137.6 Å²	137.6	65%	0.646	75%	0.748	S	S	*	*				66.2	99.3	83.6	-62.1	173	0	0	0	112.7	I223	I223-I225 HydrophobicContact CG2-CG1 3.93Å
226	N	24.2	Very low	25.4	Very low	149 Å²	149	135.3 Å²	135.3	80%	0.797	74%	0.741	S	S	*	*			trans	21.5	118.3	148.8	-62.6	-12.9	0	0	0	119.8
227	K	26	Very low	25.4	Very low	185 Å²	185	139.1 Å²	139.1	80%	0.804	75%	0.75	S	S	*	*				-131.6	138.3	122.7	-114.2	174.5	-177.4	174.8	0	109.8
228	Q	22.5	Very low	25.3	Very low	189 Å²	189	141 Å²	141	88%	0.883	75%	0.753	S	S	*	*			trans	-83.8	139.7	-171.8	-60.6	153.1	-51.8	0	0	111.2
229	S	24.1	Very low	25.3	Very low	101 Å²	101	142 Å²	142	71%	0.706	77%	0.767	S	S	*	*			trans	-166.3	111.6	140.4	53.9	0	0	0	0	110.3
230	T	24.6	Very low	25.2	Very low	126 Å²	126	145.1 Å²	145.1	77%	0.773	77%	0.773	S	S	*	*			trans	42.2	144.6	138.4	57.7	0	0	0	0	121.6
231	Q	23.9	Very low	25.2	Very low	171 Å²	171	142.4 Å²	142.4	80%	0.799	77%	0.766	S	S	*	*			cis	177.3	110	-11.3	168.6	175.7	-2.1	0	0	105.4
232	A	27.4	Very low	25.3	Very low	97 Å²	97	139.9 Å²	139.9	80%	0.802	76%	0.758	S	S	*	*			trans	-174.2	116.9	165.3	0	0	0	0	0	110.5
233	D	23.8	Very low	25.4	Very low	146 Å²	146	142.2 Å²	142.2	78%	0.781	76%	0.759	S	S	*	*			trans	-59.3	150	178	-47.3	-74.1	0	0	0	114
234	L	28.7	Very low	25.8	Very low	160 Å²	160	141.9 Å²	141.9	84%	0.838	75%	0.754	S	S	*	*				-176.3	92	122.9	-99.7	166.4	0	0	0	110.9
235	S	22.7	Very low	26	Very low	112 Å²	112	136 Å²	136	78%	0.783	73%	0.73	S	S	*	*			trans	-75.6	130.2	171.4	51	0	0	0	0	111.7
236	V	26.8	Very low	26.4	Very low	104 Å²	104	135.2 Å²	135.2	63%	0.63	73%	0.726	S	S	*	*			trans	-137.7	92.1	157.3	-176.1	0	0	0	0	109.2
237	E	26.5	Very low	26.7	Very low	169 Å²	169	135 Å²	135	79%	0.79	72%	0.715	S	S	*	*			trans	48.4	121.1	137.2	-62	172.3	152.9	0	0	120.6	L239	E237-L239 PolarHBondContact O-N 3.44Å
238	H	24.5	Very low	26.9	Very low	176 Å²	176	132.8 Å²	132.8	82%	0.815	71%	0.712	S	S	*	*			trans	-65.6	114.3	154.4	-78.8	-123.6	0	0	0	109.8	N240	H238-N240 PolarHBondContact O-N 2.94Å
239	L	26.2	Very low	27.5	Very low	148 Å²	148	134.4 Å²	134.4	78%	0.775	71%	0.71	S	S	*	*			trans	-88.2	95.3	158.6	-82.1	170.5	0	0	0	109.4	E237 L241	E237-L239 PolarHBondContact O-N 3.44Å; L239-L241 PolarHBondContact O-N 2.72Å
240	N	24.5	Very low	27.8	Very low	150 Å²	150	136.1 Å²	136.1	80%	0.802	71%	0.708	S	S	*	*			trans	-66.7	94.7	164.3	-71.1	-17.5	0	0	0	108.6	H238	H238-N240 PolarHBondContact O-N 2.94Å
241	L	26	Very low	28.1	Very low	129 Å²	129	135.4 Å²	135.4	68%	0.675	70%	0.7	S	S	*	*			trans	-93.1	119.3	167.8	-75.4	167.5	0	0	0	108.4	L239	L239-L241 PolarHBondContact O-N 2.72Å
242	S	26.7	Very low	28.5	Very low	73 Å²	73	131.1 Å²	131.1	51%	0.51	69%	0.694	S	S	.	*			trans	-66.5	151.8	177.9	50.1	0	0	0	0	111.6	Q244 S245	S242-Q244 PolarHBondContact O-N 3.29Å; S242-S245 WeakPolarHBondContact O-CB 3.28Å; S242-S245 PolarHBondContact O-N 3.02Å; S242-S245 PolarHBondContact O-OG 2.74Å
243	E	28.4	Very low	28.6	Very low	163 Å²	163	136.8 Å²	136.8	76%	0.762	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-27.5	-174	-66.5	177.2	113.8	0	0	113.2	S245 I246	E243-S245 VanDerWaalsContact C-N 3.28Å; E243-S245 PolarHBondContact O-N 3.36Å; E243-I246 PolarHBondContact O-N 3.44Å
244	Q	32.5	Very low	29	Very low	136 Å²	136	137.9 Å²	137.9	64%	0.636	69%	0.694	S	S	*	*	H	α-helix	trans	-54	-41.3	170	-77.9	77.8	15.5	0	0	112.9	S242 I246 Y247	S242-Q244 PolarHBondContact O-N 3.29Å; Q244-I246 PolarHBondContact O-N 3.03Å; Q244-Y247 PolarHBondContact O-N 2.76Å
245	S	30.1	Very low	29	Very low	45 Å²	45	138 Å²	138	32%	0.315	69%	0.694	S	S	.	*	H	α-helix	trans	-67	-6.3	-172.6	68.9	0	0	0	0	115.1	S242 E243	S242-S245 WeakPolarHBondContact O-CB 3.28Å; S242-S245 PolarHBondContact O-N 3.02Å; S242-S245 PolarHBondContact O-OG 2.74Å; E243-S245 VanDerWaalsContact C-N 3.28Å; E243-S245 PolarHBondContact O-N 3.36Å
246	I	34	Very low	29.4	Very low	110 Å²	110	138.1 Å²	138.1	56%	0.564	69%	0.693	S	S	*	*	H	α-helix	trans	-93.4	-28.5	176.2	-62.1	177.3	0	0	0	111.3	E243 Q244	E243-I246 PolarHBondContact O-N 3.44Å; Q244-I246 PolarHBondContact O-N 3.03Å
247	Y	30.7	Very low	29.6	Very low	144 Å²	144	142.3 Å²	142.3	57%	0.565	70%	0.702	S	S	*	*	H	α-helix	trans	-74.6	-43.1	-179.2	-84.5	-89.6	0	0	0	112.7	Q156 Q244 R249 M250	Q156-Y247 PolarHBondContact NE2-OH 3.42Å; Q244-Y247 PolarHBondContact O-N 2.76Å; Y247-R249 PolarHBondContact O-N 2.78Å; Y247-M250 PolarHBondContact O-N 2.99Å
248	D	31	Very low	30	Very low	139 Å²	139	139.4 Å²	139.4	74%	0.743	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	0.7	-178.4	-60.2	-26.9	0	0	0	114.8
249	R	34.3	Very low	30.2	Very low	223 Å²	223	136.5 Å²	136.5	84%	0.842	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	6.9	-173.7	-136	171.7	-178.7	138.5	4.1	114.8	Y247	Y247-R249 PolarHBondContact O-N 2.78Å
250	M	30.2	Very low	30.3	Very low	137 Å²	137	135.3 Å²	135.3	68%	0.675	69%	0.692	S	S	*	*	S	Bend	trans	-104.3	-10.2	-178.9	-65.7	-173	64.9	0	0	114.8	Y247 A252	Y247-M250 PolarHBondContact O-N 2.99Å; M250-A252 PolarHBondContact O-N 3.19Å; M250-A252 VanDerWaalsContact O-N 3.12Å
251	D	31.2	Very low	30.7	Very low	112 Å²	112	134.4 Å²	134.4	60%	0.599	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-7.3	179.6	-102.9	-54.8	0	0	0	115.3	Y253 K254	D251-Y253 VanDerWaalsContact C-N 3.29Å; D251-Y253 PolarHBondContact O-N 3.45Å; D251-K254 WeakPolarHBondContact OD1-CE 3.43Å; D251-K254 IonicContact OD1-NZ 2.71Å; D251-K254 PolarHBondContact OD1-NZ 3.07Å
252	A	32.6	Very low	31.1	Very low	81 Å²	81	130.7 Å²	130.7	67%	0.669	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-1.1	-171.5	0	0	0	0	0	115.9	M250	M250-A252 PolarHBondContact O-N 3.19Å; M250-A252 VanDerWaalsContact O-N 3.12Å
253	Y	28.3	Very low	31.5	Very low	216 Å²	216	135.1 Å²	135.1	85%	0.847	69%	0.69	S	S	*	*			trans	-136.7	61.4	-177.1	-71.2	-79.7	0	0	0	113	D251 L255	D251-Y253 VanDerWaalsContact C-N 3.29Å; D251-Y253 PolarHBondContact O-N 3.45Å; Y253-L255 PolarHBondContact O-N 2.72Å
254	K	32.8	Very low	32	Very low	169 Å²	169	134.9 Å²	134.9	74%	0.735	69%	0.689	S	S	*	*			trans	-78.3	103.4	165.2	-78.4	173.5	-180	142.3	0	110.1	D251	D251-K254 WeakPolarHBondContact OD1-CE 3.43Å; D251-K254 IonicContact OD1-NZ 2.71Å; D251-K254 PolarHBondContact OD1-NZ 3.07Å
255	L	29.5	Very low	32.3	Very low	161 Å²	161	133.9 Å²	133.9	84%	0.843	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-71	150.5	163.3	-77.3	165.1	0	0	0	110	Y253	Y253-L255 PolarHBondContact O-N 2.72Å
256	P	30.6	Very low	32.4	Very low	116 Å²	116	137.1 Å²	137.1	75%	0.753	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-66	155.5	-177.1	-19.8	33	0	0	0	113.2
257	K	31.5	Very low	32.7	Very low	192 Å²	192	135.1 Å²	135.1	84%	0.835	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-73.6	146.2	159.1	-69.5	-176.1	176.9	-177.2	0	108.9	D259	K257-D259 PolarHBondContact O-N 3.49Å
258	P	34.1	Very low	33.2	Very low	107 Å²	107	133.5 Å²	133.5	70%	0.695	70%	0.699	S	S	*	*			trans	-78.2	113.1	177.7	30.3	-32.4	0	0	0	110.8
259	D	28.4	Very low	33.5	Very low	116 Å²	116	128.6 Å²	128.6	62%	0.62	68%	0.681	S	S	*	*			trans	-74.3	160.8	160.2	-70.4	-41.8	0	0	0	110.4	K257 T261	K257-D259 PolarHBondContact O-N 3.49Å; D259-T261 PolarHBondContact O-N 3.48Å
260	S	28.8	Very low	34	Very low	122 Å²	122	122.1 Å²	122.1	85%	0.853	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	77.7	-168.6	58.1	0	0	0	0	113.8
261	T	33.5	Very low	34.5	Very low	132 Å²	132	119.9 Å²	119.9	81%	0.81	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-161.6	0.3	167.4	2.7	0	0	0	0	114.3	D259 E263	D259-T261 PolarHBondContact O-N 3.48Å; T261-E263 PolarHBondContact O-N 2.79Å
262	S	34.8	Very low	35.2	Very low	51 Å²	51	119.9 Å²	119.9	36%	0.357	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.9	5.3	-156.7	59.2	0	0	0	0	117.8	Q264 V265 L266	S262-Q264 VanDerWaalsContact C-N 3.35Å; S262-Q264 PolarHBondContact O-N 2.76Å; S262-V265 PolarHBondContact O-N 3.15Å; S262-L266 PolarHBondContact O-N 2.73Å; S262-L266 VanDerWaalsContact O-N 3.1Å
263	E	33.9	Very low	35.6	Very low	165 Å²	165	120.6 Å²	120.6	77%	0.771	64%	0.641	S	S	*	*	H	α-helix	trans	-67.2	-31.6	-169.1	-161.9	163.2	-139.5	0	0	113.6	T261 T267	T261-E263 PolarHBondContact O-N 2.79Å; E263-T267 PolarHBondContact O-N 3.45Å; E263-T267 PolarHBondContact O-OG1 3.24Å
264	Q	38.8	Very low	36.4	Very low	159 Å²	159	113 Å²	113	74%	0.743	62%	0.617	S	S	*	*	H	α-helix	trans	-75.2	-38	175.5	-69.9	179.4	-18.8	0	0	112.6	S262 T267 D268	S262-Q264 VanDerWaalsContact C-N 3.35Å; S262-Q264 PolarHBondContact O-N 2.76Å; Q264-T267 WeakPolarHBondContact CA-OG1 3.33Å; Q264-T267 PolarHBondContact O-N 3.39Å; Q264-T267 PolarHBondContact O-OG1 3.01Å; Q264-D268 PolarHBondContact O-N 3.33Å; Q264-D268 VanDerWaalsContact O-N 3.08Å
265	V	39.1	Very low	36.9	Very low	114 Å²	114	107.8 Å²	107.8	69%	0.691	60%	0.602	S	S	*	*	H	α-helix	trans	-70.5	-35.6	179.2	-176.3	0	0	0	0	111.4	S262 G269	S262-V265 PolarHBondContact O-N 3.15Å; V265-G269 PolarHBondContact O-N 3.44Å
266	L	33.1	Very low	37.8	Very low	114 Å²	114	105.3 Å²	105.3	60%	0.597	59%	0.585	S	S	*	*	H	α-helix	trans	-68	-39.1	176.3	-143.8	83	0	0	0	111.7	S262 I270	S262-L266 PolarHBondContact O-N 2.73Å; S262-L266 VanDerWaalsContact O-N 3.1Å; L266-I270 HydrophobicContact CD2-CD1 4.39Å; L266-I270 HydrophobicContact CG-CD1 4.38Å; L266-I270 WeakPolarHBondContact O-CB 3.48Å; L266-I270 WeakPolarHBondContact O-CD1 3.5Å; L266-I270 VanDerWaalsContact O-CG1 3.24Å; L266-I270 WeakPolarHBondContact O-CG1 3.47Å; L266-I270 PolarHBondContact O-N 2.75Å
267	T	38.7	Very low	38.5	Very low	67 Å²	67	106.1 Å²	106.1	41%	0.411	58%	0.577	S	S	.	*	H	α-helix	trans	-70.4	-37.7	178.9	41.1	0	0	0	0	112.5	E263 Q264 I270 N271	E263-T267 PolarHBondContact O-N 3.45Å; E263-T267 PolarHBondContact O-OG1 3.24Å; Q264-T267 WeakPolarHBondContact CA-OG1 3.33Å; Q264-T267 PolarHBondContact O-N 3.39Å; Q264-T267 PolarHBondContact O-OG1 3.01Å; T267-I270 PolarHBondContact O-N 2.74Å; T267-N271 WeakPolarHBondContact O-CB 3.5Å; T267-N271 PolarHBondContact O-N 3.27Å; T267-N271 PolarHBondContact O-ND2 3.12Å; T267-N271 VanDerWaalsContact O-ND2 3.09Å
268	D	41.8	Very low	38.9	Very low	111 Å²	111	103.8 Å²	103.8	59%	0.594	56%	0.563	S	S	*	*	H	α-helix	trans	-64.2	-43.3	172.2	-78.9	-21.6	0	0	0	112.8	Q264 I270 N271 E272	Q264-D268 PolarHBondContact O-N 3.33Å; Q264-D268 VanDerWaalsContact O-N 3.08Å; D268-I270 VanDerWaalsContact C-N 3.34Å; D268-I270 PolarHBondContact O-N 3.23Å; D268-N271 PolarHBondContact O-N 2.79Å; D268-E272 PolarHBondContact O-N 3.37Å
269	G	38.4	Very low	39.3	Very low	35 Å²	35	103.2 Å²	103.2	36%	0.361	55%	0.554	S	S	.	*	H	α-helix	trans	-62.6	-38.9	174.5	0	0	0	0	0	113.1	V265 L273	V265-G269 PolarHBondContact O-N 3.44Å; G269-L273 WeakPolarHBondContact O-CB 3.12Å; G269-L273 PolarHBondContact O-N 3.33Å; G269-L273 VanDerWaalsContact O-N 3.12Å
270	I	43.9	Very low	40.2	Very low	87 Å²	87	101.8 Å²	101.8	45%	0.446	55%	0.545	S	S	.	.	H	α-helix	trans	-66	-42.6	172.5	-73	163	0	0	0	110.6	L266 T267 D268 E272 L273 T274	L266-I270 HydrophobicContact CD2-CD1 4.39Å; L266-I270 HydrophobicContact CG-CD1 4.38Å; L266-I270 WeakPolarHBondContact O-CB 3.48Å; L266-I270 WeakPolarHBondContact O-CD1 3.5Å; L266-I270 VanDerWaalsContact O-CG1 3.24Å; L266-I270 WeakPolarHBondContact O-CG1 3.47Å; L266-I270 PolarHBondContact O-N 2.75Å; T267-I270 PolarHBondContact O-N 2.74Å; D268-I270 VanDerWaalsContact C-N 3.34Å; D268-I270 PolarHBondContact O-N 3.23Å; I270-E272 PolarHBondContact O-N 2.95Å; I270-L273 PolarHBondContact O-N 2.65Å; I270-T274 VanDerWaalsContact O-CB 3.3Å; I270-T274 WeakPolarHBondContact O-CB 3.07Å; I270-T274 PolarHBondContact O-N 3.14Å; I270-T274 PolarHBondContact O-OG1 3.33Å
271	N	40.3	Very low	40.7	Very low	91 Å²	91	105.1 Å²	105.1	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-63.2	-40.9	178.2	-76.9	-35.4	0	0	0	112.2	T267 D268 T274 S275	T267-N271 WeakPolarHBondContact O-CB 3.5Å; T267-N271 PolarHBondContact O-N 3.27Å; T267-N271 PolarHBondContact O-ND2 3.12Å; T267-N271 VanDerWaalsContact O-ND2 3.09Å; D268-N271 PolarHBondContact O-N 2.79Å; N271-T274 PolarHBondContact O-N 2.93Å; N271-S275 WeakPolarHBondContact O-CB 3.46Å; N271-S275 PolarHBondContact O-N 2.88Å
272	E	46.3	Very low	40.9	Very low	112 Å²	112	108.1 Å²	108.1	52%	0.523	54%	0.541	S	S	.	.	H	α-helix	trans	-66.2	-41.8	176.2	-155	-150.5	-177.8	0	0	111.7	D268 I270 S275 K276	D268-E272 PolarHBondContact O-N 3.37Å; I270-E272 PolarHBondContact O-N 2.95Å; E272-S275 WeakPolarHBondContact O-CB 3.4Å; E272-S275 PolarHBondContact O-N 3.43Å; E272-K276 WeakPolarHBondContact O-CG 3.27Å; E272-K276 PolarHBondContact O-N 2.87Å; E272-K276 VanDerWaalsContact OE1-CE 3.24Å; E272-K276 WeakPolarHBondContact OE1-CE 3.47Å; E272-K276 IonicContact OE1-NZ 3.73Å; E272-K276 PolarHBondContact OE1-NZ 2.83Å; E272-K276 IonicContact OE2-NZ 2.65Å; E272-K276 PolarHBondContact OE2-NZ 2.85Å
273	L	41.3	Very low	41.2	Very low	95 Å²	95	110.5 Å²	110.5	50%	0.497	55%	0.553	S	S	.	*	H	α-helix	trans	-60.9	-48.7	171.4	-88.2	161.9	0	0	0	111.7	G269 I270 S275 K276 F277	G269-L273 WeakPolarHBondContact O-CB 3.12Å; G269-L273 PolarHBondContact O-N 3.33Å; G269-L273 VanDerWaalsContact O-N 3.12Å; I270-L273 PolarHBondContact O-N 2.65Å; L273-S275 VanDerWaalsContact C-N 3.26Å; L273-S275 PolarHBondContact O-N 3.38Å; L273-K276 PolarHBondContact O-N 3.13Å; L273-F277 HydrophobicContact CD2-CE2 4.12Å; L273-F277 WeakPolarHBondContact O-CD2 3.03Å; L273-F277 PolarHBondContact O-N 3.38Å
274	T	45	Very low	41.1	Very low	56 Å²	56	106.7 Å²	106.7	34%	0.344	56%	0.558	S	S	.	*	H	α-helix	trans	-64.3	-31.6	179.4	-62.8	0	0	0	0	111.8	I270 N271 R278	I270-T274 VanDerWaalsContact O-CB 3.3Å; I270-T274 WeakPolarHBondContact O-CB 3.07Å; I270-T274 PolarHBondContact O-N 3.14Å; I270-T274 PolarHBondContact O-OG1 3.33Å; N271-T274 PolarHBondContact O-N 2.93Å; T274-R278 WeakPolarHBondContact O-CB 3.48Å; T274-R278 PolarHBondContact O-N 3.5Å
275	S	43.1	Very low	41.3	Very low	60 Å²	60	106.6 Å²	106.6	42%	0.42	56%	0.557	S	S	.	*	H	α-helix	trans	-65.1	-52	170.6	-166	0	0	0	0	111.2	N271 E272 L273 F277 R278 D279	N271-S275 WeakPolarHBondContact O-CB 3.46Å; N271-S275 PolarHBondContact O-N 2.88Å; E272-S275 WeakPolarHBondContact O-CB 3.4Å; E272-S275 PolarHBondContact O-N 3.43Å; L273-S275 VanDerWaalsContact C-N 3.26Å; L273-S275 PolarHBondContact O-N 3.38Å; S275-F277 VanDerWaalsContact C-N 3.25Å; S275-F277 PolarHBondContact O-N 3.49Å; S275-R278 WeakPolarHBondContact O-CA 3.38Å; S275-R278 WeakPolarHBondContact O-CB 3.29Å; S275-R278 PolarHBondContact O-N 3.28Å; S275-D279 PolarHBondContact O-N 3.39Å; S275-D279 VanDerWaalsContact O-N 3.08Å
276	K	47.6	Very low	41.9	Very low	109 Å²	109	107.6 Å²	107.6	47%	0.474	56%	0.558	S	S	.	*	H	α-helix	trans	-59.8	-32.5	176.2	-69	165.5	-175.3	169.8	0	112.6	E272 L273 I280	E272-K276 WeakPolarHBondContact O-CG 3.27Å; E272-K276 PolarHBondContact O-N 2.87Å; E272-K276 VanDerWaalsContact OE1-CE 3.24Å; E272-K276 WeakPolarHBondContact OE1-CE 3.47Å; E272-K276 IonicContact OE1-NZ 3.73Å; E272-K276 PolarHBondContact OE1-NZ 2.83Å; E272-K276 IonicContact OE2-NZ 2.65Å; E272-K276 PolarHBondContact OE2-NZ 2.85Å; L273-K276 PolarHBondContact O-N 3.13Å; K276-I280 WeakPolarHBondContact O-CG1 3.39Å
277	F	46.4	Very low	42.9	Very low	134 Å²	134	104.6 Å²	104.6	59%	0.588	56%	0.555	S	S	*	*	H	α-helix	trans	-74.7	-24.9	170.4	-77.6	-61.5	0	0	0	113.9	L273 S275 I280	L273-F277 HydrophobicContact CD2-CE2 4.12Å; L273-F277 WeakPolarHBondContact O-CD2 3.03Å; L273-F277 PolarHBondContact O-N 3.38Å; S275-F277 VanDerWaalsContact C-N 3.25Å; S275-F277 PolarHBondContact O-N 3.49Å; F277-I280 HydrophobicContact CD1-CD1 4.16Å
278	R	39.9	Very low	45	Very low	143 Å²	143	105.7 Å²	105.7	54%	0.54	56%	0.558	S	S	.	*	H	α-helix	trans	-73	-38.8	176	-138.7	171.6	-73.9	-176.2	-5.2	111.5	T274 S275 I280 K281	T274-R278 WeakPolarHBondContact O-CB 3.48Å; T274-R278 PolarHBondContact O-N 3.5Å; S275-R278 WeakPolarHBondContact O-CA 3.38Å; S275-R278 WeakPolarHBondContact O-CB 3.29Å; S275-R278 PolarHBondContact O-N 3.28Å; R278-I280 VanDerWaalsContact C-N 3.31Å; R278-I280 PolarHBondContact O-N 3.04Å; R278-K281 PolarHBondContact O-N 3.23Å; R278-K281 VanDerWaalsContact O-N 3.14Å
279	D	41.8	Very low	47.5	Very low	94 Å²	94	104.7 Å²	104.7	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-67.3	-31.6	178.3	-66.5	-31.4	0	0	0	112.8	S275 K281 R282	S275-D279 PolarHBondContact O-N 3.39Å; S275-D279 VanDerWaalsContact O-N 3.08Å; D279-K281 PolarHBondContact O-N 2.87Å; D279-K281 VanDerWaalsContact O-N 3.14Å; D279-R282 PolarHBondContact O-N 3.07Å; D279-R282 VanDerWaalsContact O-N 3.12Å
280	I	47.2	Very low	50.3	Low	87 Å²	87	103.1 Å²	103.1	45%	0.446	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.3	172.8	-72.2	171	0	0	0	112.3	K276 F277 R278 Y289	K276-I280 WeakPolarHBondContact O-CG1 3.39Å; F277-I280 HydrophobicContact CD1-CD1 4.16Å; R278-I280 VanDerWaalsContact C-N 3.31Å; R278-I280 PolarHBondContact O-N 3.04Å; I280-Y289 HydrophobicContact CG2-CE2 4.03Å
281	K	39.7	Very low	52.8	Low	191 Å²	191	102.8 Å²	102.8	83%	0.83	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	0.3	178.4	-75.4	-170.5	172.2	-175.2	0	115.2	R278 D279	R278-K281 PolarHBondContact O-N 3.23Å; R278-K281 VanDerWaalsContact O-N 3.14Å; D279-K281 PolarHBondContact O-N 2.87Å; D279-K281 VanDerWaalsContact O-N 3.14Å
282	R	37.1	Very low	55.5	Low	195 Å²	195	98.4 Å²	98.4	74%	0.736	51%	0.505	S	S	*	.	S	Bend	trans	-117.9	12.1	-163.8	-73.7	-174	170.1	-174.6	-3	117.9	D279	D279-R282 PolarHBondContact O-N 3.07Å; D279-R282 VanDerWaalsContact O-N 3.12Å
283	V	41.1	Very low	57.9	Low	102 Å²	102	93.3 Å²	93.3	62%	0.618	48%	0.481	S	S	*	.			trans	-120.7	108.9	-178.8	-172.7	0	0	0	0	113.2	H285	V283-H285 PolarHBondContact O-N 3.15Å; V283-H285 VanDerWaalsContact O-N 3.13Å
284	G	33.8	Very low	60.5	Low	84 Å²	84	91 Å²	91	87%	0.866	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	84.2	-176.6	0	0	0	0	0	115.2
285	H	42.2	Very low	63	Low	158 Å²	158	89.5 Å²	89.5	73%	0.731	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.5	72	141.6	-156.6	-71.8	0	0	0	110.9	V283	V283-H285 PolarHBondContact O-N 3.15Å; V283-H285 VanDerWaalsContact O-N 3.13Å
286	N	50.5	Low	65.4	Low	134 Å²	134	91.3 Å²	91.3	72%	0.717	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	33	176.9	-57.6	0.7	0	0	0	116.4	L288	N286-L288 WeakPolarHBondContact O-CB 3.44Å; N286-L288 WeakPolarHBondContact O-CG 3.14Å; N286-L288 PolarHBondContact O-N 2.8Å
287	G	55.8	Low	67.6	Low	51 Å²	51	86.9 Å²	86.9	53%	0.526	46%	0.458	S	S	.	.			trans	52.5	2.1	149.6	0	0	0	0	0	121.5	Y289	G287-Y289 WeakPolarHBondContact O-CE2 3.43Å
288	L	82	Confident	69.8	Low	90 Å²	90	82.9 Å²	82.9	47%	0.471	45%	0.446	S	S	.	.			trans	-104.5	137.7	-166.5	-68.5	166.9	0	0	0	111.4	N286 S297 L305	N286-L288 WeakPolarHBondContact O-CB 3.44Å; N286-L288 WeakPolarHBondContact O-CG 3.14Å; N286-L288 PolarHBondContact O-N 2.8Å; L288-S297 WeakPolarHBondContact O-CA 3.09Å; L288-S297 WeakPolarHBondContact O-CB 3.48Å; L288-S297 PolarHBondContact O-N 2.9Å; L288-L305 HydrophobicContact CB-CD1 4.38Å; L288-L305 HydrophobicContact CB-CD2 4.47Å; L288-L305 HydrophobicContact CD1-CD1 4.46Å; L288-L305 HydrophobicContact CD1-CD2 3.98Å; L288-L305 HydrophobicContact CD2-CD1 3.87Å; L288-L305 HydrophobicContact CG-CD1 4.46Å
289	Y	94.1	Very high	72.2	Confident	91 Å²	91	77.5 Å²	77.5	36%	0.357	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-107.6	150.6	-177.4	-62.2	-90.5	0	0	0	112	I280 G287 I291 G294	I280-Y289 HydrophobicContact CG2-CE2 4.03Å; G287-Y289 WeakPolarHBondContact O-CE2 3.43Å; Y289-I291 PolarHBondContact O-N 3.11Å; Y289-G294 WeakPolarHBondContact CD1-O 3.45Å
290	C	97.4	Very high	74.7	Confident	1 Å²	1	80.9 Å²	80.9	1%	0.007	45%	0.446	C	S	.	.			trans	-72.4	108.7	176.8	176.5	0	0	0	0	110.6	V292 C293 G294 D295 A306 C307	C290-V292 PolarHBondContact O-N 2.93Å; C290-C293 PolarHBondContact O-N 3.09Å; C290-G294 PolarHBondContact O-N 3.33Å; C290-D295 WeakPolarHBondContact CB-O 3.19Å; C290-D295 PolarHBondContact N-O 3.11Å; C290-A306 VanDerWaalsContact SG-CA 3.59Å; C290-C307 HydrophobicContact CB-CB 3.91Å; C290-C307 PolarHBondContact SG-N 3.21Å; C290-C307 VanDerWaalsContact SG-N 3.44Å; C290-C307 VanDerWaalsContact SG-SG 3.67Å
291	I	95.8	Very high	77	Confident	80 Å²	80	79 Å²	79	41%	0.41	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.7	-178.2	66.3	172.4	0	0	0	114	Y289 I304 L305 M354	Y289-I291 PolarHBondContact O-N 3.11Å; I291-I304 HydrophobicContact CD1-CB 4.02Å; I291-I304 HydrophobicContact CD1-CD1 3.98Å; I291-I304 HydrophobicContact CD1-CG2 4.38Å; I291-I304 HydrophobicContact CG1-CB 4.5Å; I291-I304 HydrophobicContact CG1-CD1 3.86Å; I291-L305 PolarHBondContact N-O 3.32Å; I291-M354 HydrophobicContact CD1-CB 3.98Å; I291-M354 HydrophobicContact CG1-CB 4.08Å; I291-M354 HydrophobicContact CG1-CG 4.46Å
292	V	97.3	Very high	79.7	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-34.6	171.6	-173.8	0	0	0	0	112.7	C290 I304 C310 I335 K350 M354 M356	C290-V292 PolarHBondContact O-N 2.93Å; V292-I304 HydrophobicContact CG2-CD1 3.79Å; V292-C310 HydrophobicContact CB-CB 4.35Å; V292-C310 HydrophobicContact CG1-CB 4.47Å; V292-I335 HydrophobicContact CG1-CG2 4.34Å; V292-I335 WeakPolarHBondContact O-CG2 3.27Å; V292-K350 HydrophobicContact CG1-CB 4.38Å; V292-K350 HydrophobicContact CG1-CD 4.47Å; V292-K350 HydrophobicContact CG1-CG 4.28Å; V292-K350 WeakPolarHBondContact O-CD 3.36Å; V292-K350 WeakPolarHBondContact O-CE 3.11Å; V292-K350 PolarHBondContact O-NZ 3.44Å; V292-M354 HydrophobicContact CG2-CB 4.28Å; V292-M354 HydrophobicContact CG2-CG 4.5Å; V292-M356 HydrophobicContact CG2-CE 4.22Å
293	C	97.7	Very high	82.4	Confident	4 Å²	4	64.9 Å²	64.9	3%	0.027	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-149.8	5.9	-168.9	69.6	0	0	0	0	117.3	C290 D295 C310 I335 D336 K337 R340	C290-C293 PolarHBondContact O-N 3.09Å; C293-D295 PolarHBondContact O-N 3.12Å; C293-D295 VanDerWaalsContact O-N 3.07Å; C293-C310 PolarHBondContact SG-SG 3.26Å; C293-I335 HydrophobicContact CB-CG2 4.26Å; C293-D336 CarbonylContact O-C 3.57Å; C293-D336 WeakPolarHBondContact O-CA 3.46Å; C293-K337 PolarHBondContact O-N 3.31Å; C293-R340 HydrophobicContact CB-CB 4.29Å; C293-R340 PolarHBondContact SG-NH1 3.12Å
294	G	96	Very high	85	Confident	48 Å²	48	60.9 Å²	60.9	50%	0.495	37%	0.365	S	S	.	.	S	Bend	trans	71.7	-6.2	179	0	0	0	0	0	116	Y289 C290	Y289-G294 WeakPolarHBondContact CD1-O 3.45Å; C290-G294 PolarHBondContact O-N 3.33Å
295	D	96.2	Very high	87.9	Confident	23 Å²	23	59.5 Å²	59.5	12%	0.123	34%	0.337	C	S	.	.	S	Bend	trans	-71.7	157.8	172.5	-165.4	20	0	0	0	111.9	C290 C293 S297 C307 K337 R340	C290-D295 WeakPolarHBondContact CB-O 3.19Å; C290-D295 PolarHBondContact N-O 3.11Å; C293-D295 PolarHBondContact O-N 3.12Å; C293-D295 VanDerWaalsContact O-N 3.07Å; D295-S297 PolarHBondContact O-N 3.25Å; D295-C307 HydrophobicContact CB-CB 4.07Å; D295-K337 HydrophobicContact CB-CB 4.23Å; D295-K337 HydrophobicContact CB-CD 4.13Å; D295-K337 HydrophobicContact CB-CG 3.99Å; D295-K337 WeakPolarHBondContact OD1-CD 3.33Å; D295-K337 WeakPolarHBondContact OD1-CE 3.29Å; D295-K337 IonicContact OD1-NZ 2.73Å; D295-K337 PolarHBondContact OD1-NZ 2.97Å; D295-R340 VanDerWaalsContact CB-NH1 3.35Å; D295-R340 IonicContact OD2-CZ 2.72Å; D295-R340 IonicContact OD2-NH1 2.76Å; D295-R340 PolarHBondContact OD2-NH1 2.78Å; D295-R340 IonicContact OD2-NH2 3.16Å; D295-R340 PolarHBondContact OD2-NH2 3.46Å
296	I	93.7	Very high	90.5	Very high	98 Å²	98	52 Å²	52	50%	0.503	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-58	129.1	-173.9	-58.4	174.8	0	0	0	110.5	C307	I296-C307 WeakPolarHBondContact O-CA 3.21Å; I296-C307 WeakPolarHBondContact O-CB 3.35Å
297	S	94.1	Very high	92.7	Very high	17 Å²	17	45.6 Å²	45.6	12%	0.119	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-74.5	135.5	-179	-168.3	0	0	0	0	111.1	L288 D295 G299 A306	L288-S297 WeakPolarHBondContact O-CA 3.09Å; L288-S297 WeakPolarHBondContact O-CB 3.48Å; L288-S297 PolarHBondContact O-N 2.9Å; D295-S297 PolarHBondContact O-N 3.25Å; S297-G299 VanDerWaalsContact C-N 3.28Å; S297-G299 PolarHBondContact OG-N 3.48Å; S297-G299 PolarHBondContact OG-O 3.41Å; S297-A306 PolarHBondContact OG-N 3.42Å; S297-A306 VanDerWaalsContact OG-N 3.14Å; S297-A306 PolarHBondContact OG-O 3.18Å
298	S	91.8	Very high	94.7	Very high	49 Å²	49	48.8 Å²	48.8	34%	0.343	27%	0.274	S	S	.	.			trans	-97.9	31.3	169.9	53.7	0	0	0	0	111.6	H301 A306 N308	S298-H301 PolarHBondContact O-NE2 3.31Å; S298-H301 PolarHBondContact OG-NE2 3.27Å; S298-H301 VanDerWaalsContact OG-NE2 3.12Å; S298-A306 PolarHBondContact N-O 3.05Å; S298-A306 PolarHBondContact OG-O 3.15Å; S298-N308 VanDerWaalsContact CB-OD1 3.24Å; S298-N308 WeakPolarHBondContact CB-OD1 3.26Å; S298-N308 PolarHBondContact OG-N 3.32Å; S298-N308 PolarHBondContact OG-OD1 3.46Å
299	G	90.4	Very high	95.4	Very high	31 Å²	31	45.8 Å²	45.8	32%	0.32	27%	0.265	S	S	.	.	S	Bend	trans	98.3	-160.4	-179.6	0	0	0	0	0	114.2	S297 H301 L305 A306	S297-G299 VanDerWaalsContact C-N 3.28Å; S297-G299 PolarHBondContact OG-N 3.48Å; S297-G299 PolarHBondContact OG-O 3.41Å; G299-H301 PolarHBondContact O-CD2 3.13Å; G299-L305 WeakPolarHBondContact O-CA 3.3Å; G299-A306 PolarHBondContact O-N 3.01Å; G299-A306 VanDerWaalsContact O-N 3.1Å
300	K	94.1	Very high	95.6	Very high	164 Å²	164	41.5 Å²	41.5	71%	0.713	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90	103.8	-176.8	-167.4	177.1	-173.3	176.4	0	110.7	G303 I304	K300-G303 WeakPolarHBondContact CE-O 3.47Å; K300-I304 CarbonylContact C-O 3.58Å; K300-I304 VanDerWaalsContact CA-O 3.32Å; K300-I304 WeakPolarHBondContact CA-O 3.47Å
301	H	96	Very high	95.6	Very high	49 Å²	49	41.9 Å²	41.9	23%	0.227	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.1	178	-64.1	-94.6	0	0	0	110.4	S298 G299 G303 I304 A306 S311	S298-H301 PolarHBondContact O-NE2 3.31Å; S298-H301 PolarHBondContact OG-NE2 3.27Å; S298-H301 VanDerWaalsContact OG-NE2 3.12Å; G299-H301 PolarHBondContact O-CD2 3.13Å; H301-G303 PolarHBondContact O-N 3.11Å; H301-G303 VanDerWaalsContact O-N 3.14Å; H301-I304 PolarHBondContact N-O 3.01Å; H301-I304 PolarHBondContact O-N 3.42Å; H301-I304 VanDerWaalsContact O-N 3.14Å; H301-I304 VanDerWaalsContact O-O 3.13Å; H301-A306 HydrophobicContact CB-CB 4.26Å; H301-A306 PolarHBondContact CD2-O 3.03Å; H301-S311 VanDerWaalsContact CB-CB 3.46Å; H301-S311 VanDerWaalsContact CG-CB 3.47Å
302	Y	96.6	Very high	95.6	Very high	46 Å²	46	38.7 Å²	38.7	18%	0.18	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	36	178.9	-49.9	-62.6	0	0	0	113.6	F314 K315 M356 N357 A360 V361	Y302-F314 AromaticContact CD2-CD1 3.69Å; Y302-F314 HydrophobicContact CD2-CD1 3.69Å; Y302-F314 HydrophobicContact CD2-CE1 4.38Å; Y302-F314 HydrophobicContact CE2-CD1 4.37Å; Y302-F314 AromaticContact CG-CD1 3.86Å; Y302-F314 HydrophobicContact CG-CD1 3.86Å; Y302-F314 HydrophobicContact CG-CE1 4.08Å; Y302-K315 HydrophobicContact CE2-CB 4.09Å; Y302-K315 VanDerWaalsContact OH-CD 3.25Å; Y302-K315 WeakPolarHBondContact OH-CD 3.42Å; Y302-K315 WeakPolarHBondContact OH-CG 3.43Å; Y302-M356 CarbonylContact O-C 3.11Å; Y302-M356 WeakPolarHBondContact O-CA 3.38Å; Y302-N357 PolarHBondContact O-N 3.5Å; Y302-A360 HydrophobicContact CD1-CB 4.06Å; Y302-V361 HydrophobicContact CD1-CG2 3.68Å; Y302-V361 HydrophobicContact CE1-CB 4.4Å; Y302-V361 HydrophobicContact CE1-CG2 3.79Å; Y302-V361 HydrophobicContact CG-CG2 4.21Å
303	G	93.8	Very high	95.7	Very high	43 Å²	43	39.3 Å²	39.3	44%	0.443	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	-16.5	178.2	0	0	0	0	0	115.8	K300 H301	K300-G303 WeakPolarHBondContact CE-O 3.47Å; H301-G303 PolarHBondContact O-N 3.11Å; H301-G303 VanDerWaalsContact O-N 3.14Å
304	I	95.2	Very high	95.7	Very high	17 Å²	17	39.1 Å²	39.1	9%	0.087	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	163.4	-172.1	70.7	167.3	0	0	0	113.8	I291 V292 K300 H301 A306 M354 G355 M356	I291-I304 HydrophobicContact CD1-CB 4.02Å; I291-I304 HydrophobicContact CD1-CD1 3.98Å; I291-I304 HydrophobicContact CD1-CG2 4.38Å; I291-I304 HydrophobicContact CG1-CB 4.5Å; I291-I304 HydrophobicContact CG1-CD1 3.86Å; V292-I304 HydrophobicContact CG2-CD1 3.79Å; K300-I304 CarbonylContact C-O 3.58Å; K300-I304 VanDerWaalsContact CA-O 3.32Å; K300-I304 WeakPolarHBondContact CA-O 3.47Å; H301-I304 PolarHBondContact N-O 3.01Å; H301-I304 PolarHBondContact O-N 3.42Å; H301-I304 VanDerWaalsContact O-N 3.14Å; H301-I304 VanDerWaalsContact O-O 3.13Å; I304-A306 PolarHBondContact O-N 3.21Å; I304-M354 HydrophobicContact CD1-CB 3.99Å; I304-M354 WeakPolarHBondContact CG2-O 3.21Å; I304-G355 WeakPolarHBondContact CG2-O 3.14Å; I304-M356 HydrophobicContact CD1-CE 3.99Å; I304-M356 HydrophobicContact CD1-CG 3.39Å; I304-M356 HydrophobicContact CD1-SD 4.41Å; I304-M356 HydrophobicContact CG1-CE 4.06Å; I304-M356 HydrophobicContact CG1-CG 3.67Å
305	L	95.7	Very high	95.7	Very high	55 Å²	55	41.1 Å²	41.1	29%	0.288	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	117.7	172.4	-67	173.1	0	0	0	110.9	L288 I291 G299	L288-L305 HydrophobicContact CB-CD1 4.38Å; L288-L305 HydrophobicContact CB-CD2 4.47Å; L288-L305 HydrophobicContact CD1-CD1 4.46Å; L288-L305 HydrophobicContact CD1-CD2 3.98Å; L288-L305 HydrophobicContact CD2-CD1 3.87Å; L288-L305 HydrophobicContact CG-CD1 4.46Å; I291-L305 PolarHBondContact N-O 3.32Å; G299-L305 WeakPolarHBondContact O-CA 3.3Å
306	A	96.6	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.			trans	-146.3	147.5	-177.9	0	0	0	0	0	114.2	C290 S297 S298 G299 H301 I304 M356	C290-A306 VanDerWaalsContact SG-CA 3.59Å; S297-A306 PolarHBondContact OG-N 3.42Å; S297-A306 VanDerWaalsContact OG-N 3.14Å; S297-A306 PolarHBondContact OG-O 3.18Å; S298-A306 PolarHBondContact N-O 3.05Å; S298-A306 PolarHBondContact OG-O 3.15Å; G299-A306 PolarHBondContact O-N 3.01Å; G299-A306 VanDerWaalsContact O-N 3.1Å; H301-A306 HydrophobicContact CB-CB 4.26Å; H301-A306 PolarHBondContact CD2-O 3.03Å; I304-A306 PolarHBondContact O-N 3.21Å; A306-M356 HydrophobicContact CB-CE 3.43Å; A306-M356 VanDerWaalsContact CB-CE 3.43Å
307	C	97.6	Very high	95.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	23%	0.229	C	C	.	.			trans	-75.5	157.8	169.6	65.1	0	0	0	0	111.1	C290 D295 I296 G309 C310 S311 R340	C290-C307 HydrophobicContact CB-CB 3.91Å; C290-C307 PolarHBondContact SG-N 3.21Å; C290-C307 VanDerWaalsContact SG-N 3.44Å; C290-C307 VanDerWaalsContact SG-SG 3.67Å; D295-C307 HydrophobicContact CB-CB 4.07Å; I296-C307 WeakPolarHBondContact O-CA 3.21Å; I296-C307 WeakPolarHBondContact O-CB 3.35Å; C307-G309 PolarHBondContact O-N 2.88Å; C307-G309 VanDerWaalsContact O-N 3.09Å; C307-C310 PolarHBondContact O-N 3.11Å; C307-C310 PolarHBondContact SG-N 3.01Å; C307-C310 VanDerWaalsContact SG-N 3.43Å; C307-S311 PolarHBondContact O-N 2.94Å; C307-S311 PolarHBondContact O-OG 3.1Å; C307-R340 PolarHBondContact SG-NH1 3.32Å
308	N	95.9	Very high	96	Very high	117 Å²	117	42.9 Å²	42.9	63%	0.626	23%	0.234	S	C	*	.	H	α-helix	trans	-51.3	-34.3	175.4	-72.2	-24.9	0	0	0	113.2	S298 S311 G312	S298-N308 VanDerWaalsContact CB-OD1 3.24Å; S298-N308 WeakPolarHBondContact CB-OD1 3.26Å; S298-N308 PolarHBondContact OG-N 3.32Å; S298-N308 PolarHBondContact OG-OD1 3.46Å; N308-S311 WeakPolarHBondContact CA-OG 3.28Å; N308-S311 PolarHBondContact O-OG 3.14Å; N308-G312 WeakPolarHBondContact O-CA 3.39Å; N308-G312 PolarHBondContact O-N 3.37Å
309	G	96.9	Very high	96.1	Very high	28 Å²	28	44 Å²	44	29%	0.289	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-41.8	177.5	0	0	0	0	0	113.5	C307 F313 R347	C307-G309 PolarHBondContact O-N 2.88Å; C307-G309 VanDerWaalsContact O-N 3.09Å; G309-F313 VanDerWaalsContact O-CB 3.25Å; G309-F313 WeakPolarHBondContact O-CB 3.48Å; G309-F313 PolarHBondContact O-N 3.06Å; G309-F313 VanDerWaalsContact O-N 3.13Å; G309-R347 PolarHBondContact O-NH2 2.99Å
310	C	98.3	Very high	96.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-84.6	-37.4	-178.8	-75.3	0	0	0	0	112.9	V292 C293 C307 F313 F314 R347 M356	V292-C310 HydrophobicContact CB-CB 4.35Å; V292-C310 HydrophobicContact CG1-CB 4.47Å; C293-C310 PolarHBondContact SG-SG 3.26Å; C307-C310 PolarHBondContact O-N 3.11Å; C307-C310 PolarHBondContact SG-N 3.01Å; C307-C310 VanDerWaalsContact SG-N 3.43Å; C310-F313 PolarHBondContact O-N 3.04Å; C310-F314 WeakPolarHBondContact O-CB 3.44Å; C310-F314 PolarHBondContact O-N 3.15Å; C310-R347 PolarHBondContact SG-NH2 3.28Å; C310-M356 HydrophobicContact CB-CE 4.39Å
311	S	97.3	Very high	96.2	Very high	10 Å²	10	52 Å²	52	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-63.8	-44.8	172	62.8	0	0	0	0	111.2	H301 C307 N308 F313 F314 K315	H301-S311 VanDerWaalsContact CB-CB 3.46Å; H301-S311 VanDerWaalsContact CG-CB 3.47Å; C307-S311 PolarHBondContact O-N 2.94Å; C307-S311 PolarHBondContact O-OG 3.1Å; N308-S311 WeakPolarHBondContact CA-OG 3.28Å; N308-S311 PolarHBondContact O-OG 3.14Å; S311-F313 PolarHBondContact O-N 3.21Å; S311-F314 PolarHBondContact O-N 2.76Å; S311-K315 VanDerWaalsContact O-CB 3.27Å; S311-K315 WeakPolarHBondContact O-CB 3.07Å; S311-K315 PolarHBondContact O-N 3.49Å
312	G	97.1	Very high	96.2	Very high	13 Å²	13	53.1 Å²	53.1	13%	0.134	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-40.1	175	0	0	0	0	0	113.8	N308 R316	N308-G312 WeakPolarHBondContact O-CA 3.39Å; N308-G312 PolarHBondContact O-N 3.37Å; G312-R316 WeakPolarHBondContact O-CG 3.45Å; G312-R316 PolarHBondContact O-N 2.83Å
313	F	98.1	Very high	96.1	Very high	12 Å²	12	58.6 Å²	58.6	5%	0.053	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-52	173.9	169.4	-96.6	0	0	0	112	G309 C310 S311 K315 R316 S317 Y324 Q344 R347 M348	G309-F313 VanDerWaalsContact O-CB 3.25Å; G309-F313 WeakPolarHBondContact O-CB 3.48Å; G309-F313 PolarHBondContact O-N 3.06Å; G309-F313 VanDerWaalsContact O-N 3.13Å; C310-F313 PolarHBondContact O-N 3.04Å; S311-F313 PolarHBondContact O-N 3.21Å; F313-K315 PolarHBondContact O-N 3.45Å; F313-R316 PolarHBondContact O-N 3.37Å; F313-S317 WeakPolarHBondContact O-CB 3.47Å; F313-S317 PolarHBondContact O-N 2.88Å; F313-S317 PolarHBondContact O-OG 2.87Å; F313-Y324 AromaticContact CE2-CE2 3.94Å; F313-Y324 HydrophobicContact CE2-CE2 3.94Å; F313-Y324 HydrophobicContact CZ-CD2 4.26Å; F313-Y324 AromaticContact CZ-CE2 3.65Å; F313-Y324 HydrophobicContact CZ-CE2 3.65Å; F313-Q344 HydrophobicContact CE2-CB 4.15Å; F313-Q344 HydrophobicContact CE2-CG 4.32Å; F313-Q344 HydrophobicContact CZ-CB 4.33Å; F313-Q344 WeakPolarHBondContact CZ-O 3.5Å; F313-R347 HydrophobicContact CD1-CG 4.01Å; F313-R347 HydrophobicContact CE1-CB 4.03Å; F313-R347 HydrophobicContact CE1-CG 3.89Å; F313-R347 HydrophobicContact CZ-CB 4.14Å; F313-R347 HydrophobicContact CZ-CG 4.37Å; F313-M348 HydrophobicContact CE1-CB 3.98Å; F313-M348 HydrophobicContact CE1-CE 4.14Å; F313-M348 HydrophobicContact CZ-CB 4.1Å
314	F	98.1	Very high	96.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-46.1	-179.5	-174.7	-102.2	0	0	0	111.4	Y302 C310 S311 R316 S317 V318 M348 C351 I352 M356 N357 K358 V361	Y302-F314 AromaticContact CD2-CD1 3.69Å; Y302-F314 HydrophobicContact CD2-CD1 3.69Å; Y302-F314 HydrophobicContact CD2-CE1 4.38Å; Y302-F314 HydrophobicContact CE2-CD1 4.37Å; Y302-F314 AromaticContact CG-CD1 3.86Å; Y302-F314 HydrophobicContact CG-CD1 3.86Å; Y302-F314 HydrophobicContact CG-CE1 4.08Å; C310-F314 WeakPolarHBondContact O-CB 3.44Å; C310-F314 PolarHBondContact O-N 3.15Å; S311-F314 PolarHBondContact O-N 2.76Å; F314-R316 PolarHBondContact O-N 3.29Å; F314-S317 PolarHBondContact O-N 3Å; F314-V318 HydrophobicContact CD1-CG2 4.2Å; F314-V318 HydrophobicContact CD2-CG2 4.16Å; F314-V318 HydrophobicContact CE1-CG2 3.9Å; F314-V318 HydrophobicContact CE2-CG2 3.84Å; F314-V318 HydrophobicContact CG-CG2 4.33Å; F314-V318 HydrophobicContact CZ-CG2 3.71Å; F314-V318 WeakPolarHBondContact O-CG2 3.3Å; F314-V318 PolarHBondContact O-N 3.3Å; F314-M348 HydrophobicContact CD2-CE 3.89Å; F314-M348 HydrophobicContact CD2-SD 3.91Å; F314-M348 HydrophobicContact CE2-CE 4.36Å; F314-M348 HydrophobicContact CE2-SD 4.02Å; F314-C351 HydrophobicContact CD2-CB 3.76Å; F314-C351 HydrophobicContact CE2-CB 4.33Å; F314-I352 HydrophobicContact CE2-CG1 4.04Å; F314-M356 HydrophobicContact CB-SD 3.55Å; F314-M356 VanDerWaalsContact CB-SD 3.55Å; F314-M356 HydrophobicContact CD1-CB 4.06Å; F314-M356 HydrophobicContact CD1-SD 4.05Å; F314-M356 HydrophobicContact CD2-CB 3.89Å; F314-M356 HydrophobicContact CD2-CG 4.48Å; F314-M356 HydrophobicContact CD2-SD 3.83Å; F314-M356 HydrophobicContact CE1-CB 3.77Å; F314-M356 HydrophobicContact CE2-CB 3.61Å; F314-M356 HydrophobicContact CG-CB 4.1Å; F314-M356 HydrophobicContact CG-CG 4.44Å; F314-M356 HydrophobicContact CG-SD 3.54Å; F314-M356 VanDerWaalsContact CG-SD 3.54Å; F314-M356 HydrophobicContact CZ-CB 3.54Å; F314-M356 VanDerWaalsContact CZ-O 3.26Å; F314-M356 WeakPolarHBondContact CZ-O 3.45Å; F314-N357 WeakPolarHBondContact CE1-O 3.16Å; F314-K358 HydrophobicContact CZ-CB 4.44Å; F314-K358 HydrophobicContact CZ-CG 4.01Å; F314-V361 HydrophobicContact CD1-CG2 3.81Å; F314-V361 HydrophobicContact CE1-CG2 3.52Å
315	K	96.8	Very high	96.2	Very high	91 Å²	91	68.4 Å²	68.4	40%	0.396	31%	0.313	S	S	.	.	H	α-helix	trans	-53.6	-46.8	176.9	-171	-179.2	78.4	176.2	0	113	Y302 S311 F313 R319 V361	Y302-K315 HydrophobicContact CE2-CB 4.09Å; Y302-K315 VanDerWaalsContact OH-CD 3.25Å; Y302-K315 WeakPolarHBondContact OH-CD 3.42Å; Y302-K315 WeakPolarHBondContact OH-CG 3.43Å; S311-K315 VanDerWaalsContact O-CB 3.27Å; S311-K315 WeakPolarHBondContact O-CB 3.07Å; S311-K315 PolarHBondContact O-N 3.49Å; F313-K315 PolarHBondContact O-N 3.45Å; K315-R319 WeakPolarHBondContact O-CB 3.12Å; K315-R319 WeakPolarHBondContact O-CG 3.44Å; K315-R319 PolarHBondContact O-N 3.25Å; K315-V361 HydrophobicContact CG-CG1 4.34Å
316	R	96.3	Very high	96.2	Very high	134 Å²	134	67 Å²	67	51%	0.506	31%	0.308	S	S	.	.	H	α-helix	trans	-67.1	-45.1	178.8	-73.6	-174	-62.5	-99.4	4.1	111.5	G312 F313 F314 R320	G312-R316 WeakPolarHBondContact O-CG 3.45Å; G312-R316 PolarHBondContact O-N 2.83Å; F313-R316 PolarHBondContact O-N 3.37Å; F314-R316 PolarHBondContact O-N 3.29Å; R316-R320 WeakPolarHBondContact O-CB 3.15Å; R316-R320 PolarHBondContact O-N 2.93Å
317	S	97.3	Very high	96	Very high	2 Å²	2	73.6 Å²	73.6	1%	0.014	34%	0.339	C	S	.	.	H	α-helix	trans	-66.9	-43.2	-174.2	-52.3	0	0	0	0	112.2	F313 F314 K321 L322 Y324	F313-S317 WeakPolarHBondContact O-CB 3.47Å; F313-S317 PolarHBondContact O-N 2.88Å; F313-S317 PolarHBondContact O-OG 2.87Å; F314-S317 PolarHBondContact O-N 3Å; S317-K321 PolarHBondContact O-N 2.96Å; S317-K321 VanDerWaalsContact O-N 3.1Å; S317-L322 PolarHBondContact O-N 2.92Å; S317-Y324 PolarHBondContact OG-OH 2.59Å
318	V	96	Very high	95.6	Very high	38 Å²	38	76.6 Å²	76.6	23%	0.23	36%	0.364	C	S	.	.	H	α-helix	trans	-69.1	-48.1	177.3	175.8	0	0	0	0	111.2	F314 R320 K321 K358 V361	F314-V318 HydrophobicContact CD1-CG2 4.2Å; F314-V318 HydrophobicContact CD2-CG2 4.16Å; F314-V318 HydrophobicContact CE1-CG2 3.9Å; F314-V318 HydrophobicContact CE2-CG2 3.84Å; F314-V318 HydrophobicContact CG-CG2 4.33Å; F314-V318 HydrophobicContact CZ-CG2 3.71Å; F314-V318 WeakPolarHBondContact O-CG2 3.3Å; F314-V318 PolarHBondContact O-N 3.3Å; V318-R320 VanDerWaalsContact C-N 3.3Å; V318-R320 PolarHBondContact O-N 3.46Å; V318-K321 PolarHBondContact O-N 2.76Å; V318-K358 HydrophobicContact CG1-CB 4.4Å; V318-V361 HydrophobicContact CB-CB 4.21Å; V318-V361 HydrophobicContact CB-CG1 4.16Å; V318-V361 HydrophobicContact CB-CG2 4.06Å; V318-V361 HydrophobicContact CG1-CB 3.83Å; V318-V361 HydrophobicContact CG1-CG1 4.11Å; V318-V361 HydrophobicContact CG1-CG2 4.02Å; V318-V361 HydrophobicContact CG2-CG2 4.3Å
319	R	93.5	Very high	95.3	Very high	72 Å²	72	74 Å²	74	27%	0.272	37%	0.365	S	S	.	.	H	α-helix	trans	-54.5	-44.5	177	-87.6	179	162.8	64.3	2.2	112.8	K315 K321 V361 Q362 N363	K315-R319 WeakPolarHBondContact O-CB 3.12Å; K315-R319 WeakPolarHBondContact O-CG 3.44Å; K315-R319 PolarHBondContact O-N 3.25Å; R319-K321 VanDerWaalsContact C-N 3.3Å; R319-V361 HydrophobicContact CG-CG1 4.07Å; R319-V361 VanDerWaalsContact NH1-CG1 3.27Å; R319-Q362 PolarHBondContact NH1-O 2.92Å; R319-Q362 PolarHBondContact NH2-O 2.9Å; R319-N363 PolarHBondContact NH2-O 3.15Å
320	R	94.1	Very high	95	Very high	180 Å²	180	77.3 Å²	77.3	68%	0.679	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	6.6	-179.3	-66.5	178.9	179.5	-176.9	-2.5	113.5	R316 V318 L322	R316-R320 WeakPolarHBondContact O-CB 3.15Å; R316-R320 PolarHBondContact O-N 2.93Å; V318-R320 VanDerWaalsContact C-N 3.3Å; V318-R320 PolarHBondContact O-N 3.46Å; R320-L322 HydrophobicContact CB-CD1 4.07Å; R320-L322 HydrophobicContact CB-CD2 4.04Å; R320-L322 HydrophobicContact CB-CG 3.68Å; R320-L322 PolarHBondContact O-N 3.26Å; R320-L322 VanDerWaalsContact O-N 3.11Å
321	K	93.8	Very high	94.6	Very high	185 Å²	185	78.1 Å²	78.1	80%	0.804	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	36.9	-177.2	-58.8	-178.5	-179.9	178.8	0	113.7	S317 V318 R319 I323	S317-K321 PolarHBondContact O-N 2.96Å; S317-K321 VanDerWaalsContact O-N 3.1Å; V318-K321 PolarHBondContact O-N 2.76Å; R319-K321 VanDerWaalsContact C-N 3.3Å; K321-I323 PolarHBondContact O-N 2.69Å
322	L	95.4	Very high	94.3	Very high	72 Å²	72	84 Å²	84	38%	0.377	41%	0.414	S	S	.	.			trans	-71.8	121	-171.5	-63.9	177	0	0	0	111.8	S317 R320 Y324	S317-L322 PolarHBondContact O-N 2.92Å; R320-L322 HydrophobicContact CB-CD1 4.07Å; R320-L322 HydrophobicContact CB-CD2 4.04Å; R320-L322 HydrophobicContact CB-CG 3.68Å; R320-L322 PolarHBondContact O-N 3.26Å; R320-L322 VanDerWaalsContact O-N 3.11Å; L322-Y324 HydrophobicContact CB-CE1 4.16Å; L322-Y324 HydrophobicContact CB-CE2 4.14Å; L322-Y324 HydrophobicContact CD1-CE1 4.35Å; L322-Y324 VanDerWaalsContact CD1-OH 3.31Å; L322-Y324 WeakPolarHBondContact CD1-OH 3.18Å
323	I	93.8	Very high	94.2	Very high	160 Å²	160	85 Å²	85	82%	0.821	42%	0.418	S	S	*	.			trans	-95.6	119.4	172.3	-57.3	176.3	0	0	0	108	K321	K321-I323 PolarHBondContact O-N 2.69Å
324	Y	96.4	Very high	94	Very high	61 Å²	61	90.2 Å²	90.2	24%	0.239	45%	0.445	C	S	.	.			trans	-107.1	134.6	-180	-61.1	-62.6	0	0	0	110.9	F313 S317 L322 Q344 A345 M348	F313-Y324 AromaticContact CE2-CE2 3.94Å; F313-Y324 HydrophobicContact CE2-CE2 3.94Å; F313-Y324 HydrophobicContact CZ-CD2 4.26Å; F313-Y324 AromaticContact CZ-CE2 3.65Å; F313-Y324 HydrophobicContact CZ-CE2 3.65Å; S317-Y324 PolarHBondContact OG-OH 2.59Å; L322-Y324 HydrophobicContact CB-CE1 4.16Å; L322-Y324 HydrophobicContact CB-CE2 4.14Å; L322-Y324 HydrophobicContact CD1-CE1 4.35Å; L322-Y324 VanDerWaalsContact CD1-OH 3.31Å; L322-Y324 WeakPolarHBondContact CD1-OH 3.18Å; Y324-Q344 HydrophobicContact CD1-CB 3.85Å; Y324-Q344 HydrophobicContact CD2-CB 4.18Å; Y324-Q344 HydrophobicContact CE1-CB 3.97Å; Y324-Q344 HydrophobicContact CE2-CB 4.28Å; Y324-Q344 HydrophobicContact CG-CB 3.94Å; Y324-A345 WeakPolarHBondContact O-CB 3.35Å; Y324-M348 HydrophobicContact CD2-CB 4.09Å
325	R	94.9	Very high	93.9	Very high	205 Å²	205	90.6 Å²	90.6	77%	0.774	45%	0.448	S	S	*	.			trans	-98.1	147.6	169	-61.2	-173.7	-179.1	-157.1	-0.7	109.9	A345	R325-A345 VanDerWaalsContact C-CB 3.46Å; R325-A345 WeakPolarHBondContact O-CB 3.47Å
326	C	96.9	Very high	93.9	Very high	25 Å²	25	88.6 Å²	88.6	17%	0.169	44%	0.441	C	S	.	.			trans	-81.5	121.1	177.3	-174.6	0	0	0	0	109.7	A328 G329 A345	C326-A328 PolarHBondContact O-N 2.92Å; C326-G329 PolarHBondContact O-N 3.16Å; C326-A345 HydrophobicContact CB-CB 4.18Å
327	Q	91.2	Very high	93.8	Very high	140 Å²	140	87.7 Å²	87.7	65%	0.654	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.1	177.8	-72.9	172.3	-55.4	0	0	112.6	G329	Q327-G329 VanDerWaalsContact C-N 3.3Å; Q327-G329 PolarHBondContact O-N 3.47Å
328	A	90.6	Very high	93.7	Very high	64 Å²	64	90.8 Å²	90.8	53%	0.529	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	3.4	174.4	0	0	0	0	0	114.2	C326 N330	C326-A328 PolarHBondContact O-N 2.92Å; A328-N330 PolarHBondContact O-N 2.86Å
329	G	89	Confident	93.5	Very high	63 Å²	63	92.7 Å²	92.7	65%	0.649	47%	0.473	S	S	*	.	S	Bend	trans	70.3	-52.6	-178.1	0	0	0	0	0	115.1	C326 Q327 G331	C326-G329 PolarHBondContact O-N 3.16Å; Q327-G329 VanDerWaalsContact C-N 3.3Å; Q327-G329 PolarHBondContact O-N 3.47Å; G329-G331 PolarHBondContact O-N 2.84Å
330	N	89.8	Confident	93.6	Very high	97 Å²	97	91 Å²	91	52%	0.519	47%	0.467	S	S	.	.	S	Bend	trans	-58.3	-21.2	-169.2	64.9	17	0	0	0	116.1	A328 L332	A328-N330 PolarHBondContact O-N 2.86Å; N330-L332 VanDerWaalsContact C-N 3.26Å; N330-L332 HydrophobicContact CB-CB 4.44Å; N330-L332 HydrophobicContact CB-CD1 4.47Å; N330-L332 HydrophobicContact CB-CG 4.48Å; N330-L332 PolarHBondContact O-N 2.93Å; N330-L332 PolarHBondContact OD1-N 2.85Å
331	G	89.9	Confident	93.6	Very high	17 Å²	17	87.9 Å²	87.9	18%	0.175	46%	0.463	C	S	.	.	S	Bend	trans	65.4	23.1	-175.1	0	0	0	0	0	114.9	G329 C346	G329-G331 PolarHBondContact O-N 2.84Å; G331-C346 VanDerWaalsContact CA-SG 3.59Å; G331-C346 PolarHBondContact O-SG 2.91Å
332	L	91.4	Very high	93.7	Very high	134 Å²	134	85 Å²	85	70%	0.702	45%	0.453	S	S	*	.			trans	-118.1	7.3	-173.7	-66.9	175.4	0	0	0	115.1	N330 I334	N330-L332 VanDerWaalsContact C-N 3.26Å; N330-L332 HydrophobicContact CB-CB 4.44Å; N330-L332 HydrophobicContact CB-CD1 4.47Å; N330-L332 HydrophobicContact CB-CG 4.48Å; N330-L332 PolarHBondContact O-N 2.93Å; N330-L332 PolarHBondContact OD1-N 2.85Å; L332-I334 PolarHBondContact O-N 2.86Å
333	C	95.9	Very high	93.7	Very high	33 Å²	33	81.9 Å²	81.9	22%	0.223	44%	0.437	C	S	.	.			trans	-52.8	139.8	179.9	-52.6	0	0	0	0	112.7	C343 C346	C333-C343 HydrophobicContact CB-CB 3.65Å; C333-C346 HydrophobicContact CB-CB 3.86Å; C333-C346 PolarHBondContact N-SG 2.96Å; C333-C346 VanDerWaalsContact N-SG 3.39Å
334	I	93.5	Very high	93.9	Very high	121 Å²	121	79.2 Å²	79.2	62%	0.621	42%	0.421	S	S	*	.			trans	-65.7	138.2	-179.3	-56.7	177	0	0	0	110	L332 D336	L332-I334 PolarHBondContact O-N 2.86Å; I334-D336 VanDerWaalsContact CG2-OD2 3.32Å; I334-D336 WeakPolarHBondContact CG2-OD2 3.4Å
335	I	96.5	Very high	94	Very high	9 Å²	9	77 Å²	77	5%	0.046	42%	0.415	C	S	.	.			trans	-129.9	91	-179.7	-56.1	-65.5	0	0	0	108.7	V292 C293 R340 C346 R347 K350	V292-I335 HydrophobicContact CG1-CG2 4.34Å; V292-I335 WeakPolarHBondContact O-CG2 3.27Å; C293-I335 HydrophobicContact CB-CG2 4.26Å; I335-R340 HydrophobicContact CG2-CB 3.96Å; I335-C346 HydrophobicContact CD1-CB 4.04Å; I335-C346 HydrophobicContact CG1-CB 4.21Å; I335-R347 HydrophobicContact CD1-CB 3.9Å; I335-R347 HydrophobicContact CG2-CG 4.22Å; I335-K350 HydrophobicContact CB-CD 3.74Å; I335-K350 HydrophobicContact CG1-CD 4.32Å; I335-K350 HydrophobicContact CG2-CD 3.99Å; I335-K350 PolarHBondContact O-NZ 2.99Å
336	D	95.7	Very high	94.1	Very high	49 Å²	49	67.5 Å²	67.5	26%	0.262	38%	0.38	S	S	.	.	S	Bend	trans	-121.1	-169	173.7	61.7	59.2	0	0	0	110.7	C293 I334 A338 H339 R340	C293-D336 CarbonylContact O-C 3.57Å; C293-D336 WeakPolarHBondContact O-CA 3.46Å; I334-D336 VanDerWaalsContact CG2-OD2 3.32Å; I334-D336 WeakPolarHBondContact CG2-OD2 3.4Å; D336-A338 VanDerWaalsContact C-N 3.34Å; D336-A338 PolarHBondContact O-N 3.4Å; D336-A338 WeakPolarHBondContact OD1-CA 3.36Å; D336-A338 PolarHBondContact OD1-N 3.09Å; D336-H339 IonicContact OD1-CG 2.71Å; D336-H339 PolarHBondContact OD1-N 2.8Å; D336-H339 IonicContact OD1-ND1 3.24Å; D336-H339 PolarHBondContact OD1-ND1 3.18Å; D336-H339 IonicContact OD2-CE1 3.88Å; D336-H339 IonicContact OD2-CG 3.19Å; D336-H339 IonicContact OD2-ND1 3.06Å; D336-H339 PolarHBondContact OD2-ND1 3.21Å; D336-R340 WeakPolarHBondContact O-CB 3.43Å; D336-R340 WeakPolarHBondContact O-CD 3.25Å; D336-R340 WeakPolarHBondContact O-CG 3.26Å; D336-R340 PolarHBondContact O-N 2.89Å; D336-R340 VanDerWaalsContact O-N 3.11Å
337	K	95	Very high	94.2	Very high	114 Å²	114	66.8 Å²	66.8	50%	0.496	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-37	-176.1	178.8	169.1	176.2	146.3	0	113.3	C293 D295 R340	C293-K337 PolarHBondContact O-N 3.31Å; D295-K337 HydrophobicContact CB-CB 4.23Å; D295-K337 HydrophobicContact CB-CD 4.13Å; D295-K337 HydrophobicContact CB-CG 3.99Å; D295-K337 WeakPolarHBondContact OD1-CD 3.33Å; D295-K337 WeakPolarHBondContact OD1-CE 3.29Å; D295-K337 IonicContact OD1-NZ 2.73Å; D295-K337 PolarHBondContact OD1-NZ 2.97Å; K337-R340 WeakPolarHBondContact O-CD 3.44Å; K337-R340 PolarHBondContact O-NE 2.8Å
338	A	94.9	Very high	94.5	Very high	67 Å²	67	61.3 Å²	61.3	55%	0.554	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-52.7	179.1	0	0	0	0	0	110.9	D336 R340	D336-A338 VanDerWaalsContact C-N 3.34Å; D336-A338 PolarHBondContact O-N 3.4Å; D336-A338 WeakPolarHBondContact OD1-CA 3.36Å; D336-A338 PolarHBondContact OD1-N 3.09Å; A338-R340 PolarHBondContact O-N 3.11Å
339	H	92.5	Very high	94.8	Very high	79 Å²	79	64 Å²	64	37%	0.366	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-86.1	-8.1	-166.1	-53.2	118.9	0	0	0	114.6	D336 N341 Q342	D336-H339 IonicContact OD1-CG 2.71Å; D336-H339 PolarHBondContact OD1-N 2.8Å; D336-H339 IonicContact OD1-ND1 3.24Å; D336-H339 PolarHBondContact OD1-ND1 3.18Å; D336-H339 IonicContact OD2-CE1 3.88Å; D336-H339 IonicContact OD2-CG 3.19Å; D336-H339 IonicContact OD2-ND1 3.06Å; D336-H339 PolarHBondContact OD2-ND1 3.21Å; H339-N341 PolarHBondContact O-N 2.88Å; H339-Q342 HydrophobicContact CB-CG 4.36Å; H339-Q342 PolarHBondContact CD2-NE2 2.83Å; H339-Q342 VanDerWaalsContact CD2-NE2 3.29Å; H339-Q342 WeakPolarHBondContact O-CB 3.38Å; H339-Q342 PolarHBondContact O-N 3.29Å
340	R	94.5	Very high	95.2	Very high	37 Å²	37	63 Å²	63	14%	0.14	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-51.1	-16.6	174.4	57.9	-171.1	179.4	176.2	-5.1	116.3	C293 D295 C307 I335 D336 K337 A338 R347	C293-R340 HydrophobicContact CB-CB 4.29Å; C293-R340 PolarHBondContact SG-NH1 3.12Å; D295-R340 VanDerWaalsContact CB-NH1 3.35Å; D295-R340 IonicContact OD2-CZ 2.72Å; D295-R340 IonicContact OD2-NH1 2.76Å; D295-R340 PolarHBondContact OD2-NH1 2.78Å; D295-R340 IonicContact OD2-NH2 3.16Å; D295-R340 PolarHBondContact OD2-NH2 3.46Å; C307-R340 PolarHBondContact SG-NH1 3.32Å; I335-R340 HydrophobicContact CG2-CB 3.96Å; D336-R340 WeakPolarHBondContact O-CB 3.43Å; D336-R340 WeakPolarHBondContact O-CD 3.25Å; D336-R340 WeakPolarHBondContact O-CG 3.26Å; D336-R340 PolarHBondContact O-N 2.89Å; D336-R340 VanDerWaalsContact O-N 3.11Å; K337-R340 WeakPolarHBondContact O-CD 3.44Å; K337-R340 PolarHBondContact O-NE 2.8Å; A338-R340 PolarHBondContact O-N 3.11Å; R340-R347 VanDerWaalsContact O-CD 3.26Å; R340-R347 WeakPolarHBondContact O-CD 3.25Å; R340-R347 PolarHBondContact O-NH1 3.45Å
341	N	95.1	Very high	95.6	Very high	114 Å²	114	58.3 Å²	58.3	61%	0.61	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-90.5	-20	176.4	-69	-9.7	0	0	0	113.4	H339 C343 R347	H339-N341 PolarHBondContact O-N 2.88Å; N341-C343 PolarHBondContact O-N 2.75Å; N341-R347 PolarHBondContact OD1-NH1 2.88Å
342	Q	94	Very high	95.9	Very high	125 Å²	125	61 Å²	61	58%	0.584	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-40.1	-174.7	-69.3	179.4	-17.2	0	0	113.4	H339	H339-Q342 HydrophobicContact CB-CG 4.36Å; H339-Q342 PolarHBondContact CD2-NE2 2.83Å; H339-Q342 VanDerWaalsContact CD2-NE2 3.29Å; H339-Q342 WeakPolarHBondContact O-CB 3.38Å; H339-Q342 PolarHBondContact O-N 3.29Å
343	C	97.4	Very high	96.2	Very high	6 Å²	6	63 Å²	63	4%	0.041	31%	0.308	C	S	.	.			trans	-134.6	101.6	-178.9	-175.5	0	0	0	0	112.2	C333 N341 A345 C346 R347	C333-C343 HydrophobicContact CB-CB 3.65Å; N341-C343 PolarHBondContact O-N 2.75Å; C343-A345 VanDerWaalsContact C-N 3.26Å; C343-A345 PolarHBondContact O-N 3.04Å; C343-C346 HydrophobicContact CB-CB 4.04Å; C343-C346 PolarHBondContact O-N 3.32Å; C343-C346 PolarHBondContact SG-N 3.47Å; C343-C346 VanDerWaalsContact SG-N 3.42Å; C343-R347 WeakPolarHBondContact O-CB 3.23Å; C343-R347 PolarHBondContact O-N 3.17Å
344	Q	97.3	Very high	96.2	Very high	103 Å²	103	64.7 Å²	64.7	48%	0.481	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-34.1	179.3	-61.1	-179.4	4.2	0	0	112.1	F313 Y324 R347 M348	F313-Q344 HydrophobicContact CE2-CB 4.15Å; F313-Q344 HydrophobicContact CE2-CG 4.32Å; F313-Q344 HydrophobicContact CZ-CB 4.33Å; F313-Q344 WeakPolarHBondContact CZ-O 3.5Å; Y324-Q344 HydrophobicContact CD1-CB 3.85Å; Y324-Q344 HydrophobicContact CD2-CB 4.18Å; Y324-Q344 HydrophobicContact CE1-CB 3.97Å; Y324-Q344 HydrophobicContact CE2-CB 4.28Å; Y324-Q344 HydrophobicContact CG-CB 3.94Å; Q344-R347 PolarHBondContact O-N 2.74Å; Q344-M348 WeakPolarHBondContact O-CB 3.28Å; Q344-M348 PolarHBondContact O-N 2.76Å
345	A	97.6	Very high	96.4	Very high	14 Å²	14	60.9 Å²	60.9	12%	0.116	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-50.4	175.6	0	0	0	0	0	112.7	Y324 R325 C326 C343 R347 M348 K349	Y324-A345 WeakPolarHBondContact O-CB 3.35Å; R325-A345 VanDerWaalsContact C-CB 3.46Å; R325-A345 WeakPolarHBondContact O-CB 3.47Å; C326-A345 HydrophobicContact CB-CB 4.18Å; C343-A345 VanDerWaalsContact C-N 3.26Å; C343-A345 PolarHBondContact O-N 3.04Å; A345-R347 VanDerWaalsContact C-N 3.3Å; A345-R347 PolarHBondContact O-N 3.28Å; A345-M348 PolarHBondContact O-N 2.89Å; A345-K349 WeakPolarHBondContact O-CB 3.12Å; A345-K349 PolarHBondContact O-N 2.88Å
346	C	97.9	Very high	96.4	Very high	6 Å²	6	60.7 Å²	60.7	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-35.9	176.9	-69.4	0	0	0	0	111.8	G331 C333 I335 C343 K349 K350	G331-C346 VanDerWaalsContact CA-SG 3.59Å; G331-C346 PolarHBondContact O-SG 2.91Å; C333-C346 HydrophobicContact CB-CB 3.86Å; C333-C346 PolarHBondContact N-SG 2.96Å; C333-C346 VanDerWaalsContact N-SG 3.39Å; I335-C346 HydrophobicContact CD1-CB 4.04Å; I335-C346 HydrophobicContact CG1-CB 4.21Å; C343-C346 HydrophobicContact CB-CB 4.04Å; C343-C346 PolarHBondContact O-N 3.32Å; C343-C346 PolarHBondContact SG-N 3.47Å; C343-C346 VanDerWaalsContact SG-N 3.42Å; C346-K349 PolarHBondContact O-N 3.06Å; C346-K350 WeakPolarHBondContact O-CB 3.19Å; C346-K350 PolarHBondContact O-N 2.81Å
347	R	98	Very high	96.4	Very high	11 Å²	11	61.9 Å²	61.9	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-48.5	172.7	-163.2	-169.7	-167.7	143.9	-7.1	111.8	G309 C310 F313 I335 R340 N341 C343 Q344 A345 K350 C351	G309-R347 PolarHBondContact O-NH2 2.99Å; C310-R347 PolarHBondContact SG-NH2 3.28Å; F313-R347 HydrophobicContact CD1-CG 4.01Å; F313-R347 HydrophobicContact CE1-CB 4.03Å; F313-R347 HydrophobicContact CE1-CG 3.89Å; F313-R347 HydrophobicContact CZ-CB 4.14Å; F313-R347 HydrophobicContact CZ-CG 4.37Å; I335-R347 HydrophobicContact CD1-CB 3.9Å; I335-R347 HydrophobicContact CG2-CG 4.22Å; R340-R347 VanDerWaalsContact O-CD 3.26Å; R340-R347 WeakPolarHBondContact O-CD 3.25Å; R340-R347 PolarHBondContact O-NH1 3.45Å; N341-R347 PolarHBondContact OD1-NH1 2.88Å; C343-R347 WeakPolarHBondContact O-CB 3.23Å; C343-R347 PolarHBondContact O-N 3.17Å; Q344-R347 PolarHBondContact O-N 2.74Å; A345-R347 VanDerWaalsContact C-N 3.3Å; A345-R347 PolarHBondContact O-N 3.28Å; R347-K350 PolarHBondContact O-N 3.37Å; R347-C351 PolarHBondContact O-N 3.12Å; R347-C351 PolarHBondContact O-SG 3.13Å; R347-C351 VanDerWaalsContact O-SG 3.38Å
348	M	97.7	Very high	96.4	Very high	24 Å²	24	61.5 Å²	61.5	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-45.8	177.2	175.7	50.2	77.8	0	0	111.8	F313 F314 Y324 Q344 A345 K350 C351 I352	F313-M348 HydrophobicContact CE1-CB 3.98Å; F313-M348 HydrophobicContact CE1-CE 4.14Å; F313-M348 HydrophobicContact CZ-CB 4.1Å; F314-M348 HydrophobicContact CD2-CE 3.89Å; F314-M348 HydrophobicContact CD2-SD 3.91Å; F314-M348 HydrophobicContact CE2-CE 4.36Å; F314-M348 HydrophobicContact CE2-SD 4.02Å; Y324-M348 HydrophobicContact CD2-CB 4.09Å; Q344-M348 WeakPolarHBondContact O-CB 3.28Å; Q344-M348 PolarHBondContact O-N 2.76Å; A345-M348 PolarHBondContact O-N 2.89Å; M348-K350 VanDerWaalsContact C-N 3.27Å; M348-K350 PolarHBondContact O-N 3.47Å; M348-C351 WeakPolarHBondContact O-CB 3.44Å; M348-C351 PolarHBondContact O-N 2.86Å; M348-C351 VanDerWaalsContact O-N 3.17Å; M348-C351 HydrophobicContact SD-CB 4.47Å; M348-I352 HydrophobicContact CG-CD1 4.07Å; M348-I352 PolarHBondContact O-N 3.08Å; M348-I352 HydrophobicContact SD-CD1 3.58Å; M348-I352 VanDerWaalsContact SD-CD1 3.58Å; M348-I352 HydrophobicContact SD-CG1 3.77Å
349	K	97	Very high	96.3	Very high	120 Å²	120	65.1 Å²	65.1	52%	0.522	32%	0.318	S	S	.	.	H	α-helix	trans	-56.6	-41.1	174.7	-167.5	175.9	-178.4	-178.2	0	111.1	A345 C346 R353	A345-K349 WeakPolarHBondContact O-CB 3.12Å; A345-K349 PolarHBondContact O-N 2.88Å; C346-K349 PolarHBondContact O-N 3.06Å; K349-R353 WeakPolarHBondContact O-CB 3.45Å; K349-R353 PolarHBondContact O-N 3.34Å
350	K	97.7	Very high	96.2	Very high	42 Å²	42	63.7 Å²	63.7	18%	0.183	32%	0.32	C	S	.	.	H	α-helix	trans	-72.3	-38.4	175.3	-163.9	175.6	177.6	-170	0	113	V292 I335 C346 R347 M348 R353 M354	V292-K350 HydrophobicContact CG1-CB 4.38Å; V292-K350 HydrophobicContact CG1-CD 4.47Å; V292-K350 HydrophobicContact CG1-CG 4.28Å; V292-K350 WeakPolarHBondContact O-CD 3.36Å; V292-K350 WeakPolarHBondContact O-CE 3.11Å; V292-K350 PolarHBondContact O-NZ 3.44Å; I335-K350 HydrophobicContact CB-CD 3.74Å; I335-K350 HydrophobicContact CG1-CD 4.32Å; I335-K350 HydrophobicContact CG2-CD 3.99Å; I335-K350 PolarHBondContact O-NZ 2.99Å; C346-K350 WeakPolarHBondContact O-CB 3.19Å; C346-K350 PolarHBondContact O-N 2.81Å; R347-K350 PolarHBondContact O-N 3.37Å; M348-K350 VanDerWaalsContact C-N 3.27Å; M348-K350 PolarHBondContact O-N 3.47Å; K350-R353 PolarHBondContact O-N 2.99Å; K350-M354 HydrophobicContact CG-CE 4.2Å; K350-M354 HydrophobicContact CG-CG 4.03Å; K350-M354 VanDerWaalsContact O-CB 3.31Å; K350-M354 WeakPolarHBondContact O-CB 3.4Å; K350-M354 WeakPolarHBondContact O-CG 3.4Å; K350-M354 PolarHBondContact O-N 2.66Å
351	C	98.2	Very high	96.1	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-54.7	-52.6	172.4	-78.2	0	0	0	0	111.5	F314 R347 M348 G355 M356	F314-C351 HydrophobicContact CD2-CB 3.76Å; F314-C351 HydrophobicContact CE2-CB 4.33Å; R347-C351 PolarHBondContact O-N 3.12Å; R347-C351 PolarHBondContact O-SG 3.13Å; R347-C351 VanDerWaalsContact O-SG 3.38Å; M348-C351 WeakPolarHBondContact O-CB 3.44Å; M348-C351 PolarHBondContact O-N 2.86Å; M348-C351 VanDerWaalsContact O-N 3.17Å; M348-C351 HydrophobicContact SD-CB 4.47Å; C351-G355 PolarHBondContact O-N 3.09Å; C351-M356 HydrophobicContact CB-CB 4.4Å; C351-M356 HydrophobicContact CB-CG 4.23Å; C351-M356 HydrophobicContact CB-SD 3.62Å; C351-M356 VanDerWaalsContact O-CB 3.29Å; C351-M356 WeakPolarHBondContact O-CB 3.45Å; C351-M356 WeakPolarHBondContact O-CG 3.5Å; C351-M356 PolarHBondContact O-N 2.95Å
352	I	97	Very high	95.5	Very high	72 Å²	72	63 Å²	63	37%	0.369	32%	0.316	S	S	.	.	H	α-helix	trans	-66.1	-48.1	179.5	-63.3	167.6	0	0	0	110.4	F314 M348 M354 G355	F314-I352 HydrophobicContact CE2-CG1 4.04Å; M348-I352 HydrophobicContact CG-CD1 4.07Å; M348-I352 PolarHBondContact O-N 3.08Å; M348-I352 HydrophobicContact SD-CD1 3.58Å; M348-I352 VanDerWaalsContact SD-CD1 3.58Å; M348-I352 HydrophobicContact SD-CG1 3.77Å; I352-M354 PolarHBondContact O-N 3Å; I352-G355 PolarHBondContact O-N 3.44Å
353	R	96.9	Very high	94.6	Very high	176 Å²	176	63.6 Å²	63.6	66%	0.664	32%	0.323	S	S	*	.	H	α-helix	trans	-60.2	-31.1	-179.6	-177.6	174.3	66.6	174.7	-0.4	113.5	K349 K350 G355	K349-R353 WeakPolarHBondContact O-CB 3.45Å; K349-R353 PolarHBondContact O-N 3.34Å; K350-R353 PolarHBondContact O-N 2.99Å; R353-G355 VanDerWaalsContact C-N 3.29Å
354	M	97	Very high	93.2	Very high	69 Å²	69	70.4 Å²	70.4	34%	0.34	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-3.5	175.9	-67.2	-58.1	-177.2	0	0	113.6	I291 V292 I304 K350 I352	I291-M354 HydrophobicContact CD1-CB 3.98Å; I291-M354 HydrophobicContact CG1-CB 4.08Å; I291-M354 HydrophobicContact CG1-CG 4.46Å; V292-M354 HydrophobicContact CG2-CB 4.28Å; V292-M354 HydrophobicContact CG2-CG 4.5Å; I304-M354 HydrophobicContact CD1-CB 3.99Å; I304-M354 WeakPolarHBondContact CG2-O 3.21Å; K350-M354 HydrophobicContact CG-CE 4.2Å; K350-M354 HydrophobicContact CG-CG 4.03Å; K350-M354 VanDerWaalsContact O-CB 3.31Å; K350-M354 WeakPolarHBondContact O-CB 3.4Å; K350-M354 WeakPolarHBondContact O-CG 3.4Å; K350-M354 PolarHBondContact O-N 2.66Å; I352-M354 PolarHBondContact O-N 3Å
355	G	96.6	Very high	91.5	Very high	41 Å²	41	74 Å²	74	42%	0.423	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.7	15.3	174	0	0	0	0	0	116.3	I304 C351 I352 R353 N357	I304-G355 WeakPolarHBondContact CG2-O 3.14Å; C351-G355 PolarHBondContact O-N 3.09Å; I352-G355 PolarHBondContact O-N 3.44Å; R353-G355 VanDerWaalsContact C-N 3.29Å; G355-N357 PolarHBondContact O-N 2.98Å
356	M	97.4	Very high	89.5	Confident	5 Å²	5	81.8 Å²	81.8	3%	0.025	40%	0.397	C	S	.	.			trans	-64.9	111	172.9	-70.9	-168.7	156.1	0	0	110.9	V292 Y302 I304 A306 C310 F314 C351 K358	V292-M356 HydrophobicContact CG2-CE 4.22Å; Y302-M356 CarbonylContact O-C 3.11Å; Y302-M356 WeakPolarHBondContact O-CA 3.38Å; I304-M356 HydrophobicContact CD1-CE 3.99Å; I304-M356 HydrophobicContact CD1-CG 3.39Å; I304-M356 HydrophobicContact CD1-SD 4.41Å; I304-M356 HydrophobicContact CG1-CE 4.06Å; I304-M356 HydrophobicContact CG1-CG 3.67Å; A306-M356 HydrophobicContact CB-CE 3.43Å; A306-M356 VanDerWaalsContact CB-CE 3.43Å; C310-M356 HydrophobicContact CB-CE 4.39Å; F314-M356 HydrophobicContact CB-SD 3.55Å; F314-M356 VanDerWaalsContact CB-SD 3.55Å; F314-M356 HydrophobicContact CD1-CB 4.06Å; F314-M356 HydrophobicContact CD1-SD 4.05Å; F314-M356 HydrophobicContact CD2-CB 3.89Å; F314-M356 HydrophobicContact CD2-CG 4.48Å; F314-M356 HydrophobicContact CD2-SD 3.83Å; F314-M356 HydrophobicContact CE1-CB 3.77Å; F314-M356 HydrophobicContact CE2-CB 3.61Å; F314-M356 HydrophobicContact CG-CB 4.1Å; F314-M356 HydrophobicContact CG-CG 4.44Å; F314-M356 HydrophobicContact CG-SD 3.54Å; F314-M356 VanDerWaalsContact CG-SD 3.54Å; F314-M356 HydrophobicContact CZ-CB 3.54Å; F314-M356 VanDerWaalsContact CZ-O 3.26Å; F314-M356 WeakPolarHBondContact CZ-O 3.45Å; C351-M356 HydrophobicContact CB-CB 4.4Å; C351-M356 HydrophobicContact CB-CG 4.23Å; C351-M356 HydrophobicContact CB-SD 3.62Å; C351-M356 VanDerWaalsContact O-CB 3.29Å; C351-M356 WeakPolarHBondContact O-CB 3.45Å; C351-M356 WeakPolarHBondContact O-CG 3.5Å; C351-M356 PolarHBondContact O-N 2.95Å; M356-K358 PolarHBondContact O-N 3.38Å
357	N	95	Very high	87.6	Confident	74 Å²	74	87.1 Å²	87.1	40%	0.396	43%	0.432	S	S	.	.			trans	-73.6	119.1	178.4	-175.6	-12.5	0	0	0	110.5	Y302 F314 G355 D359 A360	Y302-N357 PolarHBondContact O-N 3.5Å; F314-N357 WeakPolarHBondContact CE1-O 3.16Å; G355-N357 PolarHBondContact O-N 2.98Å; N357-D359 VanDerWaalsContact C-N 3.33Å; N357-D359 WeakPolarHBondContact OD1-CB 3.4Å; N357-D359 PolarHBondContact OD1-N 3.39Å; N357-D359 PolarHBondContact OD1-OD2 2.97Å; N357-A360 HydrophobicContact CB-CB 4.2Å
358	K	94.7	Very high	85.6	Confident	107 Å²	107	97.2 Å²	97.2	47%	0.465	47%	0.47	S	S	.	.	S	Bend	trans	-64.8	-37.3	178.7	-56.1	169.7	-169.3	169.1	0	111.6	F314 V318 M356 A360 V361	F314-K358 HydrophobicContact CZ-CB 4.44Å; F314-K358 HydrophobicContact CZ-CG 4.01Å; V318-K358 HydrophobicContact CG1-CB 4.4Å; M356-K358 PolarHBondContact O-N 3.38Å; K358-A360 VanDerWaalsContact C-N 3.3Å; K358-A360 PolarHBondContact O-N 2.84Å; K358-V361 WeakPolarHBondContact O-CB 3.5Å; K358-V361 WeakPolarHBondContact O-CG2 3.44Å; K358-V361 PolarHBondContact O-N 2.85Å
359	D	92.6	Very high	83	Confident	143 Å²	143	106 Å²	106	77%	0.765	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.1	-171	-45.1	-45.2	0	0	0	111.5	N357 V361	N357-D359 VanDerWaalsContact C-N 3.33Å; N357-D359 WeakPolarHBondContact OD1-CB 3.4Å; N357-D359 PolarHBondContact OD1-N 3.39Å; N357-D359 PolarHBondContact OD1-OD2 2.97Å; D359-V361 PolarHBondContact O-N 3.19Å
360	A	91.6	Very high	80.6	Confident	49 Å²	49	104.5 Å²	104.5	41%	0.405	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.5	166.6	0	0	0	0	0	113.1	Y302 N357 K358 Q362	Y302-A360 HydrophobicContact CD1-CB 4.06Å; N357-A360 HydrophobicContact CB-CB 4.2Å; K358-A360 VanDerWaalsContact C-N 3.3Å; K358-A360 PolarHBondContact O-N 2.84Å; A360-Q362 PolarHBondContact O-N 3.31Å; A360-Q362 VanDerWaalsContact O-N 3.15Å
361	V	91.4	Very high	77.9	Confident	10 Å²	10	107.1 Å²	107.1	6%	0.061	54%	0.536	C	S	.	.	S	Bend	trans	-84.3	82.8	172.2	-170.2	0	0	0	0	108.7	Y302 F314 K315 V318 R319 K358 D359	Y302-V361 HydrophobicContact CD1-CG2 3.68Å; Y302-V361 HydrophobicContact CE1-CB 4.4Å; Y302-V361 HydrophobicContact CE1-CG2 3.79Å; Y302-V361 HydrophobicContact CG-CG2 4.21Å; F314-V361 HydrophobicContact CD1-CG2 3.81Å; F314-V361 HydrophobicContact CE1-CG2 3.52Å; K315-V361 HydrophobicContact CG-CG1 4.34Å; V318-V361 HydrophobicContact CB-CB 4.21Å; V318-V361 HydrophobicContact CB-CG1 4.16Å; V318-V361 HydrophobicContact CB-CG2 4.06Å; V318-V361 HydrophobicContact CG1-CB 3.83Å; V318-V361 HydrophobicContact CG1-CG1 4.11Å; V318-V361 HydrophobicContact CG1-CG2 4.02Å; V318-V361 HydrophobicContact CG2-CG2 4.3Å; R319-V361 HydrophobicContact CG-CG1 4.07Å; R319-V361 VanDerWaalsContact NH1-CG1 3.27Å; K358-V361 WeakPolarHBondContact O-CB 3.5Å; K358-V361 WeakPolarHBondContact O-CG2 3.44Å; K358-V361 PolarHBondContact O-N 2.85Å; D359-V361 PolarHBondContact O-N 3.19Å
362	Q	83.4	Confident	75.5	Confident	127 Å²	127	115.5 Å²	115.5	59%	0.593	57%	0.574	S	S	*	*			trans	-43.3	145	168.2	-66.7	180	-11.7	0	0	110.7	R319 A360	R319-Q362 PolarHBondContact NH1-O 2.92Å; R319-Q362 PolarHBondContact NH2-O 2.9Å; A360-Q362 PolarHBondContact O-N 3.31Å; A360-Q362 VanDerWaalsContact O-N 3.15Å
363	N	74.6	Confident	73.2	Confident	136 Å²	136	121.4 Å²	121.4	73%	0.727	60%	0.598	S	S	*	*			trans	-61	174.9	169.8	-75.7	-27.9	0	0	0	111.3	R319 R365	R319-N363 PolarHBondContact NH2-O 3.15Å; N363-R365 PolarHBondContact O-N 3.45Å
364	E	66.8	Low	70.3	Confident	149 Å²	149	117.5 Å²	117.5	70%	0.696	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-61.8	132.2	172.2	-65.3	-171.9	157.8	0	0	109.7	Q366	E364-Q366 PolarHBondContact O-N 3.31Å
365	R	61.9	Low	67.6	Low	179 Å²	179	119.1 Å²	119.1	68%	0.675	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-58	132	162.5	-71.2	-179.5	176.4	177.7	-3.4	105.4	N363	N363-R365 PolarHBondContact O-N 3.45Å
366	Q	55.5	Low	64.9	Low	177 Å²	177	126.9 Å²	126.9	83%	0.827	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-48	135.7	171.3	-65.8	-179.3	4.6	0	0	108.1	E364 R368	E364-Q366 PolarHBondContact O-N 3.31Å; Q366-R368 PolarHBondContact O-N 2.88Å
367	P	58.4	Low	62	Low	119 Å²	119	130.2 Å²	130.2	77%	0.773	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-56	118.7	178.6	23.3	-32.5	0	0	0	107.4	K369	P367-K369 PolarHBondContact O-N 2.87Å
368	R	55.3	Low	59.3	Low	223 Å²	223	134.6 Å²	134.6	84%	0.842	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-51.4	122.6	168	-71.7	178.9	176	168.4	-5.7	105.4	Q366 S370	Q366-R368 PolarHBondContact O-N 2.88Å; R368-S370 VanDerWaalsContact C-N 3.28Å; R368-S370 PolarHBondContact O-N 2.82Å
369	K	44.1	Very low	56.6	Low	207 Å²	207	135.4 Å²	135.4	90%	0.9	73%	0.731	S	S	*	*			trans	-60.1	97.5	174.4	-68.4	-179.8	-179.4	177.3	0	106.8	P367 S371	P367-K369 PolarHBondContact O-N 2.87Å; K369-S371 PolarHBondContact O-N 3.26Å; K369-S371 VanDerWaalsContact O-N 3.12Å
370	S	47	Very low	54.1	Low	89 Å²	89	135.2 Å²	135.2	62%	0.622	74%	0.735	S	S	*	*			trans	-62	115.7	175.1	44.6	0	0	0	0	106.7	R368 H372	R368-S370 VanDerWaalsContact C-N 3.28Å; R368-S370 PolarHBondContact O-N 2.82Å; S370-H372 VanDerWaalsContact C-N 3.27Å; S370-H372 PolarHBondContact O-N 3.47Å
371	S	40.5	Very low	51.5	Low	98 Å²	98	139 Å²	139	69%	0.685	76%	0.756	S	S	*	*			trans	-72.3	78.2	-167.1	50.1	0	0	0	0	111.6	K369 F373	K369-S371 PolarHBondContact O-N 3.26Å; K369-S371 VanDerWaalsContact O-N 3.12Å; S371-F373 PolarHBondContact O-N 3.17Å
372	H	47.1	Very low	49	Very low	175 Å²	175	144.6 Å²	144.6	81%	0.81	80%	0.795	S	S	*	*			trans	-69.2	77.1	163.8	-76.3	-77.7	0	0	0	109.6	S370	S370-H372 VanDerWaalsContact C-N 3.27Å; S370-H372 PolarHBondContact O-N 3.47Å
373	F	48.4	Very low	46.8	Very low	196 Å²	196	147.1 Å²	147.1	86%	0.86	80%	0.804	S	S	*	*			trans	-101.2	86.1	167.7	-79.7	-63.7	0	0	0	110.2	S371	S371-F373 PolarHBondContact O-N 3.17Å
374	A	36.5	Very low	44.9	Very low	95 Å²	95	151.8 Å²	151.8	79%	0.785	81%	0.812	S	S	*	*	S	Bend	trans	-177.6	163	152	0	0	0	0	0	110.2
375	A	40.1	Very low	43.5	Very low	102 Å²	102	152.7 Å²	152.7	84%	0.843	82%	0.816	S	S	*	*			trans	60.8	87	169.1	0	0	0	0	0	116.7
376	Q	41.3	Very low	42	Very low	204 Å²	204	150.1 Å²	150.1	95%	0.953	82%	0.82	S	S	*	*			trans	-45.2	144.9	163.8	-58.8	153.3	-6.6	0	0	113.4
377	G	36.2	Very low	40.9	Very low	75 Å²	75	149.6 Å²	149.6	77%	0.773	82%	0.822	S	S	*	*			trans	-175.2	100.7	172.3	0	0	0	0	0	113.2
378	N	36.9	Very low	39.2	Very low	167 Å²	167	152.5 Å²	152.5	89%	0.893	83%	0.825	S	S	*	*			trans	-78.5	128.8	-173.2	-68.8	-31.1	0	0	0	113.6
379	S	38.3	Very low	38.3	Very low	123 Å²	123	149.6 Å²	149.6	86%	0.86	83%	0.825	S	S	*	*			trans	-170.2	151.3	137.4	33.1	0	0	0	0	111.2
380	T	41.7	Very low	37.5	Very low	139 Å²	139	144 Å²	144	85%	0.853	81%	0.812	S	S	*	*			trans	-103	152.9	-166	42.4	0	0	0	0	114
381	P	36.6	Very low	36.9	Very low	129 Å²	129	148.2 Å²	148.2	84%	0.838	82%	0.822	S	S	*	*			trans	-89.9	170.4	-171.8	36.9	-38	0	0	0	114.2
382	S	38	Very low	36.3	Very low	127 Å²	127	148.6 Å²	148.6	89%	0.888	82%	0.824	S	S	*	*			trans	-134.6	164.4	168.9	-163.1	0	0	0	0	113.2
383	K	36.7	Very low	35.7	Very low	181 Å²	181	145.1 Å²	145.1	79%	0.787	82%	0.817	S	S	*	*			trans	-98.9	148.7	-157.1	-55.1	167.5	-177.7	172.5	0	114.4
384	R	35.4	Very low	34.8	Very low	233 Å²	233	141.8 Å²	141.8	88%	0.879	81%	0.808	S	S	*	*				172.3	115.3	126.7	-90.4	151	-175.3	-176.3	1.5	108.3
385	Q	37.6	Very low	34.7	Very low	168 Å²	168	142.2 Å²	142.2	79%	0.785	80%	0.797	S	S	*	*				65.4	96.8	74.2	-78.2	-174.3	-54.3	0	0	115.2
386	T	29.5	Very low	34.3	Very low	126 Å²	126	145.6 Å²	145.6	77%	0.773	79%	0.793	S	S	*	*			trans	50.8	122.5	130.3	-28.2	0	0	0	0	120.5
387	L	32.8	Very low	33.8	Very low	166 Å²	166	139.9 Å²	139.9	87%	0.869	78%	0.78	S	S	*	*			trans	-160	145.6	138.8	-109.5	161.3	0	0	0	110
388	E	23.7	Very low	33.5	Very low	179 Å²	179	145 Å²	145	84%	0.836	78%	0.782	S	S	*	*			trans	-97.3	130.7	177.8	-58.9	178.7	128.1	0	0	110.1
389	I	36.4	Very low	33.1	Very low	163 Å²	163	143.7 Å²	143.7	84%	0.836	77%	0.773	S	S	*	*			trans	-138.2	138.5	162.8	-58.4	-176.7	0	0	0	109.1
390	S	27.1	Very low	32.7	Very low	90 Å²	90	142.4 Å²	142.4	63%	0.629	76%	0.764	S	S	*	*			trans	-93.3	175.4	-179.3	50.7	0	0	0	0	112.6
391	H	33.4	Very low	32.1	Very low	177 Å²	177	143.9 Å²	143.9	82%	0.819	76%	0.761	S	S	*	*			trans	131.6	145.3	154.2	-70.7	83.9	0	0	0	117.2
392	S	28.3	Very low	31.9	Very low	105 Å²	105	143.6 Å²	143.6	73%	0.734	76%	0.763	S	S	*	*			trans	-54.6	155.8	-174.3	-167.1	0	0	0	0	116.5
393	P	34.3	Very low	31.8	Very low	102 Å²	102	141.4 Å²	141.4	66%	0.662	75%	0.752	S	S	*	*			trans	-88.5	164.1	176	37	-37.8	0	0	0	113.8
394	N	30.6	Very low	31.4	Very low	127 Å²	127	140 Å²	140	68%	0.679	75%	0.753	S	S	*	*			trans	-161.1	162.1	144.5	-122.5	16.3	0	0	0	113.2
395	D	33.8	Very low	31.2	Very low	103 Å²	103	133 Å²	133	55%	0.551	74%	0.74	S	S	*	*			trans	67.3	110.1	149.3	-75.5	-1.3	0	0	0	124.8
396	K	32.6	Very low	30.9	Very low	174 Å²	174	133.3 Å²	133.3	76%	0.757	74%	0.741	S	S	*	*				84.4	121.3	119	-67.5	166.1	-171.7	151.6	0	123.1
397	A	28.8	Very low	31	Very low	83 Å²	83	133.3 Å²	133.3	69%	0.686	74%	0.736	S	S	*	*			trans	83.7	164.4	133.8	0	0	0	0	0	121.1
398	F	31.2	Very low	31	Very low	184 Å²	184	132.4 Å²	132.4	81%	0.807	73%	0.729	S	S	*	*			trans	65.9	111.5	-174.4	-61.5	-85.6	0	0	0	114.8
399	I	29.2	Very low	31.4	Very low	138 Å²	138	129.9 Å²	129.9	71%	0.708	72%	0.721	S	S	*	*			cis	79.9	124.4	35.8	-51.6	170.1	0	0	0	112.9
400	S	29.1	Very low	31.1	Very low	96 Å²	96	127 Å²	127	67%	0.671	71%	0.707	S	S	*	*			trans	57.6	161.6	164.7	66.5	0	0	0	0	118.2
401	E	28.8	Very low	31.3	Very low	170 Å²	170	130.7 Å²	130.7	79%	0.794	71%	0.712	S	S	*	*			cis	-161.3	161.3	-25.4	-111	171.1	127.7	0	0	108.7
402	S	32.4	Very low	31.1	Very low	124 Å²	124	126.1 Å²	126.1	87%	0.867	70%	0.7	S	S	*	*			trans	59.8	175.3	169.4	80.6	0	0	0	0	114.8
403	A	35.9	Very low	31.2	Very low	80 Å²	80	131 Å²	131	66%	0.661	71%	0.708	S	S	*	*			cis	-131.6	149.4	-12.4	0	0	0	0	0	106.6
404	N	28.3	Very low	30.9	Very low	152 Å²	152	129.6 Å²	129.6	81%	0.813	71%	0.713	S	S	*	*				45.3	122.1	75	-91.6	2.1	0	0	0	112.6
405	S	30.5	Very low	30.7	Very low	85 Å²	85	131.7 Å²	131.7	59%	0.594	72%	0.718	S	S	*	*			cis	-165.1	-166.3	11	-73.7	0	0	0	0	110.4
406	Q	33	Very low	30.6	Very low	176 Å²	176	131.8 Å²	131.8	82%	0.822	73%	0.727	S	S	*	*			trans	81.2	146.8	154.4	-57.2	177.4	3.1	0	0	116.9
407	L	31	Very low	30.3	Very low	126 Å²	126	130.7 Å²	130.7	66%	0.66	73%	0.728	S	S	*	*			cis	-144.4	126.4	-1.3	-149.8	95.7	0	0	0	111.4
408	M	33.6	Very low	30.3	Very low	147 Å²	147	131.8 Å²	131.8	72%	0.724	73%	0.731	S	S	*	*			trans	52.8	129.2	134.5	-70.8	176.4	-179.1	0	0	124.1
409	N	30.3	Very low	30	Very low	126 Å²	126	129.8 Å²	129.8	67%	0.674	73%	0.727	S	S	*	*				82.2	153.7	123.4	-70.3	35.2	0	0	0	119.8
410	D	30.8	Very low	29.9	Very low	101 Å²	101	129.2 Å²	129.2	54%	0.54	73%	0.732	S	S	.	*			cis	-157.4	162.8	5	-132.6	-21.8	0	0	0	114.4
411	K	32.2	Very low	29.7	Very low	169 Å²	169	132.8 Å²	132.8	74%	0.735	74%	0.736	S	S	*	*			trans	70.8	153.7	150.3	-71.2	158.1	-174.6	122.1	0	121.5
412	S	28.3	Very low	29.7	Very low	81 Å²	81	131.8 Å²	131.8	57%	0.566	74%	0.736	S	S	*	*			cis	173.5	168.6	-36.3	49.7	0	0	0	0	110.4
413	F	30.6	Very low	29.3	Very low	206 Å²	206	131.1 Å²	131.1	90%	0.904	73%	0.73	S	S	*	*			trans	70.6	149	-178.1	-60.2	-90.9	0	0	0	114.4
414	G	28.2	Very low	28.9	Very low	73 Å²	73	131.3 Å²	131.3	75%	0.753	73%	0.726	S	S	*	*			cis	146.9	150.3	5.8	0	0	0	0	0	107.7
415	E	27.3	Very low	28.8	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	73%	0.726	S	S	*	*			cis	-163.3	-167	6.6	-170.7	167.2	-175.5	0	0	108.4
416	S	30.4	Very low	28.8	Very low	105 Å²	105	136.9 Å²	136.9	73%	0.734	74%	0.742	S	S	*	*			trans	77.4	124.4	176.6	68	0	0	0	0	117.2
417	I	27.2	Very low	28.4	Very low	151 Å²	151	134.2 Å²	134.2	77%	0.774	74%	0.743	S	S	*	*			cis	82.5	125.9	40	-59.6	164.9	0	0	0	110.7
418	S	28.7	Very low	28.3	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	75%	0.753	S	S	*	*			cis	-150.5	165.2	7.1	42.1	0	0	0	0	113.7
419	I	23.9	Very low	27.8	Very low	141 Å²	141	131.8 Å²	131.8	72%	0.723	76%	0.758	S	S	*	*			trans	-87.3	146.7	173.1	-63.2	162.9	0	0	0	110.7	K421	I419-K421 HydrophobicContact CG2-CG 3.97Å
420	P	27	Very low	27.6	Very low	126 Å²	126	130.3 Å²	130.3	82%	0.818	76%	0.758	S	S	*	*				-113.9	150.7	126.4	-12.2	30.5	0	0	0	113.6
421	K	25.5	Very low	27.4	Very low	171 Å²	171	131.8 Å²	131.8	74%	0.743	77%	0.765	S	S	*	*			trans	-98.5	-169.3	168.4	-72	-178.8	176.6	176.4	0	109.4	I419	I419-K421 HydrophobicContact CG2-CG 3.97Å
422	D	28.7	Very low	27	Very low	150 Å²	150	135.2 Å²	135.2	80%	0.802	78%	0.775	S	S	*	*			trans	84.5	136.6	168.8	-47.5	-18.3	0	0	0	114.3
423	C	25	Very low	26.9	Very low	109 Å²	109	137 Å²	137	74%	0.736	78%	0.783	S	S	*	*			cis	-151.8	152.4	-5.3	-134.9	0	0	0	0	114.6
424	S	26.6	Very low	26.6	Very low	84 Å²	84	132.9 Å²	132.9	59%	0.587	78%	0.777	S	S	*	*			trans	30.2	122.3	149.4	63.3	0	0	0	0	122.3
425	N	25.8	Very low	26.5	Very low	151 Å²	151	137.7 Å²	137.7	81%	0.807	78%	0.784	S	S	*	*				54.2	107.5	126.9	-53.6	-11.3	0	0	0	120.3
426	H	31.6	Very low	26.5	Very low	203 Å²	203	133.7 Å²	133.7	94%	0.94	77%	0.769	S	S	*	*			trans	-138.4	125.9	132	-95.2	-72.9	0	0	0	110.5
427	S	23.8	Very low	26.4	Very low	120 Å²	120	136.5 Å²	136.5	84%	0.839	77%	0.77	S	S	*	*			trans	-99.5	128.6	179.3	53.4	0	0	0	0	111.4
428	A	28.6	Very low	26.6	Very low	105 Å²	105	134.7 Å²	134.7	87%	0.868	76%	0.762	S	S	*	*			trans	-140.1	144	163.3	0	0	0	0	0	109
429	S	24	Very low	26.6	Very low	117 Å²	117	134.3 Å²	134.3	82%	0.818	75%	0.752	S	S	*	*			trans	-108.5	-167.4	-171.1	55.6	0	0	0	0	112.2
430	S	26.1	Very low	26.9	Very low	96 Å²	96	131.4 Å²	131.4	67%	0.671	74%	0.737	S	S	*	*			trans	76.4	134.2	169.4	171.9	0	0	0	0	116.2
431	D	25.2	Very low	27.1	Very low	131 Å²	131	128.4 Å²	128.4	70%	0.701	72%	0.719	S	S	*	*			cis	-151.1	146.3	-18.8	-90.7	-42.6	0	0	0	109.4
432	Y	24.2	Very low	27.4	Very low	241 Å²	241	126.4 Å²	126.4	95%	0.945	71%	0.712	S	S	*	*			trans	-123	85.8	168.6	-99.8	-83.9	0	0	0	109.5
433	T	26.3	Very low	27.5	Very low	118 Å²	118	120 Å²	120	72%	0.724	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-74.3	138.7	171	44.5	0	0	0	0	110.6
434	P	24.8	Very low	28.1	Very low	120 Å²	120	117.5 Å²	117.5	78%	0.779	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-68.6	133.6	173.7	28.6	-33.2	0	0	0	109.9	N436	P434-N436 PolarHBondContact O-N 3.11Å
435	L	25.8	Very low	28.6	Very low	174 Å²	174	117 Å²	117	91%	0.911	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-66.4	117.3	176.7	-78.6	168.1	0	0	0	110.3	E437	L435-E437 PolarHBondContact O-N 3.02Å
436	N	27.2	Very low	29.2	Very low	88 Å²	88	112 Å²	112	47%	0.471	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-64.6	120.1	178.2	-177	13.7	0	0	0	110.6	P434 N438 N439	P434-N436 PolarHBondContact O-N 3.11Å; N436-N438 PolarHBondContact O-N 3.39Å; N436-N438 VanDerWaalsContact O-N 3.11Å; N436-N438 PolarHBondContact OD1-N 3.03Å; N436-N438 PolarHBondContact OD1-ND2 3.47Å; N436-N439 PolarHBondContact ND2-OD1 2.72Å; N436-N439 PolarHBondContact O-N 3.13Å
437	E	28.7	Very low	29.9	Very low	164 Å²	164	103.3 Å²	103.3	77%	0.766	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-24.6	-177.4	-62.1	-175.2	139.1	0	0	112.5	L435 N439 L440 S441	L435-E437 PolarHBondContact O-N 3.02Å; E437-N439 VanDerWaalsContact C-N 3.29Å; E437-N439 PolarHBondContact O-N 2.83Å; E437-L440 VanDerWaalsContact O-CB 3.23Å; E437-L440 WeakPolarHBondContact O-CB 3.43Å; E437-L440 PolarHBondContact O-N 2.85Å; E437-S441 PolarHBondContact O-N 3.14Å
438	N	30.3	Very low	30.7	Very low	112 Å²	112	102.4 Å²	102.4	60%	0.599	57%	0.568	S	S	*	*	H	α-helix	trans	-66.1	-25.1	176.4	-61.8	-69	0	0	0	114	N436 L440 S441	N436-N438 PolarHBondContact O-N 3.39Å; N436-N438 VanDerWaalsContact O-N 3.11Å; N436-N438 PolarHBondContact OD1-N 3.03Å; N436-N438 PolarHBondContact OD1-ND2 3.47Å; N438-L440 PolarHBondContact O-N 3.21Å; N438-S441 PolarHBondContact O-OG 3.3Å
439	N	30.4	Very low	31.3	Very low	100 Å²	100	103.9 Å²	103.9	54%	0.535	56%	0.555	S	S	.	*	H	α-helix	trans	-76.4	-12.9	173.6	-64.1	37.2	0	0	0	111.5	N436 E437	N436-N439 PolarHBondContact ND2-OD1 2.72Å; N436-N439 PolarHBondContact O-N 3.13Å; E437-N439 VanDerWaalsContact C-N 3.29Å; E437-N439 PolarHBondContact O-N 2.83Å
440	L	30.4	Very low	31.9	Very low	79 Å²	79	99.7 Å²	99.7	41%	0.414	52%	0.523	S	S	.	.	H	α-helix	trans	-91.8	-31.8	-175.4	-145.2	66.1	0	0	0	111.8	E437 N438 E442 S443 V444 Y1003	E437-L440 VanDerWaalsContact O-CB 3.23Å; E437-L440 WeakPolarHBondContact O-CB 3.43Å; E437-L440 PolarHBondContact O-N 2.85Å; N438-L440 PolarHBondContact O-N 3.21Å; L440-E442 VanDerWaalsContact C-N 3.34Å; L440-S443 WeakPolarHBondContact O-CB 3.44Å; L440-S443 PolarHBondContact O-N 3.46Å; L440-S443 PolarHBondContact O-OG 3.19Å; L440-V444 PolarHBondContact O-N 3.08Å; L440-Y1003 HydrophobicContact CD2-CE1 3.92Å; L440-Y1003 VanDerWaalsContact CD2-OH 3.25Å; L440-Y1003 WeakPolarHBondContact CD2-OH 3.49Å; L440-Y1003 HydrophobicContact CG-CE1 4.39Å
441	S	31.1	Very low	32.7	Very low	63 Å²	63	97.2 Å²	97.2	44%	0.441	50%	0.501	S	S	.	.	H	α-helix	trans	-65.4	-36.4	167.6	51.7	0	0	0	0	111.9	E437 N438 S443 V444 N445	E437-S441 PolarHBondContact O-N 3.14Å; N438-S441 PolarHBondContact O-OG 3.3Å; S441-S443 VanDerWaalsContact C-N 3.29Å; S441-S443 PolarHBondContact O-N 3Å; S441-V444 PolarHBondContact O-N 2.92Å; S441-N445 PolarHBondContact O-N 3.45Å; S441-N445 VanDerWaalsContact O-N 3.13Å
442	E	31.7	Very low	33.4	Very low	130 Å²	130	93.7 Å²	93.7	61%	0.607	49%	0.49	S	S	*	.	H	α-helix	trans	-57.9	-39.5	169.4	-90.2	-165.4	135.3	0	0	112.6	L440 V444 N445 T446	L440-E442 VanDerWaalsContact C-N 3.34Å; E442-V444 VanDerWaalsContact C-N 3.34Å; E442-V444 PolarHBondContact O-N 3.07Å; E442-N445 PolarHBondContact O-N 3.21Å; E442-T446 WeakPolarHBondContact O-CB 3.37Å; E442-T446 PolarHBondContact O-N 3.42Å; E442-T446 PolarHBondContact O-OG1 3.28Å
443	S	30.4	Very low	34.1	Very low	16 Å²	16	87 Å²	87	11%	0.112	47%	0.47	C	S	.	.	H	α-helix	trans	-60.1	-43.5	177.4	77.1	0	0	0	0	112	L440 S441 T446 F447 H908	L440-S443 WeakPolarHBondContact O-CB 3.44Å; L440-S443 PolarHBondContact O-N 3.46Å; L440-S443 PolarHBondContact O-OG 3.19Å; S441-S443 VanDerWaalsContact C-N 3.29Å; S441-S443 PolarHBondContact O-N 3Å; S443-T446 WeakPolarHBondContact O-CB 3.24Å; S443-T446 PolarHBondContact O-N 3.41Å; S443-T446 VanDerWaalsContact O-N 3.11Å; S443-F447 WeakPolarHBondContact O-CD2 3.31Å; S443-F447 WeakPolarHBondContact O-CE2 3.21Å; S443-F447 PolarHBondContact O-N 3.07Å; S443-H908 WeakPolarHBondContact CB-NE2 3.2Å
444	V	37.1	Very low	34.7	Very low	55 Å²	55	82.7 Å²	82.7	33%	0.333	44%	0.442	S	S	.	.	H	α-helix	trans	-60.8	-50.2	177.5	177.5	0	0	0	0	110.8	L440 S441 E442 T446 F447	L440-V444 PolarHBondContact O-N 3.08Å; S441-V444 PolarHBondContact O-N 2.92Å; E442-V444 VanDerWaalsContact C-N 3.34Å; E442-V444 PolarHBondContact O-N 3.07Å; V444-T446 PolarHBondContact O-N 3.34Å; V444-F447 PolarHBondContact O-N 2.98Å; V444-F447 VanDerWaalsContact O-N 3.15Å
445	N	36.7	Very low	35.2	Very low	75 Å²	75	80 Å²	80	40%	0.401	43%	0.426	S	S	.	.	H	α-helix	trans	-66.8	-16.2	177.6	-62.4	-6	0	0	0	113	S441 E442	S441-N445 PolarHBondContact O-N 3.45Å; S441-N445 VanDerWaalsContact O-N 3.13Å; E442-N445 PolarHBondContact O-N 3.21Å
446	T	39.1	Very low	35.8	Very low	45 Å²	45	77.5 Å²	77.5	28%	0.276	41%	0.41	S	S	.	.	H	α-helix	trans	-82.1	-32.6	175.3	-53.1	0	0	0	0	111.4	E442 S443 V444 E448 K449 I450 P907	E442-T446 WeakPolarHBondContact O-CB 3.37Å; E442-T446 PolarHBondContact O-N 3.42Å; E442-T446 PolarHBondContact O-OG1 3.28Å; S443-T446 WeakPolarHBondContact O-CB 3.24Å; S443-T446 PolarHBondContact O-N 3.41Å; S443-T446 VanDerWaalsContact O-N 3.11Å; V444-T446 PolarHBondContact O-N 3.34Å; T446-E448 VanDerWaalsContact C-N 3.34Å; T446-E448 PolarHBondContact O-N 3.03Å; T446-K449 PolarHBondContact O-N 3.25Å; T446-I450 PolarHBondContact O-N 3.2Å; T446-P907 HydrophobicContact CG2-CB 3.81Å; T446-P907 HydrophobicContact CG2-CG 3.57Å
447	F	45.2	Very low	36.1	Very low	21 Å²	21	77.6 Å²	77.6	9%	0.092	40%	0.403	C	S	.	.	H	α-helix	trans	-62.6	-38.7	174.1	-69.1	-71.2	0	0	0	112.3	S443 V444 K449 I450 F451 M984	S443-F447 WeakPolarHBondContact O-CD2 3.31Å; S443-F447 WeakPolarHBondContact O-CE2 3.21Å; S443-F447 PolarHBondContact O-N 3.07Å; V444-F447 PolarHBondContact O-N 2.98Å; V444-F447 VanDerWaalsContact O-N 3.15Å; F447-K449 VanDerWaalsContact C-N 3.27Å; F447-K449 PolarHBondContact O-N 3.21Å; F447-I450 HydrophobicContact CB-CD1 4.36Å; F447-I450 HydrophobicContact CD1-CD1 3.51Å; F447-I450 HydrophobicContact CE1-CD1 4.21Å; F447-I450 HydrophobicContact CG-CD1 4.33Å; F447-I450 WeakPolarHBondContact O-CB 3.27Å; F447-I450 WeakPolarHBondContact O-CG1 3.48Å; F447-I450 PolarHBondContact O-N 2.71Å; F447-F451 HydrophobicContact CB-CE2 4.15Å; F447-F451 HydrophobicContact CB-CZ 4.4Å; F447-F451 VanDerWaalsContact O-CD2 3.29Å; F447-F451 WeakPolarHBondContact O-CD2 3.49Å; F447-F451 WeakPolarHBondContact O-CG 3.41Å; F447-F451 PolarHBondContact O-N 3.4Å; F447-M984 HydrophobicContact CD1-CE 3.96Å; F447-M984 HydrophobicContact CE1-CE 3.49Å; F447-M984 VanDerWaalsContact CE1-CE 3.49Å; F447-M984 HydrophobicContact CZ-CE 4.41Å
448	E	42	Very low	36.3	Very low	101 Å²	101	71.9 Å²	71.9	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-59.3	-36.5	175.1	-61.2	-167.4	143.2	0	0	113	T446 I450 F451 A452	T446-E448 VanDerWaalsContact C-N 3.34Å; T446-E448 PolarHBondContact O-N 3.03Å; E448-I450 VanDerWaalsContact C-N 3.3Å; E448-I450 PolarHBondContact O-N 3.02Å; E448-F451 PolarHBondContact O-N 3.14Å; E448-A452 PolarHBondContact O-N 2.79Å
449	K	41.7	Very low	36.5	Very low	136 Å²	136	72.5 Å²	72.5	59%	0.591	38%	0.377	S	S	*	.	H	α-helix	trans	-67	-29.2	176.4	-64.8	173.1	-175.6	171.2	0	112.6	T446 F447 N453	T446-K449 PolarHBondContact O-N 3.25Å; F447-K449 VanDerWaalsContact C-N 3.27Å; F447-K449 PolarHBondContact O-N 3.21Å; K449-N453 WeakPolarHBondContact O-CB 3.32Å; K449-N453 PolarHBondContact O-N 2.8Å; K449-N453 VanDerWaalsContact O-N 3.08Å; K449-N453 PolarHBondContact O-OD1 3.34Å
450	I	35.8	Very low	36.9	Very low	29 Å²	29	70.8 Å²	70.8	15%	0.149	37%	0.37	C	S	.	.	H	α-helix	trans	-67.1	-47.3	171.8	-40	164.4	0	0	0	109.8	T446 F447 E448 A452 N453 E454 P907	T446-I450 PolarHBondContact O-N 3.2Å; F447-I450 HydrophobicContact CB-CD1 4.36Å; F447-I450 HydrophobicContact CD1-CD1 3.51Å; F447-I450 HydrophobicContact CE1-CD1 4.21Å; F447-I450 HydrophobicContact CG-CD1 4.33Å; F447-I450 WeakPolarHBondContact O-CB 3.27Å; F447-I450 WeakPolarHBondContact O-CG1 3.48Å; F447-I450 PolarHBondContact O-N 2.71Å; E448-I450 VanDerWaalsContact C-N 3.3Å; E448-I450 PolarHBondContact O-N 3.02Å; I450-A452 VanDerWaalsContact C-N 3.26Å; I450-A452 PolarHBondContact O-N 3.13Å; I450-N453 PolarHBondContact O-N 2.67Å; I450-N453 VanDerWaalsContact O-N 3.1Å; I450-E454 PolarHBondContact O-N 2.91Å; I450-P907 HydrophobicContact CD1-CG 3.75Å; I450-P907 HydrophobicContact CG1-CG 3.87Å
451	F	43.7	Very low	37.1	Very low	44 Å²	44	69.5 Å²	69.5	19%	0.193	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-33.3	-177.3	-54.9	-39.5	0	0	0	111.5	F447 E448 N980 L981	F447-F451 HydrophobicContact CB-CE2 4.15Å; F447-F451 HydrophobicContact CB-CZ 4.4Å; F447-F451 VanDerWaalsContact O-CD2 3.29Å; F447-F451 WeakPolarHBondContact O-CD2 3.49Å; F447-F451 WeakPolarHBondContact O-CG 3.41Å; F447-F451 PolarHBondContact O-N 3.4Å; E448-F451 PolarHBondContact O-N 3.14Å; F451-N980 HydrophobicContact CD1-CB 4.11Å; F451-N980 HydrophobicContact CE1-CB 3.86Å; F451-L981 HydrophobicContact CZ-CD2 4.1Å; F451-L981 HydrophobicContact CZ-CG 4.48Å
452	A	39.3	Very low	37.2	Very low	57 Å²	57	74 Å²	74	47%	0.471	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-52.1	167.6	0	0	0	0	0	112.2	E448 I450 E454 S455	E448-A452 PolarHBondContact O-N 2.79Å; I450-A452 VanDerWaalsContact C-N 3.26Å; I450-A452 PolarHBondContact O-N 3.13Å; A452-E454 VanDerWaalsContact C-N 3.33Å; A452-E454 PolarHBondContact O-N 3.47Å; A452-S455 WeakPolarHBondContact O-CB 3.18Å; A452-S455 PolarHBondContact O-N 3.06Å; A452-S455 VanDerWaalsContact O-N 3.08Å; A452-S455 PolarHBondContact O-OG 3.23Å
453	N	38.3	Very low	37.3	Very low	101 Å²	101	73.6 Å²	73.6	54%	0.54	37%	0.37	S	S	.	.	H	α-helix	trans	-63.5	-31.2	-175.9	-74.3	0.1	0	0	0	113.9	K449 I450 S455 E456 W457	K449-N453 WeakPolarHBondContact O-CB 3.32Å; K449-N453 PolarHBondContact O-N 2.8Å; K449-N453 VanDerWaalsContact O-N 3.08Å; K449-N453 PolarHBondContact O-OD1 3.34Å; I450-N453 PolarHBondContact O-N 2.67Å; I450-N453 VanDerWaalsContact O-N 3.1Å; N453-S455 PolarHBondContact O-N 3.2Å; N453-E456 PolarHBondContact O-N 3.12Å; N453-W457 PolarHBondContact O-N 3.45Å
454	E	40	Very low	37.4	Very low	26 Å²	26	80.5 Å²	80.5	12%	0.121	39%	0.394	C	S	.	.	H	α-helix	trans	-61.8	-32.2	174.4	-104.2	-156.5	-166.2	0	0	112.4	I450 A452 E456 W457 I458 W902 N980	I450-E454 PolarHBondContact O-N 2.91Å; A452-E454 VanDerWaalsContact C-N 3.33Å; A452-E454 PolarHBondContact O-N 3.47Å; E454-E456 VanDerWaalsContact C-N 3.35Å; E454-E456 PolarHBondContact O-N 2.93Å; E454-W457 PolarHBondContact O-N 2.78Å; E454-I458 VanDerWaalsContact O-CG1 3.3Å; E454-I458 WeakPolarHBondContact O-CG1 3.41Å; E454-I458 PolarHBondContact O-N 3.09Å; E454-W902 PolarHBondContact OE1-NE1 2.84Å; E454-N980 VanDerWaalsContact CD-ND2 3.29Å; E454-N980 PolarHBondContact OE2-ND2 2.76Å; E454-N980 PolarHBondContact OE2-OD1 2.96Å
455	S	35.6	Very low	37.2	Very low	63 Å²	63	84 Å²	84	44%	0.441	41%	0.407	S	S	.	.	H	α-helix	trans	-67.1	-35.9	177.7	77.9	0	0	0	0	112.4	A452 N453 Q459	A452-S455 WeakPolarHBondContact O-CB 3.18Å; A452-S455 PolarHBondContact O-N 3.06Å; A452-S455 VanDerWaalsContact O-N 3.08Å; A452-S455 PolarHBondContact O-OG 3.23Å; N453-S455 PolarHBondContact O-N 3.2Å; S455-Q459 WeakPolarHBondContact O-CG 3.36Å; S455-Q459 PolarHBondContact O-N 3.11Å; S455-Q459 PolarHBondContact O-NE2 3.17Å
456	E	36.4	Very low	37	Very low	123 Å²	123	85 Å²	85	58%	0.575	41%	0.413	S	S	*	.	H	α-helix	trans	-74.8	-35.9	173.7	-170.2	177.8	-146.4	0	0	111.4	N453 E454 Q459 T460	N453-E456 PolarHBondContact O-N 3.12Å; E454-E456 VanDerWaalsContact C-N 3.35Å; E454-E456 PolarHBondContact O-N 2.93Å; E456-Q459 PolarHBondContact O-N 3Å; E456-T460 WeakPolarHBondContact O-CG2 3.47Å; E456-T460 PolarHBondContact O-N 2.8Å; E456-T460 PolarHBondContact O-OG1 3.34Å
457	W	34.4	Very low	36.7	Very low	89 Å²	89	84.5 Å²	84.5	34%	0.337	41%	0.411	S	S	.	.	H	α-helix	trans	-61.1	-45.8	171.9	-170.8	88.8	0	0	0	111.4	N453 E454 Q459 T460 H461 K898	N453-W457 PolarHBondContact O-N 3.45Å; E454-W457 PolarHBondContact O-N 2.78Å; W457-Q459 VanDerWaalsContact C-N 3.3Å; W457-Q459 PolarHBondContact O-N 2.9Å; W457-T460 WeakPolarHBondContact CA-OG1 3.41Å; W457-T460 PolarHBondContact O-N 2.84Å; W457-T460 PolarHBondContact O-OG1 3.28Å; W457-T460 VanDerWaalsContact O-OG1 3.1Å; W457-H461 HydrophobicContact CD2-CB 4.5Å; W457-H461 AromaticContact CE2-CD2 3.68Å; W457-H461 HydrophobicContact CE3-CB 4.4Å; W457-H461 HydrophobicContact CH2-CB 4.39Å; W457-H461 AromaticContact CH2-CG 3.95Å; W457-H461 HydrophobicContact CZ2-CB 4.48Å; W457-H461 AromaticContact CZ2-CD2 3.51Å; W457-H461 AromaticContact CZ2-CG 3.83Å; W457-H461 AromaticContact CZ2-NE2 3.82Å; W457-H461 HydrophobicContact CZ3-CB 4.34Å; W457-H461 AromaticContact NE1-CD2 3.98Å; W457-H461 WeakPolarHBondContact O-CB 3.31Å; W457-H461 PolarHBondContact O-N 3.33Å; W457-K898 HydrophobicContact CH2-CD 4.43Å; W457-K898 HydrophobicContact CH2-CG 4.13Å
458	I	33.6	Very low	36.1	Very low	45 Å²	45	89.7 Å²	89.7	23%	0.231	44%	0.435	C	S	.	.	H	α-helix	trans	-60.5	-39.9	177	-70.8	165.5	0	0	0	111.2	E454 R462	E454-I458 VanDerWaalsContact O-CG1 3.3Å; E454-I458 WeakPolarHBondContact O-CG1 3.41Å; E454-I458 PolarHBondContact O-N 3.09Å; I458-R462 WeakPolarHBondContact O-CB 3.41Å; I458-R462 VanDerWaalsContact O-CG 3.26Å; I458-R462 WeakPolarHBondContact O-CG 3.17Å; I458-R462 PolarHBondContact O-N 3.25Å
459	Q	34.7	Very low	35.6	Very low	124 Å²	124	89.7 Å²	89.7	58%	0.579	44%	0.442	S	S	*	.	H	α-helix	trans	-66.6	-48.4	176.4	-69.8	175.4	49.9	0	0	112	S455 E456 W457 H461 R462 L463	S455-Q459 WeakPolarHBondContact O-CG 3.36Å; S455-Q459 PolarHBondContact O-N 3.11Å; S455-Q459 PolarHBondContact O-NE2 3.17Å; E456-Q459 PolarHBondContact O-N 3Å; W457-Q459 VanDerWaalsContact C-N 3.3Å; W457-Q459 PolarHBondContact O-N 2.9Å; Q459-H461 PolarHBondContact O-N 3.31Å; Q459-R462 PolarHBondContact O-N 3.13Å; Q459-L463 WeakPolarHBondContact O-CG 3.25Å; Q459-L463 PolarHBondContact O-N 2.94Å
460	T	38.7	Very low	35.1	Very low	64 Å²	64	88 Å²	88	39%	0.393	44%	0.439	S	S	.	.	H	α-helix	trans	-68.2	-31.7	179	54.2	0	0	0	0	112.9	E456 W457 L463 R464	E456-T460 WeakPolarHBondContact O-CG2 3.47Å; E456-T460 PolarHBondContact O-N 2.8Å; E456-T460 PolarHBondContact O-OG1 3.34Å; W457-T460 WeakPolarHBondContact CA-OG1 3.41Å; W457-T460 PolarHBondContact O-N 2.84Å; W457-T460 PolarHBondContact O-OG1 3.28Å; W457-T460 VanDerWaalsContact O-OG1 3.1Å; T460-L463 PolarHBondContact O-N 3.02Å; T460-R464 WeakPolarHBondContact O-CG 3.24Å; T460-R464 PolarHBondContact O-N 3.48Å
461	H	34.6	Very low	35	Very low	53 Å²	53	93.5 Å²	93.5	25%	0.245	46%	0.462	C	S	.	.	H	α-helix	trans	-74.9	-36.2	174.6	-124.6	-97.9	0	0	0	113	W457 Q459 L463 R464 Q465	W457-H461 HydrophobicContact CD2-CB 4.5Å; W457-H461 AromaticContact CE2-CD2 3.68Å; W457-H461 HydrophobicContact CE3-CB 4.4Å; W457-H461 HydrophobicContact CH2-CB 4.39Å; W457-H461 AromaticContact CH2-CG 3.95Å; W457-H461 HydrophobicContact CZ2-CB 4.48Å; W457-H461 AromaticContact CZ2-CD2 3.51Å; W457-H461 AromaticContact CZ2-CG 3.83Å; W457-H461 AromaticContact CZ2-NE2 3.82Å; W457-H461 HydrophobicContact CZ3-CB 4.34Å; W457-H461 AromaticContact NE1-CD2 3.98Å; W457-H461 WeakPolarHBondContact O-CB 3.31Å; W457-H461 PolarHBondContact O-N 3.33Å; Q459-H461 PolarHBondContact O-N 3.31Å; H461-L463 VanDerWaalsContact C-N 3.33Å; H461-R464 PolarHBondContact O-N 2.96Å; H461-Q465 PolarHBondContact O-N 2.9Å
462	R	32.3	Very low	34.2	Very low	156 Å²	156	101 Å²	101	59%	0.589	49%	0.489	S	S	*	.	H	α-helix	trans	-58.7	-45	168.4	-77.9	174.8	-179.7	-171.4	2	111.1	I458 Q459 N466	I458-R462 WeakPolarHBondContact O-CB 3.41Å; I458-R462 VanDerWaalsContact O-CG 3.26Å; I458-R462 WeakPolarHBondContact O-CG 3.17Å; I458-R462 PolarHBondContact O-N 3.25Å; Q459-R462 PolarHBondContact O-N 3.13Å; R462-N466 WeakPolarHBondContact O-CB 3.2Å; R462-N466 PolarHBondContact O-N 3.48Å; R462-N466 PolarHBondContact O-ND2 2.89Å
463	L	33.9	Very low	33.8	Very low	122 Å²	122	101.1 Å²	101.1	64%	0.639	49%	0.485	S	S	*	.	H	α-helix	trans	-61.3	-42.6	174.5	-72.2	167.5	0	0	0	112.1	Q459 T460 H461 S467	Q459-L463 WeakPolarHBondContact O-CG 3.25Å; Q459-L463 PolarHBondContact O-N 2.94Å; T460-L463 PolarHBondContact O-N 3.02Å; H461-L463 VanDerWaalsContact C-N 3.33Å; L463-S467 WeakPolarHBondContact O-CB 3.43Å; L463-S467 PolarHBondContact O-N 3.46Å
464	R	33.3	Very low	33.3	Very low	161 Å²	161	101.3 Å²	101.3	61%	0.608	49%	0.487	S	S	*	.	H	α-helix	trans	-64.6	-50.3	176.2	-78.4	-177.9	177	-179	1.9	112.8	T460 H461 N466 S467 H468	T460-R464 WeakPolarHBondContact O-CG 3.24Å; T460-R464 PolarHBondContact O-N 3.48Å; H461-R464 PolarHBondContact O-N 2.96Å; R464-N466 PolarHBondContact O-N 3.25Å; R464-S467 WeakPolarHBondContact O-CA 3.49Å; R464-S467 WeakPolarHBondContact O-CB 3.42Å; R464-S467 PolarHBondContact O-N 2.87Å; R464-S467 VanDerWaalsContact O-N 3.07Å; R464-S467 PolarHBondContact O-OG 3.27Å; R464-H468 PolarHBondContact O-CD2 3.4Å; R464-H468 PolarHBondContact O-N 3.31Å
465	Q	32.9	Very low	32.8	Very low	128 Å²	128	104.2 Å²	104.2	60%	0.598	51%	0.51	S	S	*	.	H	α-helix	trans	-60	-46.9	179.3	-75.1	-174.7	-11.9	0	0	111.5	H461 S467 H468 V469	H461-Q465 PolarHBondContact O-N 2.9Å; Q465-S467 VanDerWaalsContact C-N 3.29Å; Q465-S467 PolarHBondContact O-N 3.28Å; Q465-H468 PolarHBondContact O-N 3.4Å; Q465-H468 VanDerWaalsContact O-N 3.11Å; Q465-V469 PolarHBondContact O-N 2.96Å; Q465-V469 VanDerWaalsContact O-N 3.09Å
466	N	31.3	Very low	32.5	Very low	98 Å²	98	108.2 Å²	108.2	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-58.4	-40.6	173.2	-74	-20.1	0	0	0	111.6	R462 R464 H468 V469 L470	R462-N466 WeakPolarHBondContact O-CB 3.2Å; R462-N466 PolarHBondContact O-N 3.48Å; R462-N466 PolarHBondContact O-ND2 2.89Å; R464-N466 PolarHBondContact O-N 3.25Å; N466-H468 VanDerWaalsContact C-N 3.34Å; N466-H468 PolarHBondContact O-N 3.16Å; N466-V469 PolarHBondContact O-N 3.39Å; N466-L470 VanDerWaalsContact O-CB 3.3Å; N466-L470 WeakPolarHBondContact O-CB 3.26Å; N466-L470 WeakPolarHBondContact O-CG 3.48Å; N466-L470 PolarHBondContact O-N 3.03Å
467	S	33.5	Very low	32.2	Very low	34 Å²	34	110 Å²	110	24%	0.238	53%	0.534	C	S	.	.	H	α-helix	trans	-65.1	-32.3	176.6	86.2	0	0	0	0	113.6	L463 R464 Q465 K471	L463-S467 WeakPolarHBondContact O-CB 3.43Å; L463-S467 PolarHBondContact O-N 3.46Å; R464-S467 WeakPolarHBondContact O-CA 3.49Å; R464-S467 WeakPolarHBondContact O-CB 3.42Å; R464-S467 PolarHBondContact O-N 2.87Å; R464-S467 VanDerWaalsContact O-N 3.07Å; R464-S467 PolarHBondContact O-OG 3.27Å; Q465-S467 VanDerWaalsContact C-N 3.29Å; Q465-S467 PolarHBondContact O-N 3.28Å; S467-K471 WeakPolarHBondContact O-CB 3.48Å; S467-K471 WeakPolarHBondContact O-CD 3.39Å; S467-K471 WeakPolarHBondContact O-CG 3.39Å; S467-K471 PolarHBondContact O-N 3.17Å
468	H	32.2	Very low	31.9	Very low	129 Å²	129	114.3 Å²	114.3	60%	0.597	56%	0.557	S	S	*	*	H	α-helix	trans	-76.7	-32	177.6	-86.5	-94.3	0	0	0	112.6	R464 Q465 N466 R472	R464-H468 PolarHBondContact O-CD2 3.4Å; R464-H468 PolarHBondContact O-N 3.31Å; Q465-H468 PolarHBondContact O-N 3.4Å; Q465-H468 VanDerWaalsContact O-N 3.11Å; N466-H468 VanDerWaalsContact C-N 3.34Å; N466-H468 PolarHBondContact O-N 3.16Å; H468-R472 PolarHBondContact O-N 3.14Å
469	V	32.4	Very low	31.6	Very low	102 Å²	102	123.4 Å²	123.4	62%	0.618	59%	0.588	S	S	*	*	H	α-helix	trans	-68.7	-48.6	169.5	177.5	0	0	0	0	110.3	Q465 N466 K471 R472 S473	Q465-V469 PolarHBondContact O-N 2.96Å; Q465-V469 VanDerWaalsContact O-N 3.09Å; N466-V469 PolarHBondContact O-N 3.39Å; V469-K471 PolarHBondContact O-N 3.1Å; V469-R472 PolarHBondContact O-N 3.01Å; V469-S473 PolarHBondContact O-N 3.05Å; V469-S473 PolarHBondContact O-OG 3.39Å
470	L	30.4	Very low	31.2	Very low	101 Å²	101	128.3 Å²	128.3	53%	0.529	60%	0.601	S	S	.	*	H	α-helix	trans	-67.1	-29.7	179.6	-79.6	159.7	0	0	0	114	N466 S473 N474	N466-L470 VanDerWaalsContact O-CB 3.3Å; N466-L470 WeakPolarHBondContact O-CB 3.26Å; N466-L470 WeakPolarHBondContact O-CG 3.48Å; N466-L470 PolarHBondContact O-N 3.03Å; L470-S473 WeakPolarHBondContact CA-OG 3.38Å; L470-S473 PolarHBondContact O-OG 3.26Å; L470-N474 WeakPolarHBondContact O-CB 3.33Å; L470-N474 PolarHBondContact O-N 3.16Å; L470-N474 PolarHBondContact O-ND2 2.86Å
471	K	32.8	Very low	30.6	Very low	144 Å²	144	133.2 Å²	133.2	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-76.6	-27.5	174.3	-75.1	167.9	-177.7	171.1	0	112.8	S467 V469 S475	S467-K471 WeakPolarHBondContact O-CB 3.48Å; S467-K471 WeakPolarHBondContact O-CD 3.39Å; S467-K471 WeakPolarHBondContact O-CG 3.39Å; S467-K471 PolarHBondContact O-N 3.17Å; V469-K471 PolarHBondContact O-N 3.1Å; K471-S475 WeakPolarHBondContact O-CB 3.39Å; K471-S475 PolarHBondContact O-N 2.72Å; K471-S475 PolarHBondContact O-OG 3.28Å; K471-S475 VanDerWaalsContact O-OG 3.1Å
472	R	28.4	Very low	30.2	Very low	202 Å²	202	135.5 Å²	135.5	76%	0.762	65%	0.646	S	S	*	*	H	α-helix	trans	-81.7	-32.9	174.2	-85	-177.4	164.5	164.7	-3.3	113.6	H468 V469 S475	H468-R472 PolarHBondContact O-N 3.14Å; V469-R472 PolarHBondContact O-N 3.01Å; R472-S475 PolarHBondContact O-OG 2.96Å
473	S	29.7	Very low	29.9	Very low	58 Å²	58	135.8 Å²	135.8	41%	0.406	66%	0.66	S	S	.	*	H	α-helix	trans	-68.9	-45.9	172.6	58.9	0	0	0	0	112.1	V469 L470 S475 L476	V469-S473 PolarHBondContact O-N 3.05Å; V469-S473 PolarHBondContact O-OG 3.39Å; L470-S473 WeakPolarHBondContact CA-OG 3.38Å; L470-S473 PolarHBondContact O-OG 3.26Å; S473-S475 VanDerWaalsContact C-N 3.31Å; S473-S475 PolarHBondContact O-N 3.22Å; S473-L476 PolarHBondContact O-N 3.03Å
474	N	27.8	Very low	29.6	Very low	106 Å²	106	141.8 Å²	141.8	57%	0.567	67%	0.674	S	S	*	*	H	α-helix	trans	-70.7	-19.5	-178.8	-74.6	-59.6	0	0	0	114.5	L470	L470-N474 WeakPolarHBondContact O-CB 3.33Å; L470-N474 PolarHBondContact O-N 3.16Å; L470-N474 PolarHBondContact O-ND2 2.86Å
475	S	31	Very low	29.2	Very low	86 Å²	86	143 Å²	143	60%	0.601	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-11.9	175.4	58.7	0	0	0	0	114.9	K471 R472 S473	K471-S475 WeakPolarHBondContact O-CB 3.39Å; K471-S475 PolarHBondContact O-N 2.72Å; K471-S475 PolarHBondContact O-OG 3.28Å; K471-S475 VanDerWaalsContact O-OG 3.1Å; R472-S475 PolarHBondContact O-OG 2.96Å; S473-S475 VanDerWaalsContact C-N 3.31Å; S473-S475 PolarHBondContact O-N 3.22Å
476	L	28.1	Very low	28.9	Very low	147 Å²	147	145.4 Å²	145.4	77%	0.77	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-17.6	-178.5	-86.7	162.8	0	0	0	114.1	S473	S473-L476 PolarHBondContact O-N 3.03Å
477	H	29.6	Very low	28.6	Very low	162 Å²	162	146.5 Å²	146.5	75%	0.75	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-8.8	-177.1	-120.7	-66.9	0	0	0	115.5
478	H	28.8	Very low	28.3	Very low	179 Å²	179	151.2 Å²	151.2	83%	0.829	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	11.7	-171.1	-108.7	-63.1	0	0	0	115.9
479	R	28.1	Very low	27.9	Very low	235 Å²	235	153.5 Å²	153.5	89%	0.887	73%	0.729	S	S	*	*	S	Bend	trans	-121.2	11.9	-173	-140.8	177.3	-172.3	-175.4	2.2	116.1
480	R	25.1	Very low	27.6	Very low	227 Å²	227	156.2 Å²	156.2	86%	0.857	74%	0.738	S	S	*	*	S	Bend	trans	-142.4	155	171.6	-67.3	-177.1	174.5	159.6	-2.1	108.6
481	L	26.9	Very low	27.4	Very low	167 Å²	167	154.6 Å²	154.6	87%	0.874	75%	0.746	S	S	*	*	S	Bend	trans	69.5	90.3	-166.1	-49	177.5	0	0	0	111.7
482	S	26.6	Very low	27.1	Very low	101 Å²	101	152.1 Å²	152.1	71%	0.706	75%	0.752	S	S	*	*				94.6	95.9	83.2	63.9	0	0	0	0	111.6	R484	S482-R484 PolarHBondContact O-N 3.39Å
483	N	24.4	Very low	27	Very low	162 Å²	162	151.8 Å²	151.8	87%	0.866	76%	0.757	S	S	*	*				38.5	73.6	84	-86.1	-10.9	0	0	0	114.7
484	R	27.5	Very low	26.9	Very low	249 Å²	249	156.1 Å²	156.1	94%	0.94	78%	0.775	S	S	*	*				-171.4	143.8	127.5	-98.6	151.9	-168.3	-164.2	2.8	111.8	S482	S482-R484 PolarHBondContact O-N 3.39Å
485	K	25.1	Very low	26.9	Very low	187 Å²	187	157.7 Å²	157.7	81%	0.813	78%	0.779	S	S	*	*			trans	-86	147.2	167.4	-57.6	172.1	-178.8	177.6	0	108.5
486	F	27.2	Very low	26.7	Very low	178 Å²	178	159.3 Å²	159.3	78%	0.781	79%	0.788	S	S	*	*				160	117.7	121	-98.8	-83.7	0	0	0	113.8
487	N	26	Very low	26.5	Very low	121 Å²	121	159.1 Å²	159.1	65%	0.647	78%	0.781	S	S	*	*			trans	43.7	119.8	138.6	-63.8	7.9	0	0	0	123.5
488	N	25.4	Very low	26.4	Very low	133 Å²	133	161.3 Å²	161.3	71%	0.711	79%	0.789	S	S	*	*				76	116.2	122.2	-69.6	-14.4	0	0	0	122.4
489	K	25.7	Very low	26.2	Very low	176 Å²	176	159.8 Å²	159.8	77%	0.765	79%	0.785	S	S	*	*				135.3	128.3	95.5	-106	-179.2	170.6	-170.9	0	116.6
490	I	25.3	Very low	26.3	Very low	159 Å²	159	155.2 Å²	155.2	82%	0.815	78%	0.778	S	S	*	*			trans	83	136.2	144	-63.9	162.3	0	0	0	119.9
491	G	25.8	Very low	26.3	Very low	68 Å²	68	150.5 Å²	150.5	70%	0.701	78%	0.775	S	S	*	*			trans	92.9	81.4	164.4	0	0	0	0	0	115.1
492	A	26.2	Very low	26.1	Very low	91 Å²	91	147.9 Å²	147.9	75%	0.752	77%	0.766	S	S	*	*			cis	78.6	98.8	34.7	0	0	0	0	0	115.5
493	F	26.3	Very low	26	Very low	195 Å²	195	151.6 Å²	151.6	86%	0.855	77%	0.769	S	S	*	*			trans	-156.4	113.9	142.9	-113.7	-73	0	0	0	112.1
494	N	28.4	Very low	25.9	Very low	149 Å²	149	151.1 Å²	151.1	80%	0.797	77%	0.766	S	S	*	*			trans	58.4	121.1	159.7	-61.2	-0	0	0	0	123.6
495	E	27.4	Very low	25.8	Very low	139 Å²	139	147.1 Å²	147.1	65%	0.65	76%	0.758	S	S	*	*			trans	-91.8	-172.5	172.8	-103.7	178.4	143.6	0	0	111.4	K497	E495-K497 HydrophobicContact CG-CG 4.1Å; E495-K497 VanDerWaalsContact OE1-CE 3.29Å; E495-K497 WeakPolarHBondContact OE1-CE 3.34Å; E495-K497 WeakPolarHBondContact OE1-CG 3.28Å; E495-K497 IonicContact OE1-NZ 3.53Å; E495-K497 PolarHBondContact OE1-NZ 3.43Å; E495-K497 IonicContact OE2-NZ 3.63Å; E495-K497 PolarHBondContact OE2-NZ 3.09Å
496	P	26.5	Very low	25.8	Very low	121 Å²	121	145.8 Å²	145.8	79%	0.786	75%	0.754	S	S	*	*			cis	-125.6	138.1	21.4	15.8	10.9	0	0	0	116.3
497	K	24.5	Very low	25.8	Very low	142 Å²	142	147.8 Å²	147.8	62%	0.617	76%	0.758	S	S	*	*				92.4	111.8	72.4	-81.5	-170.2	156.3	81.4	0	114.5	E495	E495-K497 HydrophobicContact CG-CG 4.1Å; E495-K497 VanDerWaalsContact OE1-CE 3.29Å; E495-K497 WeakPolarHBondContact OE1-CE 3.34Å; E495-K497 WeakPolarHBondContact OE1-CG 3.28Å; E495-K497 IonicContact OE1-NZ 3.53Å; E495-K497 PolarHBondContact OE1-NZ 3.43Å; E495-K497 IonicContact OE2-NZ 3.63Å; E495-K497 PolarHBondContact OE2-NZ 3.09Å
498	F	26.6	Very low	25.8	Very low	209 Å²	209	148.9 Å²	148.9	92%	0.917	76%	0.763	S	S	*	*			trans	-74.3	149.9	151.5	-91.9	-106.3	0	0	0	110.3
499	I	26	Very low	25.8	Very low	146 Å²	146	150.5 Å²	150.5	75%	0.749	77%	0.77	S	S	*	*			trans	-137.2	135.2	154.6	-63	-175.6	0	0	0	108.6
500	D	29.3	Very low	25.8	Very low	140 Å²	140	145 Å²	145	75%	0.749	76%	0.763	S	S	*	*			trans	-114.4	131.8	171.8	163.3	35.2	0	0	0	108.7
501	T	25.1	Very low	25.9	Very low	128 Å²	128	144.6 Å²	144.6	79%	0.785	76%	0.762	S	S	*	*			trans	-151.1	140.8	163.7	36.5	0	0	0	0	111.9
502	T	23.6	Very low	25.9	Very low	111 Å²	111	148 Å²	148	68%	0.681	76%	0.764	S	S	*	*			trans	-100.2	160.9	176.1	54.4	0	0	0	0	112.4
503	K	23.2	Very low	25.8	Very low	180 Å²	180	151.3 Å²	151.3	78%	0.783	77%	0.769	S	S	*	*			trans	87.7	137.5	159.8	-58.6	174.6	179.1	174.2	0	119.8
504	L	22.5	Very low	26.4	Very low	151 Å²	151	147.6 Å²	147.6	79%	0.791	76%	0.764	S	S	*	*			trans	69.2	143.9	156.2	-62.1	155.1	0	0	0	115.6
505	H	26.2	Very low	26.2	Very low	165 Å²	165	148.4 Å²	148.4	76%	0.764	77%	0.767	S	S	*	*			cis	-150.5	167.8	28.5	-139.5	-84.7	0	0	0	112.7
506	H	25.5	Very low	26	Very low	160 Å²	160	146.8 Å²	146.8	74%	0.741	77%	0.77	S	S	*	*			trans	-68.8	156.6	171	-75.9	-76	0	0	0	113.8
507	Y	26.9	Very low	25.9	Very low	220 Å²	220	149.5 Å²	149.5	86%	0.863	77%	0.77	S	S	*	*				-151.2	171.2	119.5	-121.2	-86	0	0	0	112
508	L	25.6	Very low	26	Very low	144 Å²	144	147.7 Å²	147.7	75%	0.754	77%	0.771	S	S	*	*			trans	-126.1	-179.1	-168.5	-79.6	163.2	0	0	0	112.3
509	I	26.1	Very low	26	Very low	167 Å²	167	144.3 Å²	144.3	86%	0.856	76%	0.762	S	S	*	*			trans	85.1	134.8	168.2	-47.7	154.6	0	0	0	113.9
510	G	25.5	Very low	26.1	Very low	59 Å²	59	142.3 Å²	142.3	61%	0.608	76%	0.757	S	S	*	*			cis	169.6	140.9	-9.6	0	0	0	0	0	114.4
511	D	25.9	Very low	26.1	Very low	151 Å²	151	143 Å²	143	81%	0.807	76%	0.756	S	S	*	*			trans	46.1	146.7	152.9	-49	-20.4	0	0	0	125.5
512	N	26	Very low	26.2	Very low	139 Å²	139	143.4 Å²	143.4	74%	0.743	75%	0.749	S	S	*	*			trans	87.9	96.8	147.5	-64.1	-40.7	0	0	0	123.8
513	L	25.5	Very low	26.4	Very low	162 Å²	162	144 Å²	144	85%	0.848	75%	0.748	S	S	*	*			trans	61.5	156.2	130.4	-88.6	79.6	0	0	0	123.5
514	P	38.2	Very low	26.6	Very low	116 Å²	116	140.8 Å²	140.8	75%	0.753	74%	0.743	S	S	*	*			trans	-115.6	175.2	-168.3	43.9	-34.5	0	0	0	115.7
515	L	24.1	Very low	26.8	Very low	166 Å²	166	141.2 Å²	141.2	87%	0.869	75%	0.745	S	S	*	*			trans	-159.1	166.7	153.5	-109.9	169.4	0	0	0	111.8
516	C	24.2	Very low	26.8	Very low	106 Å²	106	138.2 Å²	138.2	72%	0.716	74%	0.742	S	S	*	*			trans	-105.8	169.6	-166.8	-56.1	0	0	0	0	114.8
517	F	23.8	Very low	26.9	Very low	178 Å²	178	135.5 Å²	135.5	78%	0.781	74%	0.742	S	S	*	*				159.1	115.7	116.8	-96.1	-84.1	0	0	0	117.5
518	T	26.8	Very low	26.9	Very low	103 Å²	103	130.7 Å²	130.7	63%	0.632	74%	0.735	S	S	*	*			trans	65.3	139.7	136.1	47.4	0	0	0	0	128.1
519	N	26.3	Very low	27	Very low	138 Å²	138	129.5 Å²	129.5	74%	0.738	73%	0.734	S	S	*	*			trans	81	149.7	133.9	-71.7	7.5	0	0	0	122.2
520	T	27.7	Very low	27.1	Very low	104 Å²	104	126.9 Å²	126.9	64%	0.638	72%	0.718	S	S	*	*			cis	-172.1	162.7	-8.3	22.4	0	0	0	0	114.8
521	Q	29.2	Very low	27.3	Very low	155 Å²	155	129.8 Å²	129.8	72%	0.724	72%	0.72	S	S	*	*			trans	72.6	155.6	149	-73.6	173.9	-2.6	0	0	120.5
522	Q	28.4	Very low	27.5	Very low	137 Å²	137	126.5 Å²	126.5	64%	0.64	71%	0.709	S	S	*	*			cis	-168.9	159.3	-9.7	-118.1	172.4	0.8	0	0	116.4
523	N	27.3	Very low	27.7	Very low	123 Å²	123	126 Å²	126	66%	0.658	71%	0.706	S	S	*	*			trans	67	155.8	141.6	-67.9	-7.7	0	0	0	124.6
524	T	26.5	Very low	27.9	Very low	112 Å²	112	124 Å²	124	69%	0.687	70%	0.697	S	S	*	*			cis	-179.7	173.7	-41.3	34.6	0	0	0	0	113.1
525	I	27.4	Very low	27.4	Very low	160 Å²	160	127.3 Å²	127.3	82%	0.821	70%	0.699	S	S	*	*			trans	83.7	150.9	164.4	-68.9	167.4	0	0	0	116.7
526	S	26	Very low	27.5	Very low	102 Å²	102	124.2 Å²	124.2	71%	0.713	69%	0.69	S	S	*	*			cis	-178.4	-174.6	-24.3	-74.1	0	0	0	0	107.8
527	S	26.9	Very low	27.5	Very low	104 Å²	104	127 Å²	127	73%	0.727	69%	0.691	S	S	*	*			cis	-179.6	167.2	-11.3	39.2	0	0	0	0	107.5
528	T	27.8	Very low	27.6	Very low	119 Å²	119	125.6 Å²	125.6	73%	0.73	69%	0.69	S	S	*	*			cis	-173.8	172.1	-1.7	20.8	0	0	0	0	111.2
529	T	28.8	Very low	27.9	Very low	119 Å²	119	126 Å²	126	73%	0.73	69%	0.694	S	S	*	*			trans	66	173.7	158.2	43	0	0	0	0	120
530	E	27.5	Very low	28	Very low	111 Å²	111	124.8 Å²	124.8	52%	0.519	70%	0.696	S	S	.	*				178.2	170.6	-52.4	-98.7	170.7	-122.6	0	0	108.9	R79	R79-E530 IonicContact CZ-OE1 2.79Å; R79-E530 IonicContact CZ-OE2 3.17Å; R79-E530 IonicContact NH1-OE1 2.75Å; R79-E530 PolarHBondContact NH1-OE1 3.39Å; R79-E530 IonicContact NH1-OE2 2.71Å; R79-E530 IonicContact NH2-OE1 3.3Å; R79-E530 PolarHBondContact NH2-OE1 3.19Å; R79-E530 IonicContact NH2-OE2 2.71Å; R79-E530 PolarHBondContact NH2-OE2 2.84Å
531	N	29.9	Very low	28	Very low	121 Å²	121	126.8 Å²	126.8	65%	0.647	71%	0.708	S	S	*	*			cis	-168.7	-179.9	4.1	-104.8	-25.9	0	0	0	107.1
532	S	30	Very low	27.8	Very low	81 Å²	81	124.5 Å²	124.5	57%	0.566	71%	0.709	S	S	*	*			cis	-179	179.4	-13.6	53.1	0	0	0	0	110.4
533	N	30.4	Very low	27.9	Very low	130 Å²	130	124.7 Å²	124.7	70%	0.695	72%	0.719	S	S	*	*			trans	87.2	158.9	167.1	-52.6	-67.6	0	0	0	119.6
534	N	29.8	Very low	27.8	Very low	120 Å²	120	124.5 Å²	124.5	64%	0.642	72%	0.723	S	S	*	*			cis	-170.5	148	-21.1	-97.6	-14.6	0	0	0	116.2
535	F	26.3	Very low	27.8	Very low	185 Å²	185	125 Å²	125	81%	0.811	72%	0.721	S	S	*	*			trans	32	161	153.7	-65.4	-95.8	0	0	0	126.2
536	C	26.4	Very low	27.8	Very low	100 Å²	100	123.4 Å²	123.4	68%	0.676	71%	0.714	S	S	*	*			cis	177.6	174.1	-34.6	-167.3	0	0	0	0	112.9
537	F	25	Very low	27.8	Very low	166 Å²	166	123.9 Å²	123.9	73%	0.728	71%	0.713	S	S	*	*			trans	112.4	106	152.9	-80.6	-89.2	0	0	0	126
538	I	25.6	Very low	27.9	Very low	148 Å²	148	124.8 Å²	124.8	76%	0.759	72%	0.715	S	S	*	*				71.1	147.3	129.4	-76.1	-172.3	0	0	0	126.4
539	P	33.7	Very low	27.7	Very low	110 Å²	110	125.9 Å²	125.9	71%	0.714	72%	0.716	S	S	*	*			trans	-136.4	-164.2	-170.8	45.5	-25.5	0	0	0	118.3
540	S	27.3	Very low	27.7	Very low	113 Å²	113	131.2 Å²	131.2	79%	0.79	72%	0.724	S	S	*	*			trans	107.2	147.6	151.2	79.1	0	0	0	0	122.1
541	V	27.6	Very low	27.6	Very low	147 Å²	147	134.2 Å²	134.2	89%	0.891	74%	0.738	S	S	*	*			trans	163.4	164.1	149.1	155.1	0	0	0	0	111.7
542	S	26.4	Very low	27.8	Very low	107 Å²	107	132.4 Å²	132.4	75%	0.748	73%	0.732	S	S	*	*			trans	-136.6	177	-167.3	59.2	0	0	0	0	115
543	V	28.8	Very low	27.7	Very low	140 Å²	140	136.1 Å²	136.1	85%	0.848	74%	0.739	S	S	*	*			trans	-179.3	174.3	153.9	140.8	0	0	0	0	112.2
544	T	26.8	Very low	27.6	Very low	119 Å²	119	138.6 Å²	138.6	73%	0.73	74%	0.74	S	S	*	*			trans	-138.7	-176.9	-154.4	55.7	0	0	0	0	117.2
545	N	26.3	Very low	27.5	Very low	122 Å²	122	140.3 Å²	140.3	65%	0.652	75%	0.746	S	S	*	*			trans	112.6	133.7	148.3	-80.7	49.2	0	0	0	124
546	D	26.3	Very low	27.5	Very low	127 Å²	127	136.7 Å²	136.7	68%	0.679	74%	0.735	S	S	*	*			trans	63.8	157.5	137.7	-56.1	-17.9	0	0	0	124.5
547	T	26.3	Very low	27.6	Very low	112 Å²	112	138.8 Å²	138.8	69%	0.687	74%	0.735	S	S	*	*			cis	-166.1	172	-33.2	40	0	0	0	0	112.1
548	T	29.1	Very low	27.6	Very low	124 Å²	124	139.7 Å²	139.7	76%	0.761	74%	0.739	S	S	*	*			trans	105.7	110.9	150.1	70.6	0	0	0	0	124.7
549	N	24.3	Very low	27.9	Very low	142 Å²	142	138 Å²	138	76%	0.759	74%	0.738	S	S	*	*			trans	27.3	141.7	131.5	-56	-18.5	0	0	0	126
550	Y	27.2	Very low	27.5	Very low	231 Å²	231	138.5 Å²	138.5	91%	0.906	74%	0.738	S	S	*	*				-175.5	155.4	108.7	-109.1	-78.8	0	0	0	115
551	H	26.1	Very low	27.6	Very low	174 Å²	174	140.2 Å²	140.2	81%	0.806	74%	0.737	S	S	*	*			trans	-162.3	-172.8	-174.5	-142.9	40.8	0	0	0	110.2
552	P	34.1	Very low	27.6	Very low	82 Å²	82	140.5 Å²	140.5	53%	0.532	73%	0.734	S	S	.	*			cis	-138.9	-126.3	3.5	45.2	-22.9	0	0	0	115.5
553	F	27.4	Very low	27.6	Very low	160 Å²	160	143.3 Å²	143.3	70%	0.702	74%	0.74	S	S	*	*			trans	92.4	157.1	171.3	-61.4	-63.2	0	0	0	119.1
554	Y	29.1	Very low	27.7	Very low	182 Å²	182	141.6 Å²	141.6	71%	0.714	73%	0.731	S	S	*	*			cis	-140.1	-98.9	-0.8	-132.3	-39.7	0	0	0	118.3
555	M	27.1	Very low	27.7	Very low	155 Å²	155	141.7 Å²	141.7	76%	0.764	73%	0.732	S	S	*	*			trans	-149.1	159.9	-152.9	-101.1	174.9	-175	0	0	114.2
556	N	27.3	Very low	27.9	Very low	110 Å²	110	141.1 Å²	141.1	59%	0.588	74%	0.738	S	S	*	*			cis	-154.7	-162	6.9	-144	-4.9	0	0	0	109.8
557	Q	27.1	Very low	28	Very low	144 Å²	144	143.8 Å²	143.8	67%	0.673	75%	0.746	S	S	*	*			cis	-152	-139.6	-12.4	-154.1	159.2	-9.2	0	0	111.4
558	F	25.2	Very low	28.2	Very low	184 Å²	184	142.9 Å²	142.9	81%	0.807	74%	0.742	S	S	*	*			trans	-162	178.8	-174.7	-93.8	-59.7	0	0	0	110
559	P	32.4	Very low	28.2	Very low	114 Å²	114	143 Å²	143	74%	0.74	74%	0.743	S	S	*	*			cis	-143.5	-116.3	28.8	42.6	-17.4	0	0	0	117.8
560	T	25.9	Very low	28.4	Very low	119 Å²	119	140.4 Å²	140.4	73%	0.73	74%	0.736	S	S	*	*			trans	-160	173.5	-156.8	52.5	0	0	0	0	114
561	I	28.2	Very low	28.4	Very low	149 Å²	149	135.1 Å²	135.1	76%	0.764	73%	0.727	S	S	*	*			trans	175.2	127.9	135.8	-93.4	160	0	0	0	117.6
562	N	27.3	Very low	28.6	Very low	153 Å²	153	132 Å²	132	82%	0.818	72%	0.721	S	S	*	*			trans	62.1	157.6	146.4	-60.6	-4.9	0	0	0	128.7
563	L	26.9	Very low	28.3	Very low	167 Å²	167	133.3 Å²	133.3	87%	0.874	73%	0.727	S	S	*	*			trans	-104.6	-166.5	-172.6	-122.5	76.9	0	0	0	112
564	P	31.9	Very low	28.5	Very low	103 Å²	103	131.5 Å²	131.5	67%	0.669	73%	0.725	S	S	*	*			cis	-148.2	-172.4	18.6	36.5	-10.6	0	0	0	120.4
565	T	26.5	Very low	28.4	Very low	122 Å²	122	129.2 Å²	129.2	75%	0.748	73%	0.725	S	S	*	*			trans	93.9	135.6	140.2	25.9	0	0	0	0	126.6
566	S	30.9	Very low	28.7	Very low	110 Å²	110	129.7 Å²	129.7	77%	0.769	73%	0.73	S	S	*	*			trans	61.8	131.1	160.9	45.1	0	0	0	0	120.4
567	E	27	Very low	28.6	Very low	182 Å²	182	130.7 Å²	130.7	85%	0.85	74%	0.735	S	S	*	*			cis	81.2	148.9	27.9	-71.9	-159.6	171.2	0	0	117.2
568	P	31.8	Very low	28.9	Very low	94 Å²	94	132.7 Å²	132.7	61%	0.61	74%	0.744	S	S	*	*			cis	-145.4	-164.1	-27.5	37.6	-16.3	0	0	0	115.4
569	T	27.9	Very low	29	Very low	126 Å²	126	135.6 Å²	135.6	77%	0.773	75%	0.75	S	S	*	*			trans	72.8	152.1	149.8	41	0	0	0	0	121
570	S	28.4	Very low	28.9	Very low	87 Å²	87	134.3 Å²	134.3	61%	0.608	75%	0.749	S	S	*	*			cis	-172	160.5	-2.3	44.6	0	0	0	0	115
571	T	28.9	Very low	29	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	75%	0.754	S	S	*	*			trans	63.8	156.8	143.2	50.4	0	0	0	0	120.1
572	T	30.4	Very low	29	Very low	109 Å²	109	139.3 Å²	139.3	67%	0.669	76%	0.762	S	S	*	*			cis	-161.4	126.6	-2	14.4	0	0	0	0	108.6
573	T	27.9	Very low	28.9	Very low	109 Å²	109	138 Å²	138	67%	0.669	76%	0.761	S	S	*	*				82.6	155	91.9	68.5	0	0	0	0	118.5
574	D	30.9	Very low	28.7	Very low	122 Å²	122	135.6 Å²	135.6	65%	0.652	76%	0.759	S	S	*	*			trans	86.6	97.4	154.1	-55	-54.2	0	0	0	123.2
575	N	27.7	Very low	28.4	Very low	135 Å²	135	136.7 Å²	136.7	72%	0.722	77%	0.768	S	S	*	*				48.5	128	122.1	-41.4	-39.6	0	0	0	121.9
576	L	31.9	Very low	28.5	Very low	165 Å²	165	134.8 Å²	134.8	86%	0.864	76%	0.76	S	S	*	*				-173.6	169.6	111	-98.1	161	0	0	0	112
577	D	26.5	Very low	28.2	Very low	130 Å²	130	141.3 Å²	141.3	70%	0.695	77%	0.77	S	S	*	*			trans	-73.5	153.9	-167.4	-64.1	-85.2	0	0	0	116.6
578	H	33.4	Very low	28.4	Very low	186 Å²	186	135.3 Å²	135.3	86%	0.861	75%	0.748	S	S	*	*				176.7	162.2	111.7	-88.2	-33.4	0	0	0	115.4
579	R	26.6	Very low	28.4	Very low	245 Å²	245	135.2 Å²	135.2	93%	0.925	74%	0.742	S	S	*	*			trans	-19.4	126.6	171.4	-66.7	170	165.6	167.4	-5.7	118.3
580	A	30.6	Very low	28.7	Very low	88 Å²	88	134.1 Å²	134.1	73%	0.727	74%	0.735	S	S	*	*				-175.8	145.5	126.6	0	0	0	0	0	111.7
581	P	28	Very low	28.9	Very low	126 Å²	126	137.2 Å²	137.2	82%	0.818	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-73.1	126.2	168	30.5	-32.5	0	0	0	110.4	P583	P581-P583 WeakPolarHBondContact O-CD 3.45Å
582	R	27.3	Very low	29.1	Very low	247 Å²	247	137.3 Å²	137.3	93%	0.932	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-79.6	128.1	176.8	-81.1	-169.3	174.7	-155.5	-0.6	112
583	P	25	Very low	29.1	Very low	125 Å²	125	138.6 Å²	138.6	81%	0.812	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-71.2	167.2	163	-15.4	31.1	0	0	0	112.6	P581	P581-P583 WeakPolarHBondContact O-CD 3.45Å
584	S	22.8	Very low	29.4	Very low	117 Å²	117	141.1 Å²	141.1	82%	0.818	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-83.2	137.7	174	53.6	0	0	0	0	113.7
585	S	26.5	Very low	29.7	Very low	125 Å²	125	139.8 Å²	139.8	87%	0.874	72%	0.72	S	S	*	*			trans	-169.7	-178.5	144.1	61.6	0	0	0	0	111.6
586	S	27.5	Very low	30	Very low	83 Å²	83	140.7 Å²	140.7	58%	0.58	71%	0.714	S	S	*	*			trans	-91.9	150.4	-161.6	45.2	0	0	0	0	116.2	S588	S586-S588 PolarHBondContact O-N 2.71Å; S586-S588 PolarHBondContact OG-OG 3.47Å; S586-S588 VanDerWaalsContact OG-OG 3.06Å
587	Y	25.7	Very low	30.3	Very low	246 Å²	246	138.3 Å²	138.3	97%	0.965	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	37.4	-178.8	-165.7	-102.9	0	0	0	113.2
588	S	30.9	Very low	30.6	Very low	57 Å²	57	137.8 Å²	137.8	40%	0.399	70%	0.695	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.7	-37.1	-165.8	38.5	0	0	0	0	115.1	S586 V590	S586-S588 PolarHBondContact O-N 2.71Å; S586-S588 PolarHBondContact OG-OG 3.47Å; S586-S588 VanDerWaalsContact OG-OG 3.06Å; S588-V590 PolarHBondContact O-N 2.79Å
589	D	32	Very low	30.7	Very low	92 Å²	92	132 Å²	132	49%	0.492	67%	0.67	S	S	.	*	H	α-helix	trans	-86.9	-22.7	-147.4	-53.2	-19.9	0	0	0	114.4	K591 M592 Q593	D589-K591 VanDerWaalsContact C-N 3.34Å; D589-K591 PolarHBondContact O-N 3.2Å; D589-M592 WeakPolarHBondContact O-CB 3.19Å; D589-M592 PolarHBondContact O-N 3.25Å; D589-M592 VanDerWaalsContact O-N 3.14Å; D589-Q593 PolarHBondContact O-N 3.29Å; D589-Q593 VanDerWaalsContact O-N 3.1Å
590	V	33.3	Very low	31.2	Very low	103 Å²	103	124.5 Å²	124.5	62%	0.624	65%	0.648	S	S	*	*	H	α-helix	trans	-69.8	-27.3	-175.6	-175.8	0	0	0	0	112.8	S588	S588-V590 PolarHBondContact O-N 2.79Å
591	K	33.3	Very low	31.3	Very low	152 Å²	152	125 Å²	125	66%	0.661	64%	0.638	S	S	*	*	H	α-helix	trans	-73.8	-36.5	171.1	-85.3	-164	173.6	-168.3	0	111.8	D589 F595 C679	D589-K591 VanDerWaalsContact C-N 3.34Å; D589-K591 PolarHBondContact O-N 3.2Å; K591-F595 PolarHBondContact O-N 2.9Å; K591-C679 PolarHBondContact NZ-SG 3.06Å
592	M	33.1	Very low	31.6	Very low	121 Å²	121	123.5 Å²	123.5	60%	0.596	62%	0.623	S	S	*	*	H	α-helix	trans	-63.4	-45.7	176.6	-87	-69	-75.1	0	0	112	D589 K594 F595 Y596	D589-M592 WeakPolarHBondContact O-CB 3.19Å; D589-M592 PolarHBondContact O-N 3.25Å; D589-M592 VanDerWaalsContact O-N 3.14Å; M592-K594 VanDerWaalsContact C-N 3.32Å; M592-K594 PolarHBondContact O-N 2.97Å; M592-F595 WeakPolarHBondContact O-CB 3.3Å; M592-F595 PolarHBondContact O-N 3.42Å; M592-F595 VanDerWaalsContact O-N 3.11Å; M592-Y596 WeakPolarHBondContact O-CB 3.32Å; M592-Y596 PolarHBondContact O-N 2.89Å
593	Q	30.4	Very low	31.8	Very low	136 Å²	136	115.1 Å²	115.1	64%	0.636	59%	0.593	S	S	*	*	H	α-helix	trans	-59.4	-39.5	-179.8	-71	175.3	-16.2	0	0	113	D589 L597	D589-Q593 PolarHBondContact O-N 3.29Å; D589-Q593 VanDerWaalsContact O-N 3.1Å; Q593-L597 PolarHBondContact O-N 2.99Å; Q593-L597 VanDerWaalsContact O-N 3.1Å
594	K	34.8	Very low	32.2	Very low	163 Å²	163	114.4 Å²	114.4	71%	0.709	58%	0.582	S	S	*	*	H	α-helix	trans	-71	-33.4	175.7	-71.7	-171.4	175.7	-175.2	0	113.2	M592 H598	M592-K594 VanDerWaalsContact C-N 3.32Å; M592-K594 PolarHBondContact O-N 2.97Å; K594-H598 PolarHBondContact O-N 2.91Å
595	F	35.6	Very low	32.6	Very low	94 Å²	94	115 Å²	115	41%	0.412	58%	0.576	S	S	.	*	H	α-helix	trans	-68	-44.3	174	-174.3	-114.7	0	0	0	111.4	K591 M592 L597 H598 L599	K591-F595 PolarHBondContact O-N 2.9Å; M592-F595 WeakPolarHBondContact O-CB 3.3Å; M592-F595 PolarHBondContact O-N 3.42Å; M592-F595 VanDerWaalsContact O-N 3.11Å; F595-L597 PolarHBondContact O-N 3.33Å; F595-H598 WeakPolarHBondContact O-CB 3.48Å; F595-H598 PolarHBondContact O-N 3.23Å; F595-L599 HydrophobicContact CD1-CD1 3.95Å; F595-L599 HydrophobicContact CE1-CD1 3.68Å; F595-L599 HydrophobicContact CE1-CG 4.37Å; F595-L599 HydrophobicContact CZ-CD1 4.2Å; F595-L599 HydrophobicContact CZ-CD2 4.49Å; F595-L599 HydrophobicContact CZ-CG 4.48Å; F595-L599 PolarHBondContact O-N 3.24Å
596	Y	33.9	Very low	32.8	Very low	154 Å²	154	111.9 Å²	111.9	60%	0.604	55%	0.553	S	S	*	*	H	α-helix	trans	-60.2	-44.8	177.2	-153	-102.8	0	0	0	112	M592 H598 L599 L600	M592-Y596 WeakPolarHBondContact O-CB 3.32Å; M592-Y596 PolarHBondContact O-N 2.89Å; Y596-H598 VanDerWaalsContact C-N 3.25Å; Y596-H598 PolarHBondContact O-N 3.18Å; Y596-L599 PolarHBondContact O-N 3.41Å; Y596-L600 HydrophobicContact CD1-CD1 3.57Å; Y596-L600 HydrophobicContact CE1-CD1 3.67Å; Y596-L600 WeakPolarHBondContact O-CD1 3.37Å; Y596-L600 PolarHBondContact O-N 2.9Å
597	L	38.6	Very low	33.1	Very low	114 Å²	114	111.4 Å²	111.4	60%	0.597	54%	0.544	S	S	*	.	H	α-helix	trans	-64.2	-28.6	174.7	-167.2	67.2	0	0	0	112.7	Q593 F595 N601	Q593-L597 PolarHBondContact O-N 2.99Å; Q593-L597 VanDerWaalsContact O-N 3.1Å; F595-L597 PolarHBondContact O-N 3.33Å; L597-N601 PolarHBondContact O-N 3.33Å; L597-N601 PolarHBondContact O-ND2 2.61Å
598	H	33.5	Very low	33.3	Very low	120 Å²	120	106.2 Å²	106.2	56%	0.556	53%	0.534	S	S	*	.	H	α-helix	trans	-74.7	-40.4	175.1	-158.6	-2.6	0	0	0	112	K594 F595 Y596 N601 I602	K594-H598 PolarHBondContact O-N 2.91Å; F595-H598 WeakPolarHBondContact O-CB 3.48Å; F595-H598 PolarHBondContact O-N 3.23Å; Y596-H598 VanDerWaalsContact C-N 3.25Å; Y596-H598 PolarHBondContact O-N 3.18Å; H598-N601 PolarHBondContact O-N 3.34Å; H598-I602 WeakPolarHBondContact O-CG1 3.31Å; H598-I602 PolarHBondContact O-N 3.11Å; H598-I602 VanDerWaalsContact O-N 3.15Å
599	L	35.1	Very low	33.2	Very low	63 Å²	63	110.3 Å²	110.3	33%	0.33	55%	0.55	S	S	.	*	H	α-helix	trans	-61.6	-44.6	174.2	-70.1	172	0	0	0	112	F595 Y596 N601 I602 F603	F595-L599 HydrophobicContact CD1-CD1 3.95Å; F595-L599 HydrophobicContact CE1-CD1 3.68Å; F595-L599 HydrophobicContact CE1-CG 4.37Å; F595-L599 HydrophobicContact CZ-CD1 4.2Å; F595-L599 HydrophobicContact CZ-CD2 4.49Å; F595-L599 HydrophobicContact CZ-CG 4.48Å; F595-L599 PolarHBondContact O-N 3.24Å; Y596-L599 PolarHBondContact O-N 3.41Å; L599-N601 PolarHBondContact O-N 3.35Å; L599-I602 PolarHBondContact O-N 2.97Å; L599-F603 PolarHBondContact O-N 3.33Å
600	L	36.6	Very low	33.3	Very low	89 Å²	89	115.6 Å²	115.6	47%	0.466	57%	0.569	S	S	.	*	H	α-helix	trans	-57.2	-35.5	174.7	-99.4	121.9	0	0	0	112.9	Y596 N604	Y596-L600 HydrophobicContact CD1-CD1 3.57Å; Y596-L600 HydrophobicContact CE1-CD1 3.67Å; Y596-L600 WeakPolarHBondContact O-CD1 3.37Å; Y596-L600 PolarHBondContact O-N 2.9Å; L600-N604 PolarHBondContact O-N 2.77Å; L600-N604 PolarHBondContact O-ND2 2.65Å
601	N	33.9	Very low	33	Very low	98 Å²	98	118 Å²	118	52%	0.524	58%	0.583	S	S	.	*	H	α-helix	trans	-75.3	-28.7	175.9	-79.7	-71.6	0	0	0	113.1	L597 H598 L599	L597-N601 PolarHBondContact O-N 3.33Å; L597-N601 PolarHBondContact O-ND2 2.61Å; H598-N601 PolarHBondContact O-N 3.34Å; L599-N601 PolarHBondContact O-N 3.35Å
602	I	34.6	Very low	32.8	Very low	95 Å²	95	114.7 Å²	114.7	49%	0.487	58%	0.584	S	S	.	*	H	α-helix	trans	-74.1	-42.7	177	-68.8	165.6	0	0	0	110.9	H598 L599 N604 L605 S606	H598-I602 WeakPolarHBondContact O-CG1 3.31Å; H598-I602 PolarHBondContact O-N 3.11Å; H598-I602 VanDerWaalsContact O-N 3.15Å; L599-I602 PolarHBondContact O-N 2.97Å; I602-N604 PolarHBondContact O-N 3.47Å; I602-L605 PolarHBondContact O-N 3.08Å; I602-L605 VanDerWaalsContact O-N 3.13Å; I602-S606 PolarHBondContact O-N 3.19Å
603	F	31.7	Very low	32.6	Very low	71 Å²	71	116.8 Å²	116.8	31%	0.311	60%	0.598	S	S	.	*	H	α-helix	trans	-67.7	-33	179.3	-85.1	-67.1	0	0	0	114.1	L599 L605 S606 I1054	L599-F603 PolarHBondContact O-N 3.33Å; F603-L605 PolarHBondContact O-N 3.21Å; F603-L605 VanDerWaalsContact O-N 3.11Å; F603-S606 PolarHBondContact O-N 3.23Å; F603-S606 PolarHBondContact O-OG 2.83Å; F603-I1054 HydrophobicContact CB-CG2 4.25Å; F603-I1054 HydrophobicContact CD1-CB 3.97Å; F603-I1054 HydrophobicContact CD1-CG2 3.43Å; F603-I1054 VanDerWaalsContact CD1-CG2 3.43Å; F603-I1054 WeakPolarHBondContact CD1-O 3.44Å; F603-I1054 HydrophobicContact CD2-CD1 4.49Å; F603-I1054 HydrophobicContact CD2-CG2 3.84Å; F603-I1054 HydrophobicContact CE1-CB 3.58Å; F603-I1054 HydrophobicContact CE1-CG2 3.6Å; F603-I1054 WeakPolarHBondContact CE1-O 3.49Å; F603-I1054 HydrophobicContact CE2-CB 4.22Å; F603-I1054 HydrophobicContact CE2-CD1 3.81Å; F603-I1054 HydrophobicContact CE2-CG2 3.97Å; F603-I1054 HydrophobicContact CG-CB 4.46Å; F603-I1054 HydrophobicContact CG-CG2 3.56Å; F603-I1054 HydrophobicContact CZ-CB 3.71Å; F603-I1054 HydrophobicContact CZ-CD1 3.89Å; F603-I1054 HydrophobicContact CZ-CG1 4.35Å; F603-I1054 HydrophobicContact CZ-CG2 3.86Å
604	N	32.3	Very low	32.6	Very low	109 Å²	109	113.9 Å²	113.9	58%	0.583	60%	0.604	S	S	*	*	H	α-helix	trans	-65.1	-12.2	173.2	-82.1	-71.8	0	0	0	113.8	L600 I602 N608	L600-N604 PolarHBondContact O-N 2.77Å; L600-N604 PolarHBondContact O-ND2 2.65Å; I602-N604 PolarHBondContact O-N 3.47Å; N604-N608 PolarHBondContact O-ND2 3.42Å; N604-N608 VanDerWaalsContact O-ND2 3.15Å
605	L	31.3	Very low	32.4	Very low	131 Å²	131	114.4 Å²	114.4	69%	0.686	61%	0.609	S	S	*	*	H	α-helix	trans	-98	-27.6	176.1	-91.7	147.4	0	0	0	113.9	I602 F603	I602-L605 PolarHBondContact O-N 3.08Å; I602-L605 VanDerWaalsContact O-N 3.13Å; F603-L605 PolarHBondContact O-N 3.21Å; F603-L605 VanDerWaalsContact O-N 3.11Å
606	S	30.3	Very low	32	Very low	58 Å²	58	116 Å²	116	41%	0.406	62%	0.621	S	S	.	*	H	α-helix	trans	-72.3	-33.4	178.7	49.7	0	0	0	0	113.6	I602 F603 N608	I602-S606 PolarHBondContact O-N 3.19Å; F603-S606 PolarHBondContact O-N 3.23Å; F603-S606 PolarHBondContact O-OG 2.83Å; S606-N608 PolarHBondContact O-N 2.85Å
607	N	33.3	Very low	31.9	Very low	73 Å²	73	116.4 Å²	116.4	39%	0.39	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-5.8	-165.8	-64	0.8	0	0	0	114.2	S1055	N607-S1055 PolarHBondContact ND2-OXT 3.12Å
608	N	31.8	Very low	31.4	Very low	138 Å²	138	115.4 Å²	115.4	74%	0.738	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	9.4	-179.5	-72	-68.6	0	0	0	114.1	N604 S606	N604-N608 PolarHBondContact O-ND2 3.42Å; N604-N608 VanDerWaalsContact O-ND2 3.15Å; S606-N608 PolarHBondContact O-N 2.85Å
609	L	28.8	Very low	31.5	Very low	143 Å²	143	115.8 Å²	115.8	75%	0.749	65%	0.648	S	S	*	*	S	Bend	trans	-130.6	1.8	-162.8	-81.7	170.4	0	0	0	118.2
610	K	32.2	Very low	31.3	Very low	202 Å²	202	116.2 Å²	116.2	88%	0.878	67%	0.668	S	S	*	*			trans	-140.9	81.4	-179.9	-72.1	-171.1	178.9	176.9	0	115.1
611	V	27.3	Very low	30.9	Very low	153 Å²	153	123.2 Å²	123.2	93%	0.927	69%	0.688	S	S	*	*			trans	-129.9	94.5	160.2	179.5	0	0	0	0	108.4
612	A	29.8	Very low	30.8	Very low	83 Å²	83	124.7 Å²	124.7	69%	0.686	70%	0.696	S	S	*	*			trans	-163.4	138.4	172.1	0	0	0	0	0	112.4
613	N	29.6	Very low	30.6	Very low	166 Å²	166	126 Å²	126	89%	0.888	70%	0.704	S	S	*	*			trans	70.1	106.6	158.5	-51.1	-12.5	0	0	0	118.6
614	G	29.8	Very low	30.6	Very low	74 Å²	74	127.8 Å²	127.8	76%	0.763	72%	0.721	S	S	*	*			trans	-179.8	85.8	168.1	0	0	0	0	0	114.1
615	E	29.8	Very low	30.5	Very low	174 Å²	174	128.4 Å²	128.4	81%	0.813	73%	0.729	S	S	*	*			trans	-153.7	154.3	-170.4	-71.1	178.9	84.8	0	0	109.9
616	I	28	Very low	30.3	Very low	129 Å²	129	126.6 Å²	126.6	66%	0.662	72%	0.72	S	S	*	*			cis	-160.4	165.1	-14	-115.7	169.9	0	0	0	108
617	L	30.9	Very low	30.2	Very low	161 Å²	161	126.9 Å²	126.9	84%	0.843	73%	0.732	S	S	*	*			trans	138.6	133.7	152.4	-75.6	171.1	0	0	0	112.1
618	S	29.6	Very low	30	Very low	94 Å²	94	130.2 Å²	130.2	66%	0.657	76%	0.755	S	S	*	*			cis	139.8	162.5	-15.9	-82.8	0	0	0	0	109.9
619	P	35.8	Very low	29.8	Very low	128 Å²	128	127.4 Å²	127.4	83%	0.831	75%	0.751	S	S	*	*			cis	-137.7	179.7	-43.5	39.9	-24	0	0	0	112.9
620	G	29.2	Very low	29.9	Very low	72 Å²	72	129 Å²	129	74%	0.742	75%	0.747	S	S	*	*			trans	-173.7	96.9	169.5	0	0	0	0	0	116.2
621	R	29.5	Very low	29.9	Very low	236 Å²	236	128.4 Å²	128.4	89%	0.891	74%	0.744	S	S	*	*			trans	2	136	163.2	-63.6	178.3	169.8	149.7	-2.7	118.4
622	N	31.5	Very low	30.1	Very low	129 Å²	129	126.4 Å²	126.4	69%	0.69	73%	0.733	S	S	*	*			cis	-162.9	-168.7	2.6	-119.4	36.9	0	0	0	107
623	D	30.2	Very low	30.2	Very low	121 Å²	121	128.8 Å²	128.8	65%	0.647	73%	0.733	S	S	*	*			cis	-156.4	-172.2	11.1	-139.3	-50	0	0	0	111.4
624	T	31.7	Very low	30.4	Very low	109 Å²	109	127.7 Å²	127.7	67%	0.669	72%	0.723	S	S	*	*			trans	31.8	88.2	159.5	56.6	0	0	0	0	118
625	T	30.2	Very low	30.5	Very low	122 Å²	122	133.3 Å²	133.3	75%	0.748	72%	0.722	S	S	*	*				76.2	143.6	79.6	59.4	0	0	0	0	116.3
626	D	26.8	Very low	30.7	Very low	93 Å²	93	131.6 Å²	131.6	50%	0.497	72%	0.717	S	S	.	*			cis	-172.4	164.4	-25.2	-161.7	-20.6	0	0	0	106.5	R630	D626-R630 IonicContact OD1-NE 3.14Å; D626-R630 IonicContact OD2-CZ 2.61Å; D626-R630 IonicContact OD2-NE 2.81Å; D626-R630 PolarHBondContact OD2-NE 3.1Å; D626-R630 IonicContact OD2-NH2 2.75Å; D626-R630 PolarHBondContact OD2-NH2 3.15Å
627	G	29.1	Very low	31	Very low	64 Å²	64	131.4 Å²	131.4	66%	0.66	72%	0.718	S	S	*	*	S	Bend	trans	175.8	-36.2	169.7	0	0	0	0	0	118.6
628	V	29.1	Very low	31.3	Very low	144 Å²	144	129.6 Å²	129.6	87%	0.873	71%	0.709	S	S	*	*	S	Bend	trans	-116.6	-10.6	-171.4	-170.8	0	0	0	0	113.1	R630	V628-R630 PolarHBondContact O-N 3.37Å
629	A	27.8	Very low	31.5	Very low	79 Å²	79	131.7 Å²	131.7	65%	0.653	71%	0.712	S	S	*	*	S	Bend	trans	-87.9	7.5	-173.5	0	0	0	0	0	115.5
630	R	30.2	Very low	31.4	Very low	175 Å²	175	131.1 Å²	131.1	66%	0.66	71%	0.708	S	S	*	*	S	Bend	trans	-103.2	5.9	-166.9	-68.2	-166.4	-173.7	-177.8	3	117.5	D626 V628	D626-R630 IonicContact OD1-NE 3.14Å; D626-R630 IonicContact OD2-CZ 2.61Å; D626-R630 IonicContact OD2-NE 2.81Å; D626-R630 PolarHBondContact OD2-NE 3.1Å; D626-R630 IonicContact OD2-NH2 2.75Å; D626-R630 PolarHBondContact OD2-NH2 3.15Å; V628-R630 PolarHBondContact O-N 3.37Å
631	K	32.8	Very low	31.5	Very low	190 Å²	190	136.7 Å²	136.7	83%	0.826	72%	0.715	S	S	*	*	S	Bend	trans	-118	-6.3	-179	-80.9	-167.7	172.1	-174.3	0	116.9
632	T	31.5	Very low	31.7	Very low	112 Å²	112	130.5 Å²	130.5	69%	0.687	71%	0.708	S	S	*	*	S	Bend	trans	-95.6	-20.9	178.6	-28.6	0	0	0	0	112.8
633	L	31.4	Very low	31.8	Very low	132 Å²	132	134 Å²	134	69%	0.691	72%	0.717	S	S	*	*	S	Bend	trans	-84	-8.3	-173.2	-147	73.7	0	0	0	114.2	N637	L633-N637 PolarHBondContact O-ND2 3.13Å
634	E	33.9	Very low	31.6	Very low	144 Å²	144	133.9 Å²	133.9	67%	0.673	72%	0.724	S	S	*	*	S	Bend	trans	-95	-21.4	-171.8	-153.8	163.1	-141.3	0	0	112.8	N638	E634-N638 PolarHBondContact O-ND2 3.39Å
635	Y	30.9	Very low	31.4	Very low	192 Å²	192	137.7 Å²	137.7	75%	0.753	73%	0.734	S	S	*	*	S	Bend	trans	-85.9	-27	-177.7	-160.9	-97.2	0	0	0	113.7
636	I	34.8	Very low	31.4	Very low	137 Å²	137	140.8 Å²	140.8	70%	0.703	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-76.1	-26.2	-178.2	-63.3	175.6	0	0	0	111.6	N638	I636-N638 VanDerWaalsContact C-N 3.26Å; I636-N638 PolarHBondContact O-N 3.05Å
637	N	34.9	Very low	31.4	Very low	126 Å²	126	142 Å²	142	67%	0.674	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-81.5	16.5	-175	-75.3	-57.5	0	0	0	115.1	L633	L633-N637 PolarHBondContact O-ND2 3.13Å
638	N	37.3	Very low	31.3	Very low	123 Å²	123	143.7 Å²	143.7	66%	0.658	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-140.1	20.5	-163.2	-81.1	-64.3	0	0	0	116.9	E634 I636	E634-N638 PolarHBondContact O-ND2 3.39Å; I636-N638 VanDerWaalsContact C-N 3.26Å; I636-N638 PolarHBondContact O-N 3.05Å
639	L	33.5	Very low	31.1	Very low	137 Å²	137	145.1 Å²	145.1	72%	0.717	75%	0.75	S	S	*	*	S	Bend	trans	-132.9	153.1	174.3	-88.5	100.6	0	0	0	114
640	P	34.2	Very low	31.1	Very low	116 Å²	116	148.6 Å²	148.6	75%	0.753	76%	0.758	S	S	*	*			trans	-88	153.5	-136.6	-17.8	34.6	0	0	0	118.6	S642	P640-S642 VanDerWaalsContact C-N 3.3Å; P640-S642 PolarHBondContact O-N 3.16Å; P640-S642 VanDerWaalsContact O-N 3.11Å
641	E	30.1	Very low	30.9	Very low	189 Å²	189	147.2 Å²	147.2	88%	0.883	76%	0.763	S	S	*	*			trans	-77.3	7.8	-162.9	-144.7	164.4	-159	0	0	116.2	K643	E641-K643 PolarHBondContact O-N 3.37Å
642	S	32.9	Very low	30.5	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	15.5	-154.9	69.7	0	0	0	0	117.4	P640	P640-S642 VanDerWaalsContact C-N 3.3Å; P640-S642 PolarHBondContact O-N 3.16Å; P640-S642 VanDerWaalsContact O-N 3.11Å
643	K	33.9	Very low	30.2	Very low	201 Å²	201	143.4 Å²	143.4	87%	0.874	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.2	8	177.3	-78.6	-166	175.2	179.5	0	116.1	E641	E641-K643 PolarHBondContact O-N 3.37Å
644	C	26.7	Very low	29.9	Very low	119 Å²	119	144 Å²	144	80%	0.804	76%	0.759	S	S	*	*			trans	-104.2	53	-175.3	-73.1	0	0	0	0	114
645	Q	27.7	Very low	29.5	Very low	190 Å²	190	142 Å²	142	89%	0.888	76%	0.756	S	S	*	*			trans	-160.6	95	170.9	-114	162.4	42	0	0	113.8
646	Q	29.8	Very low	29.3	Very low	187 Å²	187	141.3 Å²	141.3	87%	0.874	76%	0.757	S	S	*	*			trans	-160.4	113.1	143.6	-119.2	172	4.9	0	0	111.3
647	T	27.7	Very low	29	Very low	119 Å²	119	141.8 Å²	141.8	73%	0.73	76%	0.761	S	S	*	*			trans	26.8	109.2	153.6	55.1	0	0	0	0	118.5
648	S	25.6	Very low	28.6	Very low	98 Å²	98	146 Å²	146	69%	0.685	77%	0.768	S	S	*	*				61.7	131	65	81.2	0	0	0	0	114.7
649	E	25.2	Very low	28.1	Very low	175 Å²	175	146.5 Å²	146.5	82%	0.818	77%	0.771	S	S	*	*			trans	61.5	96.4	163.1	-60.9	177.6	-177.6	0	0	117.8
650	N	29.1	Very low	27.9	Very low	152 Å²	152	148.4 Å²	148.4	81%	0.813	78%	0.78	S	S	*	*			trans	177.1	107.3	132.2	-94.5	-64	0	0	0	107.2
651	L	24.4	Very low	27.4	Very low	146 Å²	146	146.7 Å²	146.7	76%	0.764	78%	0.783	S	S	*	*				67.7	117.9	75	-153.6	82.6	0	0	0	113.8
652	T	25	Very low	27.3	Very low	117 Å²	117	143.9 Å²	143.9	72%	0.718	77%	0.773	S	S	*	*			trans	61.5	121.1	161.1	43.2	0	0	0	0	121.8
653	S	24.6	Very low	27.2	Very low	105 Å²	105	142.2 Å²	142.2	73%	0.734	76%	0.762	S	S	*	*			trans	89.6	124.1	133.4	80.1	0	0	0	0	121.6
654	H	25	Very low	27	Very low	145 Å²	145	138.8 Å²	138.8	67%	0.671	75%	0.751	S	S	*	*			trans	56.3	124.7	142	-85.5	-56.1	0	0	0	122.9
655	T	26.3	Very low	27.1	Very low	101 Å²	101	138.7 Å²	138.7	62%	0.62	74%	0.743	S	S	*	*			trans	89.7	121.7	133.9	48.4	0	0	0	0	122.6
656	K	25.9	Very low	27.4	Very low	177 Å²	177	134 Å²	134	77%	0.77	72%	0.724	S	S	*	*			trans	69.3	91.6	136.4	-61.7	164.2	-172.1	171.4	0	118
657	N	29.6	Very low	27.5	Very low	148 Å²	148	129.3 Å²	129.3	79%	0.791	70%	0.704	S	S	*	*				-143.5	128.4	97.5	-84.4	-43.3	0	0	0	107.3
658	R	25.9	Very low	27.7	Very low	213 Å²	213	128.4 Å²	128.4	80%	0.804	69%	0.694	S	S	*	*				72.9	134	70.1	-86.9	-173.1	167.9	163.7	-4.8	113.2
659	D	26.5	Very low	28	Very low	135 Å²	135	128.8 Å²	128.8	72%	0.722	68%	0.683	S	S	*	*			trans	67.3	77.6	159.5	-47.3	-27.5	0	0	0	118.9
660	I	29.5	Very low	28.4	Very low	177 Å²	177	124.1 Å²	124.1	91%	0.908	67%	0.67	S	S	*	*			trans	-144.3	1	140.5	-102.2	147.4	0	0	0	112.6	L662	I660-L662 PolarHBondContact O-N 3.35Å
661	G	25	Very low	28.4	Very low	79 Å²	79	121.6 Å²	121.6	81%	0.814	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	67.5	177.7	0	0	0	0	0	114.4
662	L	27.1	Very low	28.8	Very low	130 Å²	130	120.3 Å²	120.3	68%	0.681	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-152.6	-16.4	174.8	-112.3	170.1	0	0	0	117	I660 N666	I660-L662 PolarHBondContact O-N 3.35Å; L662-N666 WeakPolarHBondContact CD2-ND2 3.32Å; L662-N666 PolarHBondContact O-ND2 3.03Å
663	S	30.7	Very low	29.1	Very low	73 Å²	73	119.1 Å²	119.1	51%	0.51	64%	0.635	S	S	.	*	S	Bend	trans	-90.7	-64.9	-170	-168.9	0	0	0	0	114.4	N665 N666 I667	S663-N665 PolarHBondContact O-N 2.85Å; S663-N666 PolarHBondContact O-N 2.97Å; S663-I667 PolarHBondContact O-N 3.28Å; S663-I667 WeakPolarHBondContact OG-CD1 3.26Å
664	I	29.1	Very low	29.5	Very low	129 Å²	129	117.2 Å²	117.2	66%	0.662	62%	0.622	S	S	*	*	H	α-helix	trans	-61.7	-39.3	-167.8	-63.8	174.1	0	0	0	113	N666 I667 L668	I664-N666 VanDerWaalsContact C-N 3.28Å; I664-N666 PolarHBondContact O-N 3.46Å; I664-I667 PolarHBondContact O-N 3.26Å; I664-L668 HydrophobicContact CG2-CD1 3.87Å; I664-L668 HydrophobicContact CG2-CG 4.38Å; I664-L668 WeakPolarHBondContact O-CB 3.07Å; I664-L668 WeakPolarHBondContact O-CG 3.07Å; I664-L668 PolarHBondContact O-N 3.14Å
665	N	29.4	Very low	29.7	Very low	116 Å²	116	119 Å²	119	62%	0.62	62%	0.624	S	S	*	*	H	α-helix	trans	-74.3	-16.8	179.5	-124.5	-45.8	0	0	0	113.5	S663 K669	S663-N665 PolarHBondContact O-N 2.85Å; N665-K669 WeakPolarHBondContact O-CB 3.23Å; N665-K669 VanDerWaalsContact O-CG 3.28Å; N665-K669 WeakPolarHBondContact O-CG 3.45Å; N665-K669 PolarHBondContact O-N 3.34Å
666	N	33.9	Very low	29.8	Very low	92 Å²	92	120.9 Å²	120.9	49%	0.492	63%	0.63	S	S	.	*	H	α-helix	trans	-89	-34.4	169.7	-78.3	-31.3	0	0	0	111.7	L662 S663 I664 K669 S670	L662-N666 WeakPolarHBondContact CD2-ND2 3.32Å; L662-N666 PolarHBondContact O-ND2 3.03Å; S663-N666 PolarHBondContact O-N 2.97Å; I664-N666 VanDerWaalsContact C-N 3.28Å; I664-N666 PolarHBondContact O-N 3.46Å; N666-K669 PolarHBondContact O-N 3.36Å; N666-S670 VanDerWaalsContact O-CB 3.24Å; N666-S670 WeakPolarHBondContact O-CB 3.28Å; N666-S670 PolarHBondContact O-N 2.82Å
667	I	33	Very low	30	Very low	88 Å²	88	115.9 Å²	115.9	45%	0.451	62%	0.617	S	S	.	*	H	α-helix	trans	-63.6	-44.7	171.1	-68.9	170.3	0	0	0	110.3	S663 I664 S670 L671	S663-I667 PolarHBondContact O-N 3.28Å; S663-I667 WeakPolarHBondContact OG-CD1 3.26Å; I664-I667 PolarHBondContact O-N 3.26Å; I667-S670 WeakPolarHBondContact O-CB 3.45Å; I667-S670 PolarHBondContact O-N 2.88Å; I667-L671 HydrophobicContact CG2-CD1 3.86Å; I667-L671 WeakPolarHBondContact O-CB 3.48Å; I667-L671 WeakPolarHBondContact O-CG 3.48Å; I667-L671 PolarHBondContact O-N 2.69Å
668	L	30.9	Very low	29.8	Very low	100 Å²	100	115.5 Å²	115.5	52%	0.524	62%	0.615	S	S	.	*	H	α-helix	trans	-69.1	-35.8	175.8	-70.7	170.9	0	0	0	113	I664 S670 H672	I664-L668 HydrophobicContact CG2-CD1 3.87Å; I664-L668 HydrophobicContact CG2-CG 4.38Å; I664-L668 WeakPolarHBondContact O-CB 3.07Å; I664-L668 WeakPolarHBondContact O-CG 3.07Å; I664-L668 PolarHBondContact O-N 3.14Å; L668-S670 VanDerWaalsContact C-N 3.31Å; L668-H672 WeakPolarHBondContact O-CB 3.35Å; L668-H672 PolarHBondContact O-N 3.4Å
669	K	32	Very low	29.8	Very low	106 Å²	106	110.8 Å²	110.8	46%	0.461	61%	0.613	S	S	.	*	H	α-helix	trans	-72.2	-22.5	171.3	-77.1	176.9	-178.9	174.4	0	113.7	N665 N666 N673	N665-K669 WeakPolarHBondContact O-CB 3.23Å; N665-K669 VanDerWaalsContact O-CG 3.28Å; N665-K669 WeakPolarHBondContact O-CG 3.45Å; N665-K669 PolarHBondContact O-N 3.34Å; N666-K669 PolarHBondContact O-N 3.36Å; K669-N673 VanDerWaalsContact O-CB 3.3Å; K669-N673 WeakPolarHBondContact O-CB 3.35Å; K669-N673 PolarHBondContact O-N 3.3Å; K669-N673 PolarHBondContact O-ND2 2.92Å; K669-N673 PolarHBondContact O-OD1 3.16Å
670	S	32.6	Very low	29.8	Very low	77 Å²	77	110.8 Å²	110.8	54%	0.538	61%	0.612	S	S	.	*	H	α-helix	trans	-72.6	-52.9	169.7	-175.9	0	0	0	0	110.6	N666 I667 L668 H672 N673 S674	N666-S670 VanDerWaalsContact O-CB 3.24Å; N666-S670 WeakPolarHBondContact O-CB 3.28Å; N666-S670 PolarHBondContact O-N 2.82Å; I667-S670 WeakPolarHBondContact O-CB 3.45Å; I667-S670 PolarHBondContact O-N 2.88Å; L668-S670 VanDerWaalsContact C-N 3.31Å; S670-H672 PolarHBondContact O-N 3.2Å; S670-N673 CarbonylContact O-C 3.52Å; S670-N673 WeakPolarHBondContact O-CA 3.49Å; S670-N673 PolarHBondContact O-N 3.37Å; S670-S674 PolarHBondContact O-N 3.16Å
671	L	30.7	Very low	29.7	Very low	100 Å²	100	110.7 Å²	110.7	52%	0.524	60%	0.601	S	S	.	*	H	α-helix	trans	-62.5	-39.5	179	-69.3	166.4	0	0	0	112.8	I667 N673 S674	I667-L671 HydrophobicContact CG2-CD1 3.86Å; I667-L671 WeakPolarHBondContact O-CB 3.48Å; I667-L671 WeakPolarHBondContact O-CG 3.48Å; I667-L671 PolarHBondContact O-N 2.69Å; L671-N673 PolarHBondContact O-N 2.9Å; L671-S674 PolarHBondContact O-N 2.99Å; L671-S674 PolarHBondContact O-OG 2.99Å; L671-S674 VanDerWaalsContact O-OG 3.11Å
672	H	31.1	Very low	29.7	Very low	119 Å²	119	110.7 Å²	110.7	55%	0.551	60%	0.601	S	S	*	*	H	α-helix	trans	-70.8	-16.3	174.6	-164.3	-47.5	0	0	0	112.7	L668 S670	L668-H672 WeakPolarHBondContact O-CB 3.35Å; L668-H672 PolarHBondContact O-N 3.4Å; S670-H672 PolarHBondContact O-N 3.2Å
673	N	32.5	Very low	29.8	Very low	92 Å²	92	110 Å²	110	49%	0.492	61%	0.607	S	S	.	*	H	α-helix	trans	-96.2	-21.2	175	-76.2	6.9	0	0	0	113	R218 K669 S670 L671	R218-N673 PolarHBondContact NH2-OD1 3.33Å; R218-N673 VanDerWaalsContact NH2-OD1 3.17Å; K669-N673 VanDerWaalsContact O-CB 3.3Å; K669-N673 WeakPolarHBondContact O-CB 3.35Å; K669-N673 PolarHBondContact O-N 3.3Å; K669-N673 PolarHBondContact O-ND2 2.92Å; K669-N673 PolarHBondContact O-OD1 3.16Å; S670-N673 CarbonylContact O-C 3.52Å; S670-N673 WeakPolarHBondContact O-CA 3.49Å; S670-N673 PolarHBondContact O-N 3.37Å; L671-N673 PolarHBondContact O-N 2.9Å
674	S	33.8	Very low	29.6	Very low	65 Å²	65	113.7 Å²	113.7	46%	0.455	62%	0.621	S	S	.	*	H	α-helix	trans	-77.4	-32.1	176.5	62.6	0	0	0	0	113.2	S670 L671 L676	S670-S674 PolarHBondContact O-N 3.16Å; L671-S674 PolarHBondContact O-N 2.99Å; L671-S674 PolarHBondContact O-OG 2.99Å; L671-S674 VanDerWaalsContact O-OG 3.11Å; S674-L676 PolarHBondContact O-N 2.9Å
675	Y	28.3	Very low	29.6	Very low	181 Å²	181	116.5 Å²	116.5	71%	0.71	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	4.6	179.8	-113.5	-100.6	0	0	0	115.4
676	L	28.4	Very low	29.6	Very low	142 Å²	142	118.6 Å²	118.6	74%	0.743	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	12.3	-177.4	-89.5	167.7	0	0	0	114.7	S674	S674-L676 PolarHBondContact O-N 2.9Å
677	S	29.1	Very low	29.5	Very low	72 Å²	72	120.2 Å²	120.2	50%	0.503	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.8	-46.3	177.1	-137.7	0	0	0	0	114.1	C679	S677-C679 PolarHBondContact O-N 3.47Å
678	D	26.9	Very low	29.3	Very low	139 Å²	139	119.7 Å²	119.7	74%	0.743	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	56.1	-159.8	-63.2	-36.8	0	0	0	115.7
679	C	25	Very low	29.1	Very low	114 Å²	114	119.1 Å²	119.1	77%	0.77	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	20.2	148	-92.2	0	0	0	0	112.1	K591 S677	K591-C679 PolarHBondContact NZ-SG 3.06Å; S677-C679 PolarHBondContact O-N 3.47Å
680	I	27.3	Very low	28.8	Very low	135 Å²	135	123.2 Å²	123.2	69%	0.692	70%	0.695	S	S	*	*	S	Bend	trans	-69.8	152.3	154.2	-67.3	176.4	0	0	0	108.2
681	Y	27.9	Very low	28.6	Very low	176 Å²	176	125 Å²	125	69%	0.69	70%	0.702	S	S	*	*			trans	-5	132.4	174.5	-84.7	-102.7	0	0	0	118.6	S683	Y681-S683 PolarHBondContact O-N 3.5Å
682	G	24.7	Very low	28.4	Very low	79 Å²	79	125.8 Å²	125.8	81%	0.814	71%	0.712	S	S	*	*			trans	-55.8	129.8	163.4	0	0	0	0	0	111.2
683	S	28.5	Very low	28.4	Very low	115 Å²	115	126.1 Å²	126.1	80%	0.804	72%	0.718	S	S	*	*			trans	-118	124	171.9	36.4	0	0	0	0	108.2	Y681	Y681-S683 PolarHBondContact O-N 3.5Å
684	D	27.7	Very low	28.3	Very low	150 Å²	150	129 Å²	129	80%	0.802	73%	0.728	S	S	*	*			trans	-77.2	151.2	179.2	-55	-68.4	0	0	0	111.3
685	E	27.7	Very low	28.1	Very low	189 Å²	189	132.8 Å²	132.8	88%	0.883	74%	0.742	S	S	*	*			trans	61.5	105.3	153	-65.8	173.2	174.1	0	0	120.8
686	I	29.9	Very low	28.2	Very low	160 Å²	160	129.4 Å²	129.4	82%	0.821	74%	0.743	S	S	*	*			trans	-62.5	152.4	145.9	0.1	175.6	0	0	0	109.1
687	P	32.7	Very low	28.1	Very low	126 Å²	126	129.7 Å²	129.7	82%	0.818	74%	0.742	S	S	*	*				-159.5	155.8	70.1	40.1	-18.6	0	0	0	120.1
688	G	27.8	Very low	28.2	Very low	76 Å²	76	133 Å²	133	78%	0.784	75%	0.754	S	S	*	*			trans	82.6	169.6	144	0	0	0	0	0	119.5
689	S	26.7	Very low	28.3	Very low	89 Å²	89	131.7 Å²	131.7	62%	0.622	75%	0.747	S	S	*	*			cis	-163.1	150.2	-13.4	79.4	0	0	0	0	113.4
690	K	26.1	Very low	28.5	Very low	192 Å²	192	134.7 Å²	134.7	84%	0.835	75%	0.747	S	S	*	*			trans	67.7	164.8	161.7	-51.6	155.8	-170.9	167.2	0	114.6
691	T	28.8	Very low	28.6	Very low	113 Å²	113	134.8 Å²	134.8	69%	0.693	75%	0.749	S	S	*	*			cis	-139.7	122.4	12.5	43.8	0	0	0	0	111.4
692	T	26.3	Very low	28.7	Very low	117 Å²	117	131.4 Å²	131.4	72%	0.718	75%	0.751	S	S	*	*				73.8	163.7	105.4	72.8	0	0	0	0	118.9
693	N	30.1	Very low	28.9	Very low	126 Å²	126	133.8 Å²	133.8	67%	0.674	75%	0.75	S	S	*	*			trans	85	131.2	170.5	-52.2	2.6	0	0	0	115.4
694	H	31.6	Very low	29.1	Very low	152 Å²	152	133.8 Å²	133.8	70%	0.704	75%	0.747	S	S	*	*			cis	-149.4	135.5	-11.8	-88.1	-58.2	0	0	0	107
695	L	28.2	Very low	29.1	Very low	145 Å²	145	132.6 Å²	132.6	76%	0.759	75%	0.746	S	S	*	*				58	146.9	89.3	-81	160.6	0	0	0	116
696	P	31.4	Very low	29.4	Very low	111 Å²	111	128.3 Å²	128.3	72%	0.721	73%	0.734	S	S	*	*			cis	-141.5	164.7	-2.8	41.8	-23.1	0	0	0	119.3
697	M	26	Very low	29.4	Very low	147 Å²	147	127.3 Å²	127.3	72%	0.724	73%	0.731	S	S	*	*			trans	12.8	139.5	144.8	-63.1	-63.2	-174.4	0	0	124.5
698	N	31.5	Very low	29.1	Very low	142 Å²	142	125.4 Å²	125.4	76%	0.759	72%	0.72	S	S	*	*				-175.3	119.7	107.2	-90.6	-35.5	0	0	0	110.3
699	N	28.2	Very low	29.2	Very low	112 Å²	112	130.9 Å²	130.9	60%	0.599	72%	0.719	S	S	*	*				74.1	111.2	75.3	-80.8	-26.9	0	0	0	115.6
700	F	30.5	Very low	29.4	Very low	176 Å²	176	135.6 Å²	135.6	77%	0.772	73%	0.728	S	S	*	*				173.5	130.9	106.7	-95.2	-70.1	0	0	0	113.3
701	N	28.8	Very low	29.4	Very low	138 Å²	138	133.2 Å²	133.2	74%	0.738	72%	0.724	S	S	*	*			trans	31.4	147.6	138.1	-62.8	7.7	0	0	0	121.8
702	S	30.1	Very low	29.6	Very low	104 Å²	104	133.5 Å²	133.5	73%	0.727	73%	0.727	S	S	*	*			cis	-172.2	153.9	6.6	35.9	0	0	0	0	114.4
703	T	28.5	Very low	29.7	Very low	129 Å²	129	132.8 Å²	132.8	79%	0.791	72%	0.723	S	S	*	*			trans	-1.9	165.6	147.5	52.3	0	0	0	0	123.1
704	P	32.3	Very low	29.8	Very low	115 Å²	115	133.4 Å²	133.4	75%	0.747	73%	0.726	S	S	*	*			cis	-144	-173	-16.1	34.8	-11	0	0	0	117.9
705	T	27.4	Very low	29.5	Very low	125 Å²	125	133 Å²	133	77%	0.767	73%	0.729	S	S	*	*			trans	-51.1	-173	165.3	55.5	0	0	0	0	119.3
706	P	34.6	Very low	29.6	Very low	100 Å²	100	131.4 Å²	131.4	65%	0.649	73%	0.73	S	S	*	*			cis	-140.8	-164.3	-25.4	28	-2.1	0	0	0	115.7
707	N	30.8	Very low	29.5	Very low	139 Å²	139	130.6 Å²	130.6	74%	0.743	73%	0.727	S	S	*	*			trans	115.9	117.6	136.5	-75.9	-14.2	0	0	0	123.3
708	S	26.2	Very low	29.6	Very low	85 Å²	85	131 Å²	131	59%	0.594	73%	0.727	S	S	*	*			trans	52.9	152.3	140.5	55.2	0	0	0	0	121.9
709	Y	30.2	Very low	29.5	Very low	192 Å²	192	132.5 Å²	132.5	75%	0.753	73%	0.734	S	S	*	*				-172.8	124.7	78.6	-97.7	-91.4	0	0	0	114.9
710	F	30.3	Very low	29.3	Very low	188 Å²	188	132.6 Å²	132.6	83%	0.825	73%	0.734	S	S	*	*			trans	79.6	151	140.9	-83.6	-122.7	0	0	0	125.6
711	L	26	Very low	29.1	Very low	142 Å²	142	130.4 Å²	130.4	74%	0.743	73%	0.731	S	S	*	*			trans	-113.7	167.9	173.8	-77.4	91	0	0	0	111.6	T713	L711-T713 HydrophobicContact CB-CG2 4.5Å
712	P	33.3	Very low	29.2	Very low	118 Å²	118	131.4 Å²	131.4	77%	0.766	73%	0.728	S	S	*	*				-139.2	137.9	102.6	21.7	-1.3	0	0	0	113.4
713	T	28.3	Very low	29.2	Very low	103 Å²	103	132.4 Å²	132.4	63%	0.632	73%	0.725	S	S	*	*				79	109.1	54.9	64.9	0	0	0	0	117.6	L711	L711-T713 HydrophobicContact CB-CG2 4.5Å
714	N	30.8	Very low	29.4	Very low	138 Å²	138	131.8 Å²	131.8	74%	0.738	72%	0.717	S	S	*	*			trans	164.5	124.8	136.2	-86.1	-34	0	0	0	110.2
715	N	26.2	Very low	29.4	Very low	144 Å²	144	132.7 Å²	132.7	77%	0.77	72%	0.715	S	S	*	*				65.4	129.9	77.4	-67.2	-36.7	0	0	0	113.4
716	S	30.2	Very low	29.5	Very low	111 Å²	111	133.7 Å²	133.7	78%	0.776	72%	0.715	S	S	*	*			cis	-162.9	-163.8	-1.6	53.8	0	0	0	0	108.3
717	S	30.5	Very low	29.3	Very low	94 Å²	94	135.5 Å²	135.5	66%	0.657	72%	0.719	S	S	*	*			cis	-165.7	150.7	13.1	56.3	0	0	0	0	113.5
718	H	27.3	Very low	29.3	Very low	157 Å²	157	134.4 Å²	134.4	73%	0.727	72%	0.718	S	S	*	*			trans	40.8	129.8	140.4	-75.8	-92.5	0	0	0	124.6
719	L	29	Very low	29.5	Very low	173 Å²	173	135.7 Å²	135.7	91%	0.906	73%	0.727	S	S	*	*			trans	153.4	95	135.2	-85.8	163.3	0	0	0	108.4
720	L	24.9	Very low	29.4	Very low	113 Å²	113	130.9 Å²	130.9	59%	0.592	72%	0.721	S	S	*	*			cis	86	113.1	28.2	-138.9	-178.4	0	0	0	114.3
721	N	26.5	Very low	29.4	Very low	131 Å²	131	128.9 Å²	128.9	70%	0.701	72%	0.718	S	S	*	*			trans	75.1	152.4	166.8	-84.3	-19.2	0	0	0	117.7
722	K	30	Very low	29.3	Very low	159 Å²	159	127.6 Å²	127.6	69%	0.691	72%	0.716	S	S	*	*			cis	-160.2	170.6	11.9	-135.2	172.4	-174.1	-179.4	0	113.5
723	N	31.1	Very low	29	Very low	124 Å²	124	128.5 Å²	128.5	66%	0.663	72%	0.723	S	S	*	*			trans	72.5	145.9	155.7	-62.1	-2.7	0	0	0	117.2
724	N	31.1	Very low	28.9	Very low	117 Å²	117	132.7 Å²	132.7	63%	0.626	74%	0.736	S	S	*	*			cis	-164.8	154.5	-5	-115.7	10	0	0	0	112
725	I	32.2	Very low	28.8	Very low	134 Å²	134	131.3 Å²	131.3	69%	0.687	74%	0.743	S	S	*	*			trans	66.3	134.1	143.4	-62.2	165.8	0	0	0	117.4
726	D	30.1	Very low	28.9	Very low	146 Å²	146	130.7 Å²	130.7	78%	0.781	75%	0.75	S	S	*	*				179.9	-171.2	-61	-74.9	-38.6	0	0	0	103.7
727	D	31.3	Very low	28.8	Very low	137 Å²	137	128.7 Å²	128.7	73%	0.733	75%	0.747	S	S	*	*			cis	-155.5	171.3	0.4	-173.5	16.4	0	0	0	107.9
728	T	30.2	Very low	28.8	Very low	116 Å²	116	131.6 Å²	131.6	71%	0.712	76%	0.755	S	S	*	*			trans	67.2	144.1	166.5	74.5	0	0	0	0	118.1
729	S	29.7	Very low	28.9	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	76%	0.763	S	S	*	*			cis	-174.7	168.1	-16.8	64.2	0	0	0	0	106.3
730	S	29.5	Very low	29.2	Very low	91 Å²	91	132.7 Å²	132.7	64%	0.636	76%	0.758	S	S	*	*			cis	-156.3	164.2	2.6	65.1	0	0	0	0	110
731	I	29.2	Very low	29.7	Very low	146 Å²	146	131.3 Å²	131.3	75%	0.749	76%	0.758	S	S	*	*			trans	49.2	101.7	154	-56.2	156.4	0	0	0	116.4
732	V	24.7	Very low	30.1	Very low	115 Å²	115	129 Å²	129	70%	0.697	76%	0.756	S	S	*	*			cis	66.8	98.3	47.4	-168.6	0	0	0	0	115.5
733	C	27.2	Very low	30.3	Very low	137 Å²	137	128.3 Å²	128.3	93%	0.926	76%	0.756	S	S	*	*			trans	-142.6	127.1	138.8	-96.7	0	0	0	0	108.6
734	Q	26	Very low	30.5	Very low	191 Å²	191	124.8 Å²	124.8	89%	0.893	74%	0.74	S	S	*	*			trans	-108.3	137.2	-176.8	-68	179.1	-11.5	0	0	110.9
735	A	29.1	Very low	30.8	Very low	109 Å²	109	124.6 Å²	124.6	90%	0.901	74%	0.74	S	S	*	*			trans	-136.3	131.9	157.8	0	0	0	0	0	108
736	S	27.8	Very low	31.2	Very low	130 Å²	130	124.7 Å²	124.7	91%	0.909	74%	0.735	S	S	*	*			trans	-98.6	132.6	-162.3	54.3	0	0	0	0	114
737	G	28.7	Very low	31.5	Very low	69 Å²	69	123.8 Å²	123.8	71%	0.711	73%	0.726	S	S	*	*			trans	-164.8	122.3	167.4	0	0	0	0	0	112.9
738	N	29.6	Very low	31.8	Very low	156 Å²	156	122 Å²	122	83%	0.834	72%	0.716	S	S	*	*			trans	42.3	82.9	166.8	-65.4	-3.4	0	0	0	118.4	N740	N738-N740 PolarHBondContact O-N 2.87Å
739	K	29	Very low	32.4	Very low	205 Å²	205	121.8 Å²	121.8	89%	0.891	71%	0.706	S	S	*	*			trans	-71.8	115.2	147.9	-66.1	-178.9	179.9	-178.4	0	108.2
740	N	34.9	Very low	32.9	Very low	148 Å²	148	120.4 Å²	120.4	79%	0.791	69%	0.689	S	S	*	*			trans	-172.5	-16.4	162.4	-98.7	-13.7	0	0	0	113.5	N738	N738-N740 PolarHBondContact O-N 2.87Å
741	S	35.3	Very low	33.6	Very low	84 Å²	84	120.1 Å²	120.1	59%	0.587	68%	0.678	S	S	*	*	H	α-helix	trans	-89.1	-16.8	-178.7	50	0	0	0	0	115.5	S744	S741-S744 PolarHBondContact O-OG 3.4Å
742	A	36.8	Very low	34.2	Very low	81 Å²	81	119.4 Å²	119.4	67%	0.669	67%	0.67	S	S	*	*	H	α-helix	trans	-81.8	-14.1	-175.9	0	0	0	0	0	114.1
743	E	33.8	Very low	35.2	Very low	146 Å²	146	118.7 Å²	118.7	68%	0.682	66%	0.658	S	S	*	*	H	α-helix	trans	-87.8	-38.7	-177.2	-148.3	118.1	-130.4	0	0	110.9	D745 K746 Q747	E743-D745 PolarHBondContact O-N 3.13Å; E743-K746 WeakPolarHBondContact O-CB 3.44Å; E743-K746 PolarHBondContact O-N 3.24Å; E743-K746 VanDerWaalsContact O-N 3.15Å; E743-Q747 PolarHBondContact O-N 2.93Å
744	S	35.4	Very low	36	Very low	49 Å²	49	116 Å²	116	34%	0.343	64%	0.638	S	S	.	*	H	α-helix	trans	-62.8	-38.1	173.8	49.6	0	0	0	0	113	S741 K746 Q747 N748	S741-S744 PolarHBondContact O-OG 3.4Å; S744-K746 PolarHBondContact O-N 3.11Å; S744-Q747 PolarHBondContact O-N 2.97Å; S744-N748 WeakPolarHBondContact O-CB 3.47Å; S744-N748 PolarHBondContact O-N 3.41Å; S744-N748 PolarHBondContact O-ND2 3.01Å
745	D	35.7	Very low	36.8	Very low	114 Å²	114	112.1 Å²	112.1	61%	0.61	62%	0.615	S	S	*	*	H	α-helix	trans	-69.6	-25	177.1	-72.9	-2.6	0	0	0	111.9	E743 K749	E743-D745 PolarHBondContact O-N 3.13Å; D745-K749 WeakPolarHBondContact O-CB 3.47Å; D745-K749 PolarHBondContact O-N 3.42Å
746	K	41.5	Very low	37.4	Very low	136 Å²	136	110.4 Å²	110.4	59%	0.591	59%	0.591	S	S	*	*	H	α-helix	trans	-77.5	-48.6	174	-142.7	179.9	-177.5	-169.7	0	111.1	E743 S744 N748 K749 D750	E743-K746 WeakPolarHBondContact O-CB 3.44Å; E743-K746 PolarHBondContact O-N 3.24Å; E743-K746 VanDerWaalsContact O-N 3.15Å; S744-K746 PolarHBondContact O-N 3.11Å; K746-N748 VanDerWaalsContact C-N 3.34Å; K746-N748 PolarHBondContact O-N 3.33Å; K746-K749 WeakPolarHBondContact O-CB 3.23Å; K746-K749 PolarHBondContact O-N 3.23Å; K746-D750 VanDerWaalsContact O-CG 3.31Å; K746-D750 PolarHBondContact O-N 2.87Å
747	Q	36.5	Very low	38.2	Very low	127 Å²	127	110.1 Å²	110.1	59%	0.593	58%	0.579	S	S	*	*	H	α-helix	trans	-57.1	-44.5	173.1	-70.9	-173.5	-72.9	0	0	112.1	E743 S744 K749 D750 E751	E743-Q747 PolarHBondContact O-N 2.93Å; S744-Q747 PolarHBondContact O-N 2.97Å; Q747-K749 PolarHBondContact O-N 3.44Å; Q747-D750 PolarHBondContact O-N 3.36Å; Q747-E751 WeakPolarHBondContact O-CB 3.27Å; Q747-E751 WeakPolarHBondContact O-CG 3.33Å; Q747-E751 PolarHBondContact O-N 3.09Å
748	N	38.4	Very low	38.8	Very low	98 Å²	98	110.8 Å²	110.8	52%	0.524	57%	0.565	S	S	.	*	H	α-helix	trans	-61.1	-30.3	175.8	-81.6	-49.5	0	0	0	113.3	S744 K746 K752	S744-N748 WeakPolarHBondContact O-CB 3.47Å; S744-N748 PolarHBondContact O-N 3.41Å; S744-N748 PolarHBondContact O-ND2 3.01Å; K746-N748 VanDerWaalsContact C-N 3.34Å; K746-N748 PolarHBondContact O-N 3.33Å; N748-K752 VanDerWaalsContact O-CB 3.31Å; N748-K752 WeakPolarHBondContact O-CB 3.37Å; N748-K752 PolarHBondContact O-N 3.22Å; N748-K752 VanDerWaalsContact O-N 3.16Å
749	K	42.5	Very low	39.4	Very low	113 Å²	113	107.1 Å²	107.1	49%	0.491	55%	0.545	S	S	.	.	H	α-helix	trans	-76.8	-44.9	175.9	-171.8	174.5	177.2	-64.6	0	111.6	D745 K746 Q747 K752 E753	D745-K749 WeakPolarHBondContact O-CB 3.47Å; D745-K749 PolarHBondContact O-N 3.42Å; K746-K749 WeakPolarHBondContact O-CB 3.23Å; K746-K749 PolarHBondContact O-N 3.23Å; Q747-K749 PolarHBondContact O-N 3.44Å; K749-K752 PolarHBondContact O-N 3.31Å; K749-K752 VanDerWaalsContact O-N 3.14Å; K749-E753 IonicContact NZ-OE1 3.9Å; K749-E753 PolarHBondContact NZ-OE1 3.33Å; K749-E753 IonicContact NZ-OE2 2.7Å; K749-E753 PolarHBondContact O-N 2.99Å
750	D	40.8	Very low	40.1	Very low	84 Å²	84	101.4 Å²	101.4	45%	0.449	53%	0.525	S	S	.	.	H	α-helix	trans	-67.8	-37.9	179	-60.1	-19.7	0	0	0	111.2	K746 Q747 K752 T754	K746-D750 VanDerWaalsContact O-CG 3.31Å; K746-D750 PolarHBondContact O-N 2.87Å; Q747-D750 PolarHBondContact O-N 3.36Å; D750-K752 VanDerWaalsContact C-N 3.35Å; D750-T754 WeakPolarHBondContact O-CB 3.42Å; D750-T754 WeakPolarHBondContact O-CG2 3.39Å; D750-T754 PolarHBondContact O-N 3.5Å; D750-T754 PolarHBondContact O-OG1 3.11Å
751	E	42.9	Very low	40.7	Very low	85 Å²	85	102.4 Å²	102.4	40%	0.397	52%	0.517	S	S	.	.	H	α-helix	trans	-63.9	-36.8	169.3	-76.5	-164.7	178.8	0	0	112.5	Q747 T754 R755	Q747-E751 WeakPolarHBondContact O-CB 3.27Å; Q747-E751 WeakPolarHBondContact O-CG 3.33Å; Q747-E751 PolarHBondContact O-N 3.09Å; E751-T754 VanDerWaalsContact CA-OG1 3.28Å; E751-T754 WeakPolarHBondContact CA-OG1 3.16Å; E751-T754 PolarHBondContact O-OG1 3.05Å; E751-T754 VanDerWaalsContact O-OG1 3.09Å; E751-R755 VanDerWaalsContact CB-NH1 3.34Å; E751-R755 WeakPolarHBondContact O-CB 3.36Å; E751-R755 VanDerWaalsContact O-CG 3.23Å; E751-R755 WeakPolarHBondContact O-CG 3.44Å; E751-R755 PolarHBondContact O-N 3.12Å; E751-R755 IonicContact OE2-CZ 2.62Å; E751-R755 IonicContact OE2-NH1 3.24Å; E751-R755 PolarHBondContact OE2-NH1 3.14Å; E751-R755 IonicContact OE2-NH2 2.59Å; E751-R755 PolarHBondContact OE2-NH2 2.84Å
752	K	41.7	Very low	40.9	Very low	131 Å²	131	101.1 Å²	101.1	57%	0.57	51%	0.506	S	S	*	.	H	α-helix	trans	-69.6	-46.3	177.5	-175.4	179.9	175.7	-174	0	110.9	N748 K749 D750 T754 R755 D756	N748-K752 VanDerWaalsContact O-CB 3.31Å; N748-K752 WeakPolarHBondContact O-CB 3.37Å; N748-K752 PolarHBondContact O-N 3.22Å; N748-K752 VanDerWaalsContact O-N 3.16Å; K749-K752 PolarHBondContact O-N 3.31Å; K749-K752 VanDerWaalsContact O-N 3.14Å; D750-K752 VanDerWaalsContact C-N 3.35Å; K752-T754 VanDerWaalsContact C-N 3.31Å; K752-T754 PolarHBondContact O-N 3.07Å; K752-R755 PolarHBondContact O-N 3.14Å; K752-D756 WeakPolarHBondContact O-CB 3.34Å; K752-D756 PolarHBondContact O-N 3.45Å
753	E	46.4	Very low	41.1	Very low	99 Å²	99	98.9 Å²	98.9	46%	0.463	48%	0.482	S	S	.	.	H	α-helix	trans	-62.7	-38.3	178	-75.7	177.7	-159.9	0	0	111.6	K749 D756 L757	K749-E753 IonicContact NZ-OE1 3.9Å; K749-E753 PolarHBondContact NZ-OE1 3.33Å; K749-E753 IonicContact NZ-OE2 2.7Å; K749-E753 PolarHBondContact O-N 2.99Å; E753-D756 PolarHBondContact O-N 3.38Å; E753-L757 WeakPolarHBondContact O-CB 3.33Å; E753-L757 PolarHBondContact O-N 2.74Å
754	T	44.2	Very low	41.7	Very low	80 Å²	80	97.9 Å²	97.9	49%	0.491	48%	0.478	S	S	.	.	H	α-helix	trans	-68.8	-39.4	172.7	47.1	0	0	0	0	113.4	D750 E751 K752 L757 L758	D750-T754 WeakPolarHBondContact O-CB 3.42Å; D750-T754 WeakPolarHBondContact O-CG2 3.39Å; D750-T754 PolarHBondContact O-N 3.5Å; D750-T754 PolarHBondContact O-OG1 3.11Å; E751-T754 VanDerWaalsContact CA-OG1 3.28Å; E751-T754 WeakPolarHBondContact CA-OG1 3.16Å; E751-T754 PolarHBondContact O-OG1 3.05Å; E751-T754 VanDerWaalsContact O-OG1 3.09Å; K752-T754 VanDerWaalsContact C-N 3.31Å; K752-T754 PolarHBondContact O-N 3.07Å; T754-L757 PolarHBondContact O-N 3.08Å; T754-L758 WeakPolarHBondContact O-CB 3.5Å; T754-L758 PolarHBondContact O-N 3.37Å
755	R	42.4	Very low	42	Very low	110 Å²	110	99.7 Å²	99.7	42%	0.415	48%	0.481	S	S	.	.	H	α-helix	trans	-60.8	-43.5	171.4	-77.2	176.4	-173	109.6	4.8	112.1	E751 K752 L758 L759	E751-R755 VanDerWaalsContact CB-NH1 3.34Å; E751-R755 WeakPolarHBondContact O-CB 3.36Å; E751-R755 VanDerWaalsContact O-CG 3.23Å; E751-R755 WeakPolarHBondContact O-CG 3.44Å; E751-R755 PolarHBondContact O-N 3.12Å; E751-R755 IonicContact OE2-CZ 2.62Å; E751-R755 IonicContact OE2-NH1 3.24Å; E751-R755 PolarHBondContact OE2-NH1 3.14Å; E751-R755 IonicContact OE2-NH2 2.59Å; E751-R755 PolarHBondContact OE2-NH2 2.84Å; K752-R755 PolarHBondContact O-N 3.14Å; R755-L758 PolarHBondContact O-N 3.42Å; R755-L759 VanDerWaalsContact O-CB 3.28Å; R755-L759 WeakPolarHBondContact O-CB 3.37Å; R755-L759 PolarHBondContact O-N 3.01Å
756	D	41	Very low	42.3	Very low	73 Å²	73	98.3 Å²	98.3	39%	0.39	47%	0.47	S	S	.	.	H	α-helix	trans	-67.7	-36.9	177.5	-77.2	-33.3	0	0	0	111.4	K752 E753 N760	K752-D756 WeakPolarHBondContact O-CB 3.34Å; K752-D756 PolarHBondContact O-N 3.45Å; E753-D756 PolarHBondContact O-N 3.38Å; D756-N760 WeakPolarHBondContact O-CB 3.24Å; D756-N760 PolarHBondContact O-N 3.42Å; D756-N760 PolarHBondContact O-ND2 2.87Å; D756-N760 VanDerWaalsContact O-ND2 3.14Å
757	L	45.4	Very low	42.4	Very low	125 Å²	125	94.5 Å²	94.5	65%	0.654	45%	0.454	S	S	*	.	H	α-helix	trans	-65.2	-45.2	173.2	-116.6	158.2	0	0	0	112.6	E753 T754 N760 R761	E753-L757 WeakPolarHBondContact O-CB 3.33Å; E753-L757 PolarHBondContact O-N 2.74Å; T754-L757 PolarHBondContact O-N 3.08Å; L757-N760 PolarHBondContact O-N 3.38Å; L757-R761 WeakPolarHBondContact O-CB 3.39Å; L757-R761 PolarHBondContact O-N 3.26Å
758	L	41.5	Very low	42.8	Very low	82 Å²	82	93.6 Å²	93.6	43%	0.429	45%	0.449	S	S	.	.	H	α-helix	trans	-60.3	-50.8	174.4	-103.8	154.4	0	0	0	110.8	T754 R755 N760 R761 T762 Y866	T754-L758 WeakPolarHBondContact O-CB 3.5Å; T754-L758 PolarHBondContact O-N 3.37Å; R755-L758 PolarHBondContact O-N 3.42Å; L758-N760 VanDerWaalsContact C-N 3.28Å; L758-N760 PolarHBondContact O-N 3Å; L758-R761 WeakPolarHBondContact O-CB 3.49Å; L758-R761 PolarHBondContact O-N 2.88Å; L758-R761 VanDerWaalsContact O-N 3.09Å; L758-T762 PolarHBondContact O-N 3.22Å; L758-T762 PolarHBondContact O-OG1 3.48Å; L758-T762 VanDerWaalsContact O-OG1 3.08Å; L758-Y866 HydrophobicContact CD1-CE2 3.94Å
759	L	41.2	Very low	43	Very low	79 Å²	79	91.5 Å²	91.5	41%	0.414	43%	0.434	S	S	.	.	H	α-helix	trans	-55.6	-44.3	176.7	179.1	62	0	0	0	111.4	R755 T762 I763	R755-L759 VanDerWaalsContact O-CB 3.28Å; R755-L759 WeakPolarHBondContact O-CB 3.37Å; R755-L759 PolarHBondContact O-N 3.01Å; L759-T762 PolarHBondContact O-N 2.82Å; L759-I763 VanDerWaalsContact O-CG1 3.27Å; L759-I763 WeakPolarHBondContact O-CG1 3.39Å; L759-I763 PolarHBondContact O-N 3.43Å
760	N	44.9	Very low	42.9	Very low	86 Å²	86	87.5 Å²	87.5	46%	0.46	42%	0.418	S	S	.	.	H	α-helix	trans	-67.2	-35.3	178.4	-70.7	-24.5	0	0	0	112.9	D756 L757 L758 I763 Q764	D756-N760 WeakPolarHBondContact O-CB 3.24Å; D756-N760 PolarHBondContact O-N 3.42Å; D756-N760 PolarHBondContact O-ND2 2.87Å; D756-N760 VanDerWaalsContact O-ND2 3.14Å; L757-N760 PolarHBondContact O-N 3.38Å; L758-N760 VanDerWaalsContact C-N 3.28Å; L758-N760 PolarHBondContact O-N 3Å; N760-I763 HydrophobicContact CB-CD1 4.47Å; N760-I763 PolarHBondContact O-N 3.28Å; N760-I763 WeakPolarHBondContact OD1-CD1 3.34Å; N760-Q764 PolarHBondContact O-N 3.24Å; N760-Q764 VanDerWaalsContact O-N 3.08Å
761	R	46.5	Very low	43.1	Very low	168 Å²	168	88.8 Å²	88.8	63%	0.634	42%	0.42	S	S	*	.	H	α-helix	trans	-67.7	-39.5	173.4	-164.5	175.4	-172	175.1	1.6	112.2	L757 L758 Q764 Q765	L757-R761 WeakPolarHBondContact O-CB 3.39Å; L757-R761 PolarHBondContact O-N 3.26Å; L758-R761 WeakPolarHBondContact O-CB 3.49Å; L758-R761 PolarHBondContact O-N 2.88Å; L758-R761 VanDerWaalsContact O-N 3.09Å; R761-Q764 PolarHBondContact O-N 3.42Å; R761-Q765 PolarHBondContact O-N 3.17Å
762	T	39.3	Very low	43.2	Very low	58 Å²	58	86.6 Å²	86.6	36%	0.356	42%	0.416	S	S	.	.	H	α-helix	trans	-65.7	-39	175.5	-52.7	0	0	0	0	112	L758 L759 Q765 F766	L758-T762 PolarHBondContact O-N 3.22Å; L758-T762 PolarHBondContact O-OG1 3.48Å; L758-T762 VanDerWaalsContact O-OG1 3.08Å; L759-T762 PolarHBondContact O-N 2.82Å; T762-Q765 PolarHBondContact O-N 3.15Å; T762-F766 PolarHBondContact O-N 3.3Å
763	I	41.1	Very low	43.1	Very low	34 Å²	34	85.1 Å²	85.1	17%	0.174	41%	0.407	C	S	.	.	H	α-helix	trans	-55.1	-55.2	168.6	-58.1	155.2	0	0	0	108.8	L759 N760 Q765 F766 E767 K918	L759-I763 VanDerWaalsContact O-CG1 3.27Å; L759-I763 WeakPolarHBondContact O-CG1 3.39Å; L759-I763 PolarHBondContact O-N 3.43Å; N760-I763 HydrophobicContact CB-CD1 4.47Å; N760-I763 PolarHBondContact O-N 3.28Å; N760-I763 WeakPolarHBondContact OD1-CD1 3.34Å; I763-Q765 PolarHBondContact O-N 3.4Å; I763-F766 CarbonylContact O-C 3.54Å; I763-F766 WeakPolarHBondContact O-CA 3.5Å; I763-F766 WeakPolarHBondContact O-CB 3.18Å; I763-F766 PolarHBondContact O-N 2.87Å; I763-E767 HydrophobicContact CG2-CG 3.95Å; I763-E767 VanDerWaalsContact O-CG 3.29Å; I763-E767 WeakPolarHBondContact O-CG 3.36Å; I763-E767 PolarHBondContact O-N 2.8Å; I763-K918 HydrophobicContact CD1-CD 3.63Å; I763-K918 HydrophobicContact CD1-CG 4.42Å; I763-K918 HydrophobicContact CG1-CD 3.88Å; I763-K918 HydrophobicContact CG1-CG 4.14Å
764	Q	47	Very low	42.8	Very low	125 Å²	125	83.2 Å²	83.2	58%	0.584	41%	0.405	S	S	*	.	H	α-helix	trans	-58.8	-34.2	-173.5	-167.5	177.8	5.8	0	0	112.7	N760 R761 E767 E768	N760-Q764 PolarHBondContact O-N 3.24Å; N760-Q764 VanDerWaalsContact O-N 3.08Å; R761-Q764 PolarHBondContact O-N 3.42Å; Q764-E767 WeakPolarHBondContact O-CB 3.24Å; Q764-E768 WeakPolarHBondContact O-CG 3.43Å; Q764-E768 PolarHBondContact O-N 2.85Å
765	Q	42.1	Very low	42.6	Very low	87 Å²	87	83.7 Å²	83.7	41%	0.407	40%	0.404	S	S	.	.	H	α-helix	trans	-73	-39.9	173.8	-69.2	177.7	-59.9	0	0	112.6	R761 T762 I763 E767 E768 Y769	R761-Q765 PolarHBondContact O-N 3.17Å; T762-Q765 PolarHBondContact O-N 3.15Å; I763-Q765 PolarHBondContact O-N 3.4Å; Q765-E767 VanDerWaalsContact C-N 3.29Å; Q765-E767 PolarHBondContact O-N 3.33Å; Q765-E768 PolarHBondContact O-N 2.99Å; Q765-Y769 PolarHBondContact O-N 3.13Å
766	F	40.9	Very low	42.4	Very low	85 Å²	85	81.2 Å²	81.2	37%	0.373	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-35.2	171.6	-175.2	-95.5	0	0	0	112	T762 I763 E768 Y769 M770 F856	T762-F766 PolarHBondContact O-N 3.3Å; I763-F766 CarbonylContact O-C 3.54Å; I763-F766 WeakPolarHBondContact O-CA 3.5Å; I763-F766 WeakPolarHBondContact O-CB 3.18Å; I763-F766 PolarHBondContact O-N 2.87Å; F766-E768 VanDerWaalsContact C-N 3.32Å; F766-E768 PolarHBondContact O-N 3.25Å; F766-Y769 PolarHBondContact O-N 2.96Å; F766-M770 HydrophobicContact CD1-CG 4.05Å; F766-M770 HydrophobicContact CE1-CG 3.6Å; F766-M770 HydrophobicContact CE1-SD 4.31Å; F766-M770 HydrophobicContact CZ-CG 3.88Å; F766-M770 HydrophobicContact CZ-SD 4.04Å; F766-M770 WeakPolarHBondContact O-CG 3.01Å; F766-M770 PolarHBondContact O-N 3.41Å; F766-F856 HydrophobicContact CD2-CE2 4.44Å
767	E	43	Very low	42.2	Very low	55 Å²	55	80.2 Å²	80.2	26%	0.257	40%	0.396	S	S	.	.	H	α-helix	trans	-61.8	-37.6	173.4	-64.8	-153.1	179.8	0	0	113.1	I763 Q764 Q765 K771 K914	I763-E767 HydrophobicContact CG2-CG 3.95Å; I763-E767 VanDerWaalsContact O-CG 3.29Å; I763-E767 WeakPolarHBondContact O-CG 3.36Å; I763-E767 PolarHBondContact O-N 2.8Å; Q764-E767 WeakPolarHBondContact O-CB 3.24Å; Q765-E767 VanDerWaalsContact C-N 3.29Å; Q765-E767 PolarHBondContact O-N 3.33Å; E767-K771 VanDerWaalsContact O-CG 3.3Å; E767-K771 WeakPolarHBondContact O-CG 3.39Å; E767-K771 PolarHBondContact O-N 3.34Å; E767-K771 VanDerWaalsContact O-N 3.14Å; E767-K914 HydrophobicContact CB-CD 4.13Å; E767-K914 HydrophobicContact CG-CB 4.49Å; E767-K914 HydrophobicContact CG-CD 3.6Å; E767-K914 WeakPolarHBondContact OE1-CD 3.48Å; E767-K914 WeakPolarHBondContact OE2-CD 3.48Å; E767-K914 IonicContact OE2-NZ 3.66Å; E767-K914 PolarHBondContact OE2-NZ 3.22Å
768	E	46.3	Very low	41.9	Very low	108 Å²	108	76.5 Å²	76.5	51%	0.505	38%	0.381	S	S	.	.	H	α-helix	trans	-72.4	-40.6	177.3	-63.7	-87.2	96.1	0	0	110.3	Q764 Q765 F766 K771 A772	Q764-E768 WeakPolarHBondContact O-CG 3.43Å; Q764-E768 PolarHBondContact O-N 2.85Å; Q765-E768 PolarHBondContact O-N 2.99Å; F766-E768 VanDerWaalsContact C-N 3.32Å; F766-E768 PolarHBondContact O-N 3.25Å; E768-K771 WeakPolarHBondContact O-CB 3.24Å; E768-K771 PolarHBondContact O-N 3.48Å; E768-K771 IonicContact OE1-NZ 4Å; E768-K771 PolarHBondContact OE1-NZ 3.13Å; E768-A772 WeakPolarHBondContact O-CB 3.32Å; E768-A772 PolarHBondContact O-N 3.44Å
769	Y	41.7	Very low	41.6	Very low	54 Å²	54	75.7 Å²	75.7	21%	0.212	38%	0.376	C	S	.	.	H	α-helix	trans	-59.7	-47.2	173.2	179.5	-91.7	0	0	0	111.9	Q765 F766 K771 A772 Y773 F856	Q765-Y769 PolarHBondContact O-N 3.13Å; F766-Y769 PolarHBondContact O-N 2.96Å; Y769-K771 PolarHBondContact O-N 2.99Å; Y769-A772 PolarHBondContact O-N 3.14Å; Y769-A772 VanDerWaalsContact O-N 3.16Å; Y769-Y773 WeakPolarHBondContact O-CB 3.02Å; Y769-Y773 PolarHBondContact O-N 2.93Å; Y769-F856 HydrophobicContact CD1-CD2 4.27Å; Y769-F856 AromaticContact CD1-CE2 3.99Å; Y769-F856 HydrophobicContact CD1-CE2 3.99Å; Y769-F856 AromaticContact CD2-CD2 3.63Å; Y769-F856 HydrophobicContact CD2-CD2 3.63Å; Y769-F856 HydrophobicContact CD2-CE2 4.19Å; Y769-F856 HydrophobicContact CD2-CG 4.38Å; Y769-F856 HydrophobicContact CE1-CD2 4.34Å; Y769-F856 HydrophobicContact CE1-CE2 4.05Å; Y769-F856 HydrophobicContact CE2-CB 4.28Å; Y769-F856 AromaticContact CE2-CD2 3.69Å; Y769-F856 HydrophobicContact CE2-CD2 3.69Å; Y769-F856 HydrophobicContact CE2-CE2 4.24Å; Y769-F856 HydrophobicContact CE2-CG 4.08Å; Y769-F856 AromaticContact CG-CD2 3.94Å; Y769-F856 HydrophobicContact CG-CD2 3.94Å; Y769-F856 HydrophobicContact CG-CE2 4.06Å
770	M	40	Very low	41.3	Very low	30 Å²	30	75.6 Å²	75.6	15%	0.148	38%	0.379	C	S	.	.	H	α-helix	trans	-64.2	-38.2	177.3	-72.5	-61.5	-69.6	0	0	112.3	F766 S774 D910	F766-M770 HydrophobicContact CD1-CG 4.05Å; F766-M770 HydrophobicContact CE1-CG 3.6Å; F766-M770 HydrophobicContact CE1-SD 4.31Å; F766-M770 HydrophobicContact CZ-CG 3.88Å; F766-M770 HydrophobicContact CZ-SD 4.04Å; F766-M770 WeakPolarHBondContact O-CG 3.01Å; F766-M770 PolarHBondContact O-N 3.41Å; M770-S774 VanDerWaalsContact O-CB 3.25Å; M770-S774 WeakPolarHBondContact O-CB 3.35Å; M770-S774 PolarHBondContact O-N 3.14Å; M770-D910 WeakPolarHBondContact CE-OD1 3.48Å
771	K	46.5	Very low	40.7	Very low	111 Å²	111	76.4 Å²	76.4	48%	0.483	39%	0.387	S	S	.	.	H	α-helix	trans	-58.6	-48.6	169.8	-72.3	171.3	-166.2	172.2	0	111.2	E767 E768 Y769 S774 L775	E767-K771 VanDerWaalsContact O-CG 3.3Å; E767-K771 WeakPolarHBondContact O-CG 3.39Å; E767-K771 PolarHBondContact O-N 3.34Å; E767-K771 VanDerWaalsContact O-N 3.14Å; E768-K771 WeakPolarHBondContact O-CB 3.24Å; E768-K771 PolarHBondContact O-N 3.48Å; E768-K771 IonicContact OE1-NZ 4Å; E768-K771 PolarHBondContact OE1-NZ 3.13Å; Y769-K771 PolarHBondContact O-N 2.99Å; K771-S774 PolarHBondContact O-N 3.46Å; K771-L775 WeakPolarHBondContact O-CB 3.26Å; K771-L775 PolarHBondContact O-N 3.09Å
772	A	43.9	Very low	40.2	Very low	38 Å²	38	72.3 Å²	72.3	31%	0.314	38%	0.381	S	S	.	.	H	α-helix	trans	-65.5	-38.8	-177.7	0	0	0	0	0	112.3	E768 Y769 L775 Q776 L852	E768-A772 WeakPolarHBondContact O-CB 3.32Å; E768-A772 PolarHBondContact O-N 3.44Å; Y769-A772 PolarHBondContact O-N 3.14Å; Y769-A772 VanDerWaalsContact O-N 3.16Å; A772-L775 PolarHBondContact O-N 3.4Å; A772-Q776 PolarHBondContact O-N 3.01Å; A772-L852 HydrophobicContact CB-CD1 4.25Å
773	Y	40.1	Very low	39.9	Very low	100 Å²	100	72.8 Å²	72.8	39%	0.392	38%	0.378	S	S	.	.	H	α-helix	trans	-67.7	-42.6	175.5	-170.5	-92.6	0	0	0	112	Y769 L775 Q776 S777	Y769-Y773 WeakPolarHBondContact O-CB 3.02Å; Y769-Y773 PolarHBondContact O-N 2.93Å; Y773-L775 VanDerWaalsContact C-N 3.34Å; Y773-Q776 PolarHBondContact O-N 3.43Å; Y773-S777 PolarHBondContact O-N 3.3Å
774	S	40.7	Very low	39.4	Very low	60 Å²	60	74.9 Å²	74.9	42%	0.42	40%	0.395	S	S	.	.	H	α-helix	trans	-61.9	-39.7	172.2	-178.5	0	0	0	0	112.2	M770 K771 Q776 S777 S778	M770-S774 VanDerWaalsContact O-CB 3.25Å; M770-S774 WeakPolarHBondContact O-CB 3.35Å; M770-S774 PolarHBondContact O-N 3.14Å; K771-S774 PolarHBondContact O-N 3.46Å; S774-Q776 VanDerWaalsContact C-N 3.35Å; S774-S777 PolarHBondContact O-N 3.19Å; S774-S777 PolarHBondContact O-OG 2.93Å; S774-S777 VanDerWaalsContact O-OG 3.13Å; S774-S778 WeakPolarHBondContact O-CB 3.43Å; S774-S778 PolarHBondContact O-N 3.04Å; S774-S778 PolarHBondContact O-OG 3.18Å
775	L	40.3	Very low	38.6	Very low	90 Å²	90	75.2 Å²	75.2	47%	0.471	40%	0.4	S	S	.	.	H	α-helix	trans	-65.1	-38.7	173.3	-149.2	83.7	0	0	0	111.3	K771 A772 Y773 S778 L779 W833	K771-L775 WeakPolarHBondContact O-CB 3.26Å; K771-L775 PolarHBondContact O-N 3.09Å; A772-L775 PolarHBondContact O-N 3.4Å; Y773-L775 VanDerWaalsContact C-N 3.34Å; L775-S778 WeakPolarHBondContact CA-OG 3.47Å; L775-S778 PolarHBondContact O-OG 3.26Å; L775-S778 VanDerWaalsContact O-OG 3.09Å; L775-L779 HydrophobicContact CG-CD1 4.14Å; L775-L779 WeakPolarHBondContact O-CB 3.31Å; L775-L779 WeakPolarHBondContact O-CD1 3.39Å; L775-L779 PolarHBondContact O-N 2.99Å; L775-W833 HydrophobicContact CD2-CH2 4.03Å
776	Q	38.1	Very low	38.2	Very low	58 Å²	58	77.2 Å²	77.2	27%	0.271	41%	0.41	S	S	.	.	H	α-helix	trans	-68	-46.9	175.4	-167.2	-172.4	5.2	0	0	111.7	A772 Y773 S774 S778 L779 T780 L849	A772-Q776 PolarHBondContact O-N 3.01Å; Y773-Q776 PolarHBondContact O-N 3.43Å; S774-Q776 VanDerWaalsContact C-N 3.35Å; Q776-S778 VanDerWaalsContact C-N 3.35Å; Q776-S778 PolarHBondContact O-N 2.92Å; Q776-L779 PolarHBondContact O-N 3.42Å; Q776-T780 HydrophobicContact CG-CG2 4.46Å; Q776-T780 PolarHBondContact O-N 3.14Å; Q776-T780 PolarHBondContact O-OG1 2.79Å; Q776-L849 VanDerWaalsContact OE1-CD1 3.24Å
777	S	36.7	Very low	37.8	Very low	51 Å²	51	76.2 Å²	76.2	36%	0.357	41%	0.408	S	S	.	.	H	α-helix	trans	-62.2	-44.3	-177.4	69.9	0	0	0	0	111	Y773 S774 T780 T781	Y773-S777 PolarHBondContact O-N 3.3Å; S774-S777 PolarHBondContact O-N 3.19Å; S774-S777 PolarHBondContact O-OG 2.93Å; S774-S777 VanDerWaalsContact O-OG 3.13Å; S777-T780 WeakPolarHBondContact CA-OG1 3.2Å; S777-T780 PolarHBondContact O-N 3.44Å; S777-T780 PolarHBondContact O-OG1 3.3Å; S777-T781 PolarHBondContact O-N 2.75Å; S777-T781 PolarHBondContact O-OG1 3.14Å; S777-T781 VanDerWaalsContact O-OG1 3.07Å
778	S	37.4	Very low	37.2	Very low	48 Å²	48	79.5 Å²	79.5	34%	0.336	43%	0.427	S	S	.	.	H	α-helix	trans	-63.9	-41.1	172.7	55.7	0	0	0	0	113.3	S774 L775 Q776 T780 T781 V782	S774-S778 WeakPolarHBondContact O-CB 3.43Å; S774-S778 PolarHBondContact O-N 3.04Å; S774-S778 PolarHBondContact O-OG 3.18Å; L775-S778 WeakPolarHBondContact CA-OG 3.47Å; L775-S778 PolarHBondContact O-OG 3.26Å; L775-S778 VanDerWaalsContact O-OG 3.09Å; Q776-S778 VanDerWaalsContact C-N 3.35Å; Q776-S778 PolarHBondContact O-N 2.92Å; S778-T780 VanDerWaalsContact C-N 3.31Å; S778-T780 PolarHBondContact O-N 3.35Å; S778-T781 PolarHBondContact O-N 2.79Å; S778-T781 PolarHBondContact O-OG1 2.71Å; S778-V782 WeakPolarHBondContact O-CB 3.44Å; S778-V782 VanDerWaalsContact O-CG2 3.28Å; S778-V782 WeakPolarHBondContact O-CG2 3.42Å; S778-V782 PolarHBondContact O-N 3.46Å
779	L	35.7	Very low	36.6	Very low	65 Å²	65	80.8 Å²	80.8	34%	0.34	44%	0.437	S	S	.	.	H	α-helix	trans	-61.8	-37.8	171.6	-99.2	82.2	0	0	0	112	L775 Q776 K783	L775-L779 HydrophobicContact CG-CD1 4.14Å; L775-L779 WeakPolarHBondContact O-CB 3.31Å; L775-L779 WeakPolarHBondContact O-CD1 3.39Å; L775-L779 PolarHBondContact O-N 2.99Å; Q776-L779 PolarHBondContact O-N 3.42Å; L779-K783 HydrophobicContact CD2-CD 4.31Å; L779-K783 HydrophobicContact CG-CD 4.26Å; L779-K783 WeakPolarHBondContact O-CB 3.31Å; L779-K783 WeakPolarHBondContact O-CG 3.41Å; L779-K783 PolarHBondContact O-N 3.24Å; L779-K783 VanDerWaalsContact O-N 3.08Å
780	T	35.1	Very low	36.2	Very low	76 Å²	76	83.5 Å²	83.5	47%	0.466	46%	0.459	S	S	.	.	H	α-helix	trans	-73.6	-34.6	179.2	51.3	0	0	0	0	113.7	Q776 S777 S778	Q776-T780 HydrophobicContact CG-CG2 4.46Å; Q776-T780 PolarHBondContact O-N 3.14Å; Q776-T780 PolarHBondContact O-OG1 2.79Å; S777-T780 WeakPolarHBondContact CA-OG1 3.2Å; S777-T780 PolarHBondContact O-N 3.44Å; S777-T780 PolarHBondContact O-OG1 3.3Å; S778-T780 VanDerWaalsContact C-N 3.31Å; S778-T780 PolarHBondContact O-N 3.35Å
781	T	32.9	Very low	35.8	Very low	103 Å²	103	88 Å²	88	63%	0.632	48%	0.483	S	S	*	.	H	α-helix	trans	-77.4	-35.1	177.1	48.2	0	0	0	0	112.6	S777 S778	S777-T781 PolarHBondContact O-N 2.75Å; S777-T781 PolarHBondContact O-OG1 3.14Å; S777-T781 VanDerWaalsContact O-OG1 3.07Å; S778-T781 PolarHBondContact O-N 2.79Å; S778-T781 PolarHBondContact O-OG1 2.71Å
782	V	35.8	Very low	35.1	Very low	82 Å²	82	87.3 Å²	87.3	50%	0.497	49%	0.492	S	S	.	.	H	α-helix	trans	-78.7	-36.5	179.5	176.9	0	0	0	0	112.3	S778	S778-V782 WeakPolarHBondContact O-CB 3.44Å; S778-V782 VanDerWaalsContact O-CG2 3.28Å; S778-V782 WeakPolarHBondContact O-CG2 3.42Å; S778-V782 PolarHBondContact O-N 3.46Å
783	K	31.8	Very low	34.4	Very low	69 Å²	69	92.4 Å²	92.4	30%	0.3	51%	0.514	S	S	.	.	H	α-helix	trans	-91.2	-4.9	-169.1	-68.1	-177.6	171.9	176.8	0	116.7	L779 I787	L779-K783 HydrophobicContact CD2-CD 4.31Å; L779-K783 HydrophobicContact CG-CD 4.26Å; L779-K783 WeakPolarHBondContact O-CB 3.31Å; L779-K783 WeakPolarHBondContact O-CG 3.41Å; L779-K783 PolarHBondContact O-N 3.24Å; L779-K783 VanDerWaalsContact O-N 3.08Å; K783-I787 HydrophobicContact CB-CD1 3.68Å; K783-I787 HydrophobicContact CB-CG1 4.2Å; K783-I787 HydrophobicContact CD-CD1 4.08Å; K783-I787 HydrophobicContact CG-CD1 3.93Å; K783-I787 VanDerWaalsContact O-CB 3.32Å; K783-I787 WeakPolarHBondContact O-CB 3.41Å; K783-I787 VanDerWaalsContact O-CG1 3.3Å; K783-I787 WeakPolarHBondContact O-CG1 3.27Å
784	C	30.6	Very low	33.9	Very low	78 Å²	78	94.4 Å²	94.4	53%	0.527	53%	0.531	S	S	.	.	H	α-helix	trans	-82.1	-30.6	178.3	-79.1	0	0	0	0	114.5	N788	C784-N788 PolarHBondContact O-ND2 3.24Å
785	N	30.4	Very low	33.2	Very low	131 Å²	131	101.3 Å²	101.3	70%	0.701	55%	0.554	S	S	*	*	H	α-helix	trans	-94.2	-33.3	-174.7	-69.5	-9.8	0	0	0	113.4
786	E	33.8	Very low	32.6	Very low	130 Å²	130	101.4 Å²	101.4	61%	0.607	56%	0.562	S	S	*	*	H	α-helix	trans	-84.4	-39.1	-178.5	-61.6	-172.8	149.1	0	0	112.9	N788 N789 V790	E786-N788 VanDerWaalsContact C-N 3.3Å; E786-N788 PolarHBondContact O-N 3.12Å; E786-N789 PolarHBondContact O-N 3.16Å; E786-V790 PolarHBondContact O-N 2.94Å
787	I	32.6	Very low	32.1	Very low	64 Å²	64	106.7 Å²	106.7	33%	0.328	59%	0.591	S	S	.	*	H	α-helix	trans	-65.8	-31.9	-173.1	-66.1	-166.4	0	0	0	112.6	K783 N789 V790 I791	K783-I787 HydrophobicContact CB-CD1 3.68Å; K783-I787 HydrophobicContact CB-CG1 4.2Å; K783-I787 HydrophobicContact CD-CD1 4.08Å; K783-I787 HydrophobicContact CG-CD1 3.93Å; K783-I787 VanDerWaalsContact O-CB 3.32Å; K783-I787 WeakPolarHBondContact O-CB 3.41Å; K783-I787 VanDerWaalsContact O-CG1 3.3Å; K783-I787 WeakPolarHBondContact O-CG1 3.27Å; I787-N789 PolarHBondContact O-N 3.33Å; I787-V790 PolarHBondContact O-N 3.06Å; I787-I791 HydrophobicContact CG2-CD1 3.36Å; I787-I791 HydrophobicContact CG2-CG1 3.93Å; I787-I791 WeakPolarHBondContact O-CG1 3.45Å; I787-I791 PolarHBondContact O-N 3.35Å
788	N	31.5	Very low	31.6	Very low	124 Å²	124	113.9 Å²	113.9	66%	0.663	62%	0.616	S	S	*	*	H	α-helix	trans	-66.3	-23.9	176	-76.3	-50.6	0	0	0	113.3	C784 E786	C784-N788 PolarHBondContact O-ND2 3.24Å; E786-N788 VanDerWaalsContact C-N 3.3Å; E786-N788 PolarHBondContact O-N 3.12Å
789	N	32.8	Very low	31.1	Very low	135 Å²	135	121.1 Å²	121.1	72%	0.722	64%	0.641	S	S	*	*	H	α-helix	trans	-91.2	-27	178.2	-69.9	-28.6	0	0	0	113	E786 I787	E786-N789 PolarHBondContact O-N 3.16Å; I787-N789 PolarHBondContact O-N 3.33Å
790	V	32.9	Very low	30.8	Very low	110 Å²	110	123.2 Å²	123.2	67%	0.667	66%	0.662	S	S	*	*	H	α-helix	trans	-86.6	-31.4	-177.2	177.9	0	0	0	0	113	E786 I787 S792	E786-V790 PolarHBondContact O-N 2.94Å; I787-V790 PolarHBondContact O-N 3.06Å; V790-S792 VanDerWaalsContact C-N 3.26Å; V790-S792 PolarHBondContact O-N 3.18Å
791	I	31.5	Very low	30.4	Very low	125 Å²	125	124.3 Å²	124.3	64%	0.641	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-13.9	-172.5	-77.8	-174.6	0	0	0	114.7	I787 N793	I787-I791 HydrophobicContact CG2-CD1 3.36Å; I787-I791 HydrophobicContact CG2-CG1 3.93Å; I787-I791 WeakPolarHBondContact O-CG1 3.45Å; I787-I791 PolarHBondContact O-N 3.35Å; I791-N793 VanDerWaalsContact C-N 3.26Å; I791-N793 PolarHBondContact O-N 3.44Å
792	S	32.5	Very low	30.1	Very low	97 Å²	97	129.2 Å²	129.2	68%	0.678	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-20.2	-179.7	-64.6	0	0	0	0	114.6	V790	V790-S792 VanDerWaalsContact C-N 3.26Å; V790-S792 PolarHBondContact O-N 3.18Å
793	N	28.5	Very low	29.6	Very low	144 Å²	144	132.7 Å²	132.7	77%	0.77	70%	0.695	S	S	*	*	S	Bend	trans	-131.9	77.3	-172.1	-73.2	-31.3	0	0	0	113.4	I791	I791-N793 VanDerWaalsContact C-N 3.26Å; I791-N793 PolarHBondContact O-N 3.44Å
794	D	29.8	Very low	29.3	Very low	143 Å²	143	133.5 Å²	133.5	77%	0.765	72%	0.715	S	S	*	*				-165.8	158.8	125.7	-136	-44.2	0	0	0	113.4
795	K	26.5	Very low	29	Very low	205 Å²	205	135.4 Å²	135.4	89%	0.891	73%	0.729	S	S	*	*			trans	-138.5	75.1	178.2	-73.1	-179.2	-179.6	168.1	0	112
796	S	26.9	Very low	29.3	Very low	91 Å²	91	134.5 Å²	134.5	64%	0.636	73%	0.731	S	S	*	*			trans	-147.9	164.4	169.8	68.5	0	0	0	0	114.8
797	L	29.4	Very low	29	Very low	170 Å²	170	135.7 Å²	135.7	89%	0.89	74%	0.741	S	S	*	*			trans	67.1	96.1	164.9	-64.9	162	0	0	0	119.5
798	K	25	Very low	28.9	Very low	201 Å²	201	138.8 Å²	138.8	87%	0.874	76%	0.763	S	S	*	*			trans	-109.7	143.6	150.6	-64.5	177.1	176.8	179.4	0	109.3
799	K	27.3	Very low	28.8	Very low	201 Å²	201	136.4 Å²	136.4	87%	0.874	77%	0.768	S	S	*	*			trans	166.1	156.9	130.5	-94.7	171.2	177.1	-176.6	0	115
800	S	29.9	Very low	28.5	Very low	109 Å²	109	136.5 Å²	136.5	76%	0.762	77%	0.773	S	S	*	*			trans	63.8	134.3	167.6	39.3	0	0	0	0	119.4
801	S	26.2	Very low	28.3	Very low	98 Å²	98	138.7 Å²	138.7	69%	0.685	78%	0.78	S	S	*	*			cis	93.4	140	12.5	85.5	0	0	0	0	116.8
802	Y	25.7	Very low	28.2	Very low	206 Å²	206	137.1 Å²	137.1	81%	0.808	78%	0.78	S	S	*	*			cis	-172.9	159.4	2.8	-121.8	-11.4	0	0	0	113.7
803	L	25.3	Very low	27.9	Very low	155 Å²	155	137.4 Å²	137.4	81%	0.812	77%	0.774	S	S	*	*			trans	65.1	160.4	151.6	-61	165.4	0	0	0	119.7
804	A	26.5	Very low	27.7	Very low	87 Å²	87	137 Å²	137	72%	0.719	77%	0.771	S	S	*	*			cis	-171.4	155.8	-27.7	0	0	0	0	0	115.2
805	S	24.5	Very low	27.7	Very low	118 Å²	118	137.1 Å²	137.1	83%	0.825	78%	0.777	S	S	*	*			trans	70.6	141.1	148.3	-143.7	0	0	0	0	124.8
806	P	35.1	Very low	27.5	Very low	112 Å²	112	134.1 Å²	134.1	73%	0.727	76%	0.764	S	S	*	*			trans	-121.6	179.4	173.4	44.1	-34	0	0	0	116.1
807	N	29.4	Very low	27.4	Very low	155 Å²	155	134.7 Å²	134.7	83%	0.829	77%	0.768	S	S	*	*			trans	175.7	167.1	163	-96.8	-10.6	0	0	0	110.4
808	T	28.6	Very low	27.2	Very low	129 Å²	129	131.3 Å²	131.3	79%	0.791	76%	0.759	S	S	*	*			cis	-171.3	154.6	-26.6	29.4	0	0	0	0	110.1
809	G	30.5	Very low	27.2	Very low	73 Å²	73	131.9 Å²	131.9	75%	0.753	76%	0.762	S	S	*	*			trans	175.4	155	170.3	0	0	0	0	0	114.6
810	T	27.3	Very low	27	Very low	137 Å²	137	128 Å²	128	84%	0.84	76%	0.76	S	S	*	*			trans	-147.1	169.8	-165.6	51	0	0	0	0	116.3
811	I	27.9	Very low	26.7	Very low	157 Å²	157	126.6 Å²	126.6	81%	0.805	76%	0.755	S	S	*	*			trans	124.3	114.3	172	-71	159.8	0	0	0	109.8
812	S	28.8	Very low	26.7	Very low	92 Å²	92	131.3 Å²	131.3	64%	0.643	76%	0.763	S	S	*	*				79.5	125.4	52.6	175.7	0	0	0	0	112.6
813	D	25.9	Very low	26.7	Very low	103 Å²	103	126.9 Å²	126.9	55%	0.551	76%	0.76	S	S	*	*			cis	-156.5	-179.8	-3.7	-105.6	-45.8	0	0	0	112.6	K816	D813-K816 WeakPolarHBondContact OD1-CE 3.3Å; D813-K816 IonicContact OD1-NZ 2.78Å; D813-K816 PolarHBondContact OD1-NZ 2.91Å
814	D	25.7	Very low	26.7	Very low	134 Å²	134	125.9 Å²	125.9	72%	0.717	76%	0.76	S	S	*	*	S	Bend	trans	54.8	111.2	168.6	-55.8	-24.6	0	0	0	118.4
815	V	28.3	Very low	26.6	Very low	147 Å²	147	126.6 Å²	126.6	89%	0.891	76%	0.758	S	S	*	*	S	Bend	cis	-127.8	129.6	35.9	172.5	0	0	0	0	112.3
816	K	23.9	Very low	26.8	Very low	142 Å²	142	124.8 Å²	124.8	62%	0.617	74%	0.743	S	S	*	*			trans	-99.6	155.5	-179.1	-71.7	156.2	-175.6	156.7	0	111	D813	D813-K816 WeakPolarHBondContact OD1-CE 3.3Å; D813-K816 IonicContact OD1-NZ 2.78Å; D813-K816 PolarHBondContact OD1-NZ 2.91Å
817	S	24.5	Very low	26.7	Very low	103 Å²	103	128.4 Å²	128.4	72%	0.72	75%	0.747	S	S	*	*			cis	-171	120.2	-13.2	47.8	0	0	0	0	111
818	S	24.2	Very low	26.9	Very low	99 Å²	99	126.7 Å²	126.7	69%	0.692	74%	0.738	S	S	*	*	S	Bend	trans	-178.4	164.4	159.3	-87.6	0	0	0	0	110
819	F	25.3	Very low	27.1	Very low	213 Å²	213	124 Å²	124	93%	0.934	72%	0.719	S	S	*	*	S	Bend	trans	67.5	32	168.4	-59.3	-74.7	0	0	0	120.2
820	S	22.9	Very low	27	Very low	119 Å²	119	125.9 Å²	125.9	83%	0.832	71%	0.711	S	S	*	*			trans	-148.7	41	171.4	69.2	0	0	0	0	118.3
821	A	25.3	Very low	27.3	Very low	79 Å²	79	125.5 Å²	125.5	65%	0.653	70%	0.703	S	S	*	*			trans	-161.9	151.2	158.4	0	0	0	0	0	107.6
822	F	24.5	Very low	27.7	Very low	197 Å²	197	125 Å²	125	86%	0.864	70%	0.696	S	S	*	*	S	Bend	cis	-140.1	-169	15.8	-82.2	-91.3	0	0	0	110.7
823	P	25.4	Very low	27.7	Very low	114 Å²	114	128.9 Å²	128.9	74%	0.74	70%	0.696	S	S	*	*				-86.4	157.7	-98.1	37.6	-24	0	0	0	114	C825	P823-C825 PolarHBondContact O-N 3.37Å
824	V	25.3	Very low	27.8	Very low	133 Å²	133	132.8 Å²	132.8	81%	0.806	71%	0.708	S	S	*	*			trans	-75.2	106.4	161.5	177.2	0	0	0	0	107.9	T826	V824-T826 PolarHBondContact O-N 2.95Å; V824-T826 VanDerWaalsContact O-N 3.11Å
825	C	26.1	Very low	28.3	Very low	102 Å²	102	134.7 Å²	134.7	69%	0.689	71%	0.713	S	S	*	*			trans	-67.2	108.3	173.5	-168.2	0	0	0	0	109.1	P823	P823-C825 PolarHBondContact O-N 3.37Å
826	T	28.9	Very low	28.4	Very low	81 Å²	81	130.5 Å²	130.5	50%	0.497	69%	0.687	S	S	.	*			trans	-82.1	163.4	-178.4	68.8	0	0	0	0	111.1	V824 N828	V824-T826 PolarHBondContact O-N 2.95Å; V824-T826 VanDerWaalsContact O-N 3.11Å; T826-N828 PolarHBondContact O-N 3.42Å
827	K	31.4	Very low	29	Very low	188 Å²	188	131 Å²	131	82%	0.817	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-2.9	-172.8	-144.4	175.3	-176.4	-178.5	0	115.3
828	N	34	Very low	29.7	Very low	119 Å²	119	130.2 Å²	130.2	64%	0.636	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-13.8	-169.9	-63.3	8.3	0	0	0	114.4	T826 L830	T826-N828 PolarHBondContact O-N 3.42Å; N828-L830 PolarHBondContact O-N 3.24Å
829	D	32.3	Very low	30.3	Very low	73 Å²	73	133.7 Å²	133.7	39%	0.39	69%	0.689	S	S	.	*	G	3₁₀ helix	trans	-76.7	-8	179.9	-77.1	-60.4	0	0	0	113.6	D831 K832	D829-D831 VanDerWaalsContact C-N 3.34Å; D829-D831 PolarHBondContact O-N 3.07Å; D829-K832 IonicContact OD1-NZ 3.18Å; D829-K832 PolarHBondContact OD1-NZ 3.34Å
830	L	30.2	Very low	31.2	Very low	112 Å²	112	128 Å²	128	59%	0.586	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-67.8	-27.3	173.5	-76.1	163.9	0	0	0	113.6	N828 K832 W833	N828-L830 PolarHBondContact O-N 3.24Å; L830-K832 VanDerWaalsContact C-N 3.3Å; L830-K832 PolarHBondContact O-N 2.75Å; L830-W833 WeakPolarHBondContact O-CB 3.36Å; L830-W833 PolarHBondContact O-N 2.8Å
831	D	32.4	Very low	31.8	Very low	129 Å²	129	125.9 Å²	125.9	69%	0.69	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-74.8	-20.2	-177.8	-67.5	-33.3	0	0	0	112.9	D829 W833	D829-D831 VanDerWaalsContact C-N 3.34Å; D829-D831 PolarHBondContact O-N 3.07Å; D831-W833 VanDerWaalsContact C-N 3.31Å
832	K	37.2	Very low	32.4	Very low	147 Å²	147	126.7 Å²	126.7	64%	0.639	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-75.3	-19.6	173.5	-67.9	174.2	-169.5	149.1	0	113.1	D829 L830 F834	D829-K832 IonicContact OD1-NZ 3.18Å; D829-K832 PolarHBondContact OD1-NZ 3.34Å; L830-K832 VanDerWaalsContact C-N 3.3Å; L830-K832 PolarHBondContact O-N 2.75Å; K832-F834 PolarHBondContact O-N 3.15Å
833	W	29.2	Very low	33.3	Very low	173 Å²	173	123.7 Å²	123.7	66%	0.655	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-66.4	-25.2	-174.4	-117.6	54.8	0	0	0	113.2	L775 L830 D831 H835	L775-W833 HydrophobicContact CD2-CH2 4.03Å; L830-W833 WeakPolarHBondContact O-CB 3.36Å; L830-W833 PolarHBondContact O-N 2.8Å; D831-W833 VanDerWaalsContact C-N 3.31Å; W833-H835 PolarHBondContact O-N 2.87Å
834	F	28.1	Very low	33.9	Very low	184 Å²	184	124.3 Å²	124.3	81%	0.807	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-79.9	-9.2	-172	-84.2	-84.9	0	0	0	116.1	K832	K832-F834 PolarHBondContact O-N 3.15Å
835	H	34.3	Very low	34.4	Very low	174 Å²	174	120.1 Å²	120.1	81%	0.806	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-114.8	4	-167.8	-99.4	-52.4	0	0	0	117.1	W833	W833-H835 PolarHBondContact O-N 2.87Å
836	V	32.3	Very low	35.3	Very low	60 Å²	60	119.1 Å²	119.1	36%	0.364	58%	0.579	S	S	.	*			trans	-89.2	128	-177.2	-175.2	0	0	0	0	111.8	D840 Q841	V836-D840 HydrophobicContact CG1-CB 3.65Å; V836-Q841 HydrophobicContact CB-CG 4.15Å; V836-Q841 HydrophobicContact CG1-CG 3.97Å; V836-Q841 WeakPolarHBondContact O-CG 3.41Å; V836-Q841 PolarHBondContact O-NE2 3.36Å
837	Q	36.3	Very low	36.4	Very low	151 Å²	151	121 Å²	121	71%	0.706	58%	0.582	S	S	*	*			trans	-72.3	157.8	-178.7	-67.8	-170.6	-6.1	0	0	113.2	K839 D840 Q841	Q837-K839 VanDerWaalsContact C-N 3.3Å; Q837-K839 PolarHBondContact O-N 3.48Å; Q837-K839 VanDerWaalsContact O-N 3.12Å; Q837-D840 PolarHBondContact O-N 3.36Å; Q837-D840 VanDerWaalsContact O-N 3.09Å; Q837-Q841 PolarHBondContact O-N 3.37Å
838	S	38.2	Very low	36.9	Very low	87 Å²	87	114.9 Å²	114.9	61%	0.608	56%	0.558	S	S	*	*	H	α-helix	trans	-62.3	-23.5	-164.8	57.6	0	0	0	0	116.5
839	K	37.7	Very low	37.2	Very low	173 Å²	173	110.2 Å²	110.2	75%	0.752	53%	0.533	S	S	*	.	H	α-helix	trans	-80	-45.3	172.1	-87.8	-176.2	173.4	176.2	0	112.3	Q837 Q841 L842 Q843	Q837-K839 VanDerWaalsContact C-N 3.3Å; Q837-K839 PolarHBondContact O-N 3.48Å; Q837-K839 VanDerWaalsContact O-N 3.12Å; K839-Q841 VanDerWaalsContact C-N 3.29Å; K839-Q841 PolarHBondContact O-N 2.84Å; K839-L842 PolarHBondContact O-N 2.78Å; K839-Q843 PolarHBondContact O-N 2.62Å; K839-Q843 VanDerWaalsContact O-N 3.11Å
840	D	43.6	Very low	38.2	Very low	93 Å²	93	110.5 Å²	110.5	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-65.1	-37	178.4	-60.5	-30.5	0	0	0	110.5	V836 Q837 L842 Q843 Y844	V836-D840 HydrophobicContact CG1-CB 3.65Å; Q837-D840 PolarHBondContact O-N 3.36Å; Q837-D840 VanDerWaalsContact O-N 3.09Å; D840-L842 PolarHBondContact O-N 3.18Å; D840-Q843 PolarHBondContact O-N 3.12Å; D840-Y844 WeakPolarHBondContact O-CB 3.37Å; D840-Y844 PolarHBondContact O-N 3Å
841	Q	35.4	Very low	38.9	Very low	75 Å²	75	110.7 Å²	110.7	35%	0.35	54%	0.539	S	S	.	.	H	α-helix	trans	-53	-38.9	170.3	-75.6	-172.8	-0.8	0	0	112.9	V836 Q837 K839 S845	V836-Q841 HydrophobicContact CB-CG 4.15Å; V836-Q841 HydrophobicContact CG1-CG 3.97Å; V836-Q841 WeakPolarHBondContact O-CG 3.41Å; V836-Q841 PolarHBondContact O-NE2 3.36Å; Q837-Q841 PolarHBondContact O-N 3.37Å; K839-Q841 VanDerWaalsContact C-N 3.29Å; K839-Q841 PolarHBondContact O-N 2.84Å; Q841-S845 WeakPolarHBondContact O-CB 3.16Å; Q841-S845 PolarHBondContact O-N 3.33Å; Q841-S845 PolarHBondContact O-OG 3.49Å
842	L	37.7	Very low	39.1	Very low	95 Å²	95	107.3 Å²	107.3	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-83.6	-30.6	-173.5	-148.1	153.7	0	0	0	111.7	K839 D840 S845 N846	K839-L842 PolarHBondContact O-N 2.78Å; D840-L842 PolarHBondContact O-N 3.18Å; L842-S845 WeakPolarHBondContact CA-OG 3.41Å; L842-S845 PolarHBondContact O-OG 3.15Å; L842-S845 VanDerWaalsContact O-OG 3.11Å; L842-N846 PolarHBondContact O-N 3.24Å; L842-N846 PolarHBondContact O-ND2 2.85Å
843	Q	42.9	Very low	39.3	Very low	134 Å²	134	105.9 Å²	105.9	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-71.8	-48.7	168.4	-173.4	165.8	-31	0	0	110.8	K839 D840 S845 N846 E847	K839-Q843 PolarHBondContact O-N 2.62Å; K839-Q843 VanDerWaalsContact O-N 3.11Å; D840-Q843 PolarHBondContact O-N 3.12Å; Q843-S845 VanDerWaalsContact C-N 3.33Å; Q843-S845 PolarHBondContact O-N 2.97Å; Q843-N846 PolarHBondContact O-N 2.71Å; Q843-E847 WeakPolarHBondContact O-CB 3.42Å; Q843-E847 PolarHBondContact O-N 3.41Å
844	Y	38.1	Very low	40.2	Very low	128 Å²	128	100.3 Å²	100.3	50%	0.502	50%	0.501	S	S	.	.	H	α-helix	trans	-58.9	-39.4	176.2	-173	-115.8	0	0	0	112.3	D840 N846 E847 I848	D840-Y844 WeakPolarHBondContact O-CB 3.37Å; D840-Y844 PolarHBondContact O-N 3Å; Y844-N846 PolarHBondContact O-N 3.4Å; Y844-E847 PolarHBondContact O-N 3.17Å; Y844-I848 HydrophobicContact CD1-CD1 3.86Å; Y844-I848 HydrophobicContact CD2-CD1 4.43Å; Y844-I848 HydrophobicContact CE1-CD1 3.41Å; Y844-I848 VanDerWaalsContact CE1-CD1 3.41Å; Y844-I848 HydrophobicContact CE1-CG1 4.49Å; Y844-I848 HydrophobicContact CE2-CD1 4.04Å; Y844-I848 HydrophobicContact CE2-CG1 4.43Å; Y844-I848 HydrophobicContact CG-CD1 4.35Å; Y844-I848 VanDerWaalsContact O-CB 3.3Å; Y844-I848 WeakPolarHBondContact O-CB 3.49Å; Y844-I848 WeakPolarHBondContact O-CG1 3.44Å; Y844-I848 PolarHBondContact O-N 2.77Å
845	S	36.3	Very low	40.7	Very low	44 Å²	44	94.6 Å²	94.6	31%	0.308	48%	0.48	S	S	.	.	H	α-helix	trans	-67.5	-34.2	174.6	67.6	0	0	0	0	112.9	Q841 L842 Q843 L849	Q841-S845 WeakPolarHBondContact O-CB 3.16Å; Q841-S845 PolarHBondContact O-N 3.33Å; Q841-S845 PolarHBondContact O-OG 3.49Å; L842-S845 WeakPolarHBondContact CA-OG 3.41Å; L842-S845 PolarHBondContact O-OG 3.15Å; L842-S845 VanDerWaalsContact O-OG 3.11Å; Q843-S845 VanDerWaalsContact C-N 3.33Å; Q843-S845 PolarHBondContact O-N 2.97Å; S845-L849 WeakPolarHBondContact O-CB 3.45Å; S845-L849 PolarHBondContact O-N 3.1Å
846	N	44.4	Very low	40.9	Very low	81 Å²	81	88.9 Å²	88.9	43%	0.433	45%	0.452	S	S	.	.	H	α-helix	trans	-74.7	-34.7	175.2	-82.6	-62.2	0	0	0	112.1	L842 Q843 Y844 L849 S850	L842-N846 PolarHBondContact O-N 3.24Å; L842-N846 PolarHBondContact O-ND2 2.85Å; Q843-N846 PolarHBondContact O-N 2.71Å; Y844-N846 PolarHBondContact O-N 3.4Å; N846-L849 PolarHBondContact O-N 3.01Å; N846-S850 WeakPolarHBondContact O-CB 3.47Å; N846-S850 PolarHBondContact O-N 3.34Å
847	E	51.6	Low	41.2	Very low	120 Å²	120	88.2 Å²	88.2	56%	0.561	45%	0.453	S	S	*	.	H	α-helix	trans	-69.2	-49.7	176.2	-164.7	156.7	-135.8	0	0	110.4	Q843 Y844 L849 S850 Q851	Q843-E847 WeakPolarHBondContact O-CB 3.42Å; Q843-E847 PolarHBondContact O-N 3.41Å; Y844-E847 PolarHBondContact O-N 3.17Å; E847-L849 VanDerWaalsContact C-N 3.32Å; E847-L849 PolarHBondContact O-N 3.48Å; E847-S850 WeakPolarHBondContact O-CB 3.23Å; E847-S850 PolarHBondContact O-N 2.92Å; E847-S850 VanDerWaalsContact O-N 3.13Å; E847-Q851 WeakPolarHBondContact O-CB 3.33Å; E847-Q851 PolarHBondContact O-N 2.87Å
848	I	42.5	Very low	41.5	Very low	60 Å²	60	85.3 Å²	85.3	31%	0.308	44%	0.442	S	S	.	.	H	α-helix	trans	-56.4	-42.7	168.6	-76.6	-179.1	0	0	0	111.3	Y844 S850 Q851 L852	Y844-I848 HydrophobicContact CD1-CD1 3.86Å; Y844-I848 HydrophobicContact CD2-CD1 4.43Å; Y844-I848 HydrophobicContact CE1-CD1 3.41Å; Y844-I848 VanDerWaalsContact CE1-CD1 3.41Å; Y844-I848 HydrophobicContact CE1-CG1 4.49Å; Y844-I848 HydrophobicContact CE2-CD1 4.04Å; Y844-I848 HydrophobicContact CE2-CG1 4.43Å; Y844-I848 HydrophobicContact CG-CD1 4.35Å; Y844-I848 VanDerWaalsContact O-CB 3.3Å; Y844-I848 WeakPolarHBondContact O-CB 3.49Å; Y844-I848 WeakPolarHBondContact O-CG1 3.44Å; Y844-I848 PolarHBondContact O-N 2.77Å; I848-S850 PolarHBondContact O-N 3.45Å; I848-Q851 PolarHBondContact O-N 2.75Å; I848-L852 HydrophobicContact CG2-CD1 3.63Å; I848-L852 HydrophobicContact CG2-CG 4.04Å; I848-L852 VanDerWaalsContact O-CB 3.26Å; I848-L852 WeakPolarHBondContact O-CB 3.49Å; I848-L852 VanDerWaalsContact O-CG 3.28Å; I848-L852 WeakPolarHBondContact O-CG 3.15Å; I848-L852 PolarHBondContact O-N 3.02Å
849	L	40.7	Very low	41.5	Very low	22 Å²	22	84.9 Å²	84.9	12%	0.115	43%	0.431	C	S	.	.	H	α-helix	trans	-67.5	-35.6	177.8	-172.6	76.9	0	0	0	112.2	Q776 S845 N846 E847 Q851 K853	Q776-L849 VanDerWaalsContact OE1-CD1 3.24Å; S845-L849 WeakPolarHBondContact O-CB 3.45Å; S845-L849 PolarHBondContact O-N 3.1Å; N846-L849 PolarHBondContact O-N 3.01Å; E847-L849 VanDerWaalsContact C-N 3.32Å; E847-L849 PolarHBondContact O-N 3.48Å; L849-Q851 VanDerWaalsContact C-N 3.32Å; L849-K853 HydrophobicContact CG-CD 4.19Å; L849-K853 VanDerWaalsContact O-CB 3.23Å; L849-K853 WeakPolarHBondContact O-CB 3.19Å; L849-K853 WeakPolarHBondContact O-CG 3.39Å; L849-K853 PolarHBondContact O-N 2.9Å
850	S	53	Low	41.4	Very low	79 Å²	79	78.6 Å²	78.6	55%	0.552	41%	0.407	S	S	*	.	H	α-helix	trans	-65.9	-39.6	173.9	-169.6	0	0	0	0	110.9	N846 E847 I848 K853 S854	N846-S850 WeakPolarHBondContact O-CB 3.47Å; N846-S850 PolarHBondContact O-N 3.34Å; E847-S850 WeakPolarHBondContact O-CB 3.23Å; E847-S850 PolarHBondContact O-N 2.92Å; E847-S850 VanDerWaalsContact O-N 3.13Å; I848-S850 PolarHBondContact O-N 3.45Å; S850-K853 PolarHBondContact O-N 2.86Å; S850-S854 PolarHBondContact O-N 3.49Å; S850-S854 PolarHBondContact O-OG 3Å
851	Q	46.1	Very low	41.2	Very low	115 Å²	115	77.6 Å²	77.6	54%	0.537	40%	0.402	S	S	.	.	H	α-helix	trans	-70.3	-47.6	178.9	-154.1	158	13.6	0	0	110.9	E847 I848 L849 K853 S854 D855	E847-Q851 WeakPolarHBondContact O-CB 3.33Å; E847-Q851 PolarHBondContact O-N 2.87Å; I848-Q851 PolarHBondContact O-N 2.75Å; L849-Q851 VanDerWaalsContact C-N 3.32Å; Q851-K853 PolarHBondContact O-N 3.34Å; Q851-S854 WeakPolarHBondContact CA-OG 3.21Å; Q851-S854 CarbonylContact O-C 3.57Å; Q851-S854 PolarHBondContact O-N 3.2Å; Q851-S854 VanDerWaalsContact O-N 3.12Å; Q851-S854 PolarHBondContact O-OG 2.81Å; Q851-D855 WeakPolarHBondContact O-CB 3.36Å; Q851-D855 PolarHBondContact O-N 3.36Å
852	L	36.1	Very low	41.5	Very low	58 Å²	58	77.5 Å²	77.5	30%	0.304	41%	0.409	S	S	.	.	H	α-helix	trans	-60.1	-28.6	169.7	-72.5	175.8	0	0	0	112.9	A772 I848 F856	A772-L852 HydrophobicContact CB-CD1 4.25Å; I848-L852 HydrophobicContact CG2-CD1 3.63Å; I848-L852 HydrophobicContact CG2-CG 4.04Å; I848-L852 VanDerWaalsContact O-CB 3.26Å; I848-L852 WeakPolarHBondContact O-CB 3.49Å; I848-L852 VanDerWaalsContact O-CG 3.28Å; I848-L852 WeakPolarHBondContact O-CG 3.15Å; I848-L852 PolarHBondContact O-N 3.02Å; L852-F856 WeakPolarHBondContact O-CA 3.25Å; L852-F856 WeakPolarHBondContact O-CB 3.41Å; L852-F856 PolarHBondContact O-N 3.1Å
853	K	40.8	Very low	41.4	Very low	118 Å²	118	78.2 Å²	78.2	51%	0.513	41%	0.409	S	S	.	.	H	α-helix	trans	-75.9	-38.3	172.5	-81.4	171	179.3	173.5	0	112.6	L849 S850 Q851 D855 A857	L849-K853 HydrophobicContact CG-CD 4.19Å; L849-K853 VanDerWaalsContact O-CB 3.23Å; L849-K853 WeakPolarHBondContact O-CB 3.19Å; L849-K853 WeakPolarHBondContact O-CG 3.39Å; L849-K853 PolarHBondContact O-N 2.9Å; S850-K853 PolarHBondContact O-N 2.86Å; Q851-K853 PolarHBondContact O-N 3.34Å; K853-D855 VanDerWaalsContact C-N 3.33Å; K853-A857 VanDerWaalsContact O-CB 3.28Å; K853-A857 WeakPolarHBondContact O-CB 3.47Å; K853-A857 PolarHBondContact O-N 3.31Å
854	S	47.8	Very low	41.1	Very low	55 Å²	55	73 Å²	73	39%	0.385	39%	0.385	S	S	.	.	H	α-helix	trans	-66.8	-37.6	169.2	51.8	0	0	0	0	111.5	S850 Q851 A857 N858	S850-S854 PolarHBondContact O-N 3.49Å; S850-S854 PolarHBondContact O-OG 3Å; Q851-S854 WeakPolarHBondContact CA-OG 3.21Å; Q851-S854 CarbonylContact O-C 3.57Å; Q851-S854 PolarHBondContact O-N 3.2Å; Q851-S854 VanDerWaalsContact O-N 3.12Å; Q851-S854 PolarHBondContact O-OG 2.81Å; S854-A857 PolarHBondContact O-N 3.31Å; S854-N858 VanDerWaalsContact O-CB 3.27Å; S854-N858 WeakPolarHBondContact O-CB 3.23Å; S854-N858 PolarHBondContact O-N 3.25Å; S854-N858 PolarHBondContact O-ND2 2.88Å; S854-N858 VanDerWaalsContact O-ND2 3.15Å
855	D	39.7	Very low	41.2	Very low	65 Å²	65	70.9 Å²	70.9	35%	0.348	38%	0.382	S	S	.	.	H	α-helix	trans	-73.6	-34.2	179	-64.5	-23.2	0	0	0	111.5	Q851 K853 N858 Q859	Q851-D855 WeakPolarHBondContact O-CB 3.36Å; Q851-D855 PolarHBondContact O-N 3.36Å; K853-D855 VanDerWaalsContact C-N 3.33Å; D855-N858 PolarHBondContact O-N 2.93Å; D855-Q859 WeakPolarHBondContact O-CB 3.33Å; D855-Q859 WeakPolarHBondContact O-CG 3.28Å; D855-Q859 PolarHBondContact O-N 3.05Å
856	F	37.6	Very low	41.3	Very low	53 Å²	53	72.2 Å²	72.2	23%	0.232	38%	0.381	C	S	.	.	H	α-helix	trans	-71.8	-35.9	171.3	-167.5	-85.8	0	0	0	111.5	F766 Y769 L852 Q859 T860	F766-F856 HydrophobicContact CD2-CE2 4.44Å; Y769-F856 HydrophobicContact CD1-CD2 4.27Å; Y769-F856 AromaticContact CD1-CE2 3.99Å; Y769-F856 HydrophobicContact CD1-CE2 3.99Å; Y769-F856 AromaticContact CD2-CD2 3.63Å; Y769-F856 HydrophobicContact CD2-CD2 3.63Å; Y769-F856 HydrophobicContact CD2-CE2 4.19Å; Y769-F856 HydrophobicContact CD2-CG 4.38Å; Y769-F856 HydrophobicContact CE1-CD2 4.34Å; Y769-F856 HydrophobicContact CE1-CE2 4.05Å; Y769-F856 HydrophobicContact CE2-CB 4.28Å; Y769-F856 AromaticContact CE2-CD2 3.69Å; Y769-F856 HydrophobicContact CE2-CD2 3.69Å; Y769-F856 HydrophobicContact CE2-CE2 4.24Å; Y769-F856 HydrophobicContact CE2-CG 4.08Å; Y769-F856 AromaticContact CG-CD2 3.94Å; Y769-F856 HydrophobicContact CG-CD2 3.94Å; Y769-F856 HydrophobicContact CG-CE2 4.06Å; L852-F856 WeakPolarHBondContact O-CA 3.25Å; L852-F856 WeakPolarHBondContact O-CB 3.41Å; L852-F856 PolarHBondContact O-N 3.1Å; F856-Q859 PolarHBondContact O-N 3.39Å; F856-T860 VanDerWaalsContact O-CB 3.25Å; F856-T860 WeakPolarHBondContact O-CB 3.35Å; F856-T860 PolarHBondContact O-N 3.46Å; F856-T860 PolarHBondContact O-OG1 3.03Å
857	A	39.3	Very low	40.8	Very low	46 Å²	46	70.5 Å²	70.5	38%	0.38	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-43.4	170.7	0	0	0	0	0	111.3	K853 S854 T860 N861	K853-A857 VanDerWaalsContact O-CB 3.28Å; K853-A857 WeakPolarHBondContact O-CB 3.47Å; K853-A857 PolarHBondContact O-N 3.31Å; S854-A857 PolarHBondContact O-N 3.31Å; A857-T860 PolarHBondContact O-N 2.93Å; A857-N861 WeakPolarHBondContact O-CB 3.43Å; A857-N861 VanDerWaalsContact O-CG 3.22Å; A857-N861 PolarHBondContact O-N 3.19Å; A857-N861 PolarHBondContact O-ND2 2.79Å
858	N	42.1	Very low	40.1	Very low	90 Å²	90	68.5 Å²	68.5	48%	0.481	36%	0.361	S	S	.	.	H	α-helix	trans	-65.7	-39.6	174.7	-70	-24.8	0	0	0	111.7	S854 D855 N861 S862	S854-N858 VanDerWaalsContact O-CB 3.27Å; S854-N858 WeakPolarHBondContact O-CB 3.23Å; S854-N858 PolarHBondContact O-N 3.25Å; S854-N858 PolarHBondContact O-ND2 2.88Å; S854-N858 VanDerWaalsContact O-ND2 3.15Å; D855-N858 PolarHBondContact O-N 2.93Å; N858-N861 PolarHBondContact O-N 3.48Å; N858-S862 WeakPolarHBondContact O-CB 3.47Å; N858-S862 PolarHBondContact O-N 3.4Å; N858-S862 PolarHBondContact O-OG 2.83Å
859	Q	37.1	Very low	39.9	Very low	79 Å²	79	71.6 Å²	71.6	37%	0.369	37%	0.374	S	S	.	.	H	α-helix	trans	-70.6	-31.3	173.5	-76.3	170.9	23.6	0	0	112.2	D855 F856 F863	D855-Q859 WeakPolarHBondContact O-CB 3.33Å; D855-Q859 WeakPolarHBondContact O-CG 3.28Å; D855-Q859 PolarHBondContact O-N 3.05Å; F856-Q859 PolarHBondContact O-N 3.39Å; Q859-F863 WeakPolarHBondContact O-CA 3.41Å; Q859-F863 WeakPolarHBondContact O-CB 3.37Å; Q859-F863 PolarHBondContact O-N 3.36Å
860	T	36.1	Very low	39.5	Very low	40 Å²	40	73 Å²	73	25%	0.245	39%	0.385	C	S	.	.	H	α-helix	trans	-68.2	-43.8	172.5	-59.8	0	0	0	0	109.8	F856 A857 F863 I864	F856-T860 VanDerWaalsContact O-CB 3.25Å; F856-T860 WeakPolarHBondContact O-CB 3.35Å; F856-T860 PolarHBondContact O-N 3.46Å; F856-T860 PolarHBondContact O-OG1 3.03Å; A857-T860 PolarHBondContact O-N 2.93Å; T860-F863 PolarHBondContact O-N 2.98Å; T860-I864 HydrophobicContact CG2-CD1 4.04Å; T860-I864 WeakPolarHBondContact O-CB 3.25Å; T860-I864 VanDerWaalsContact O-CG1 3.29Å; T860-I864 WeakPolarHBondContact O-CG1 3.34Å; T860-I864 PolarHBondContact O-N 2.85Å
861	N	40.4	Very low	38.4	Very low	73 Å²	73	73.5 Å²	73.5	39%	0.39	38%	0.382	S	S	.	.	H	α-helix	trans	-60.1	-53.5	171.2	-67.3	-27.5	0	0	0	110.4	A857 N858 F863 I864 D865	A857-N861 WeakPolarHBondContact O-CB 3.43Å; A857-N861 VanDerWaalsContact O-CG 3.22Å; A857-N861 PolarHBondContact O-N 3.19Å; A857-N861 PolarHBondContact O-ND2 2.79Å; N858-N861 PolarHBondContact O-N 3.48Å; N861-F863 VanDerWaalsContact C-N 3.31Å; N861-F863 PolarHBondContact O-N 2.83Å; N861-I864 CarbonylContact O-C 3.58Å; N861-I864 WeakPolarHBondContact O-CA 3.44Å; N861-I864 WeakPolarHBondContact O-CB 3.3Å; N861-I864 PolarHBondContact O-N 3.24Å; N861-D865 VanDerWaalsContact O-CG 3.24Å; N861-D865 PolarHBondContact O-N 2.63Å
862	S	40.6	Very low	37.6	Very low	73 Å²	73	73.8 Å²	73.8	51%	0.51	39%	0.387	S	S	.	.	H	α-helix	trans	-64.3	-28.4	178.6	-60.7	0	0	0	0	114.1	N858 I864 Y866	N858-S862 WeakPolarHBondContact O-CB 3.47Å; N858-S862 PolarHBondContact O-N 3.4Å; N858-S862 PolarHBondContact O-OG 2.83Å; S862-I864 VanDerWaalsContact C-N 3.32Å; S862-Y866 WeakPolarHBondContact O-CB 3.27Å; S862-Y866 PolarHBondContact O-N 3.21Å
863	F	36.8	Very low	37.3	Very low	109 Å²	109	76.2 Å²	76.2	48%	0.478	41%	0.409	S	S	.	.	H	α-helix	trans	-71.5	-31.4	171.5	176.5	-114.4	0	0	0	111.1	Q859 T860 N861 I867	Q859-F863 WeakPolarHBondContact O-CA 3.41Å; Q859-F863 WeakPolarHBondContact O-CB 3.37Å; Q859-F863 PolarHBondContact O-N 3.36Å; T860-F863 PolarHBondContact O-N 2.98Å; N861-F863 VanDerWaalsContact C-N 3.31Å; N861-F863 PolarHBondContact O-N 2.83Å; F863-I867 HydrophobicContact CD1-CD1 3.81Å; F863-I867 HydrophobicContact CD2-CD1 4.49Å; F863-I867 HydrophobicContact CE1-CD1 3.49Å; F863-I867 VanDerWaalsContact CE1-CD1 3.49Å; F863-I867 HydrophobicContact CE2-CD1 4.22Å; F863-I867 HydrophobicContact CG-CD1 4.31Å; F863-I867 HydrophobicContact CZ-CD1 3.72Å; F863-I867 WeakPolarHBondContact O-CB 3.5Å; F863-I867 WeakPolarHBondContact O-CD1 3.5Å; F863-I867 WeakPolarHBondContact O-CG1 3.17Å; F863-I867 PolarHBondContact O-N 3.43Å
864	I	37.2	Very low	36.9	Very low	26 Å²	26	75.7 Å²	75.7	13%	0.133	42%	0.415	C	S	.	.	H	α-helix	trans	-80.7	-42.8	176.7	-75.2	169.8	0	0	0	111.5	T860 N861 S862 Y866 I867 F868 Y893	T860-I864 HydrophobicContact CG2-CD1 4.04Å; T860-I864 WeakPolarHBondContact O-CB 3.25Å; T860-I864 VanDerWaalsContact O-CG1 3.29Å; T860-I864 WeakPolarHBondContact O-CG1 3.34Å; T860-I864 PolarHBondContact O-N 2.85Å; N861-I864 CarbonylContact O-C 3.58Å; N861-I864 WeakPolarHBondContact O-CA 3.44Å; N861-I864 WeakPolarHBondContact O-CB 3.3Å; N861-I864 PolarHBondContact O-N 3.24Å; S862-I864 VanDerWaalsContact C-N 3.32Å; I864-Y866 VanDerWaalsContact C-N 3.27Å; I864-Y866 PolarHBondContact O-N 3.19Å; I864-I867 CarbonylContact O-C 3.51Å; I864-I867 WeakPolarHBondContact O-CA 3.19Å; I864-I867 WeakPolarHBondContact O-CB 3.38Å; I864-I867 PolarHBondContact O-N 3.25Å; I864-F868 HydrophobicContact CG2-CD2 3.85Å; I864-F868 HydrophobicContact CG2-CE2 3.63Å; I864-F868 WeakPolarHBondContact O-CD2 2.91Å; I864-F868 PolarHBondContact O-N 3.39Å; I864-Y893 HydrophobicContact CD1-CD1 4.38Å; I864-Y893 HydrophobicContact CD1-CE1 3.37Å
865	D	40.2	Very low	35.9	Very low	82 Å²	82	78.9 Å²	78.9	44%	0.439	43%	0.433	S	S	.	.	H	α-helix	trans	-57	-44.3	167.6	-60.9	-36.3	0	0	0	109.1	N861 I867 F868 E869	N861-D865 VanDerWaalsContact O-CG 3.24Å; N861-D865 PolarHBondContact O-N 2.63Å; D865-I867 PolarHBondContact O-N 3.15Å; D865-F868 CarbonylContact O-C 3.46Å; D865-F868 PolarHBondContact O-N 3.11Å; D865-F868 VanDerWaalsContact O-N 3.11Å; D865-E869 VanDerWaalsContact O-CB 3.31Å; D865-E869 WeakPolarHBondContact O-CB 3.35Å; D865-E869 WeakPolarHBondContact O-CG 3.34Å; D865-E869 PolarHBondContact O-N 3.31Å
866	Y	37.6	Very low	35.5	Very low	73 Å²	73	86.7 Å²	86.7	29%	0.286	46%	0.457	S	S	.	.	H	α-helix	trans	-64.8	-34.1	172.2	-174.5	-103.4	0	0	0	113.5	L758 S862 I864 F868 S870	L758-Y866 HydrophobicContact CD1-CE2 3.94Å; S862-Y866 WeakPolarHBondContact O-CB 3.27Å; S862-Y866 PolarHBondContact O-N 3.21Å; I864-Y866 VanDerWaalsContact C-N 3.27Å; I864-Y866 PolarHBondContact O-N 3.19Å; Y866-F868 VanDerWaalsContact C-N 3.3Å; Y866-S870 WeakPolarHBondContact O-CB 3.39Å; Y866-S870 PolarHBondContact O-N 3.22Å; Y866-S870 PolarHBondContact O-OG 3.45Å
867	I	34.5	Very low	35.2	Very low	44 Å²	44	93.3 Å²	93.3	23%	0.226	48%	0.482	C	S	.	.	H	α-helix	trans	-66.4	-31.5	172.3	-83	166.9	0	0	0	111.5	F863 I864 D865 N871 F1050	F863-I867 HydrophobicContact CD1-CD1 3.81Å; F863-I867 HydrophobicContact CD2-CD1 4.49Å; F863-I867 HydrophobicContact CE1-CD1 3.49Å; F863-I867 VanDerWaalsContact CE1-CD1 3.49Å; F863-I867 HydrophobicContact CE2-CD1 4.22Å; F863-I867 HydrophobicContact CG-CD1 4.31Å; F863-I867 HydrophobicContact CZ-CD1 3.72Å; F863-I867 WeakPolarHBondContact O-CB 3.5Å; F863-I867 WeakPolarHBondContact O-CD1 3.5Å; F863-I867 WeakPolarHBondContact O-CG1 3.17Å; F863-I867 PolarHBondContact O-N 3.43Å; I864-I867 CarbonylContact O-C 3.51Å; I864-I867 WeakPolarHBondContact O-CA 3.19Å; I864-I867 WeakPolarHBondContact O-CB 3.38Å; I864-I867 PolarHBondContact O-N 3.25Å; D865-I867 PolarHBondContact O-N 3.15Å; I867-N871 PolarHBondContact O-ND2 3.43Å; I867-F1050 HydrophobicContact CG2-CE1 3.37Å; I867-F1050 HydrophobicContact CG2-CZ 3.53Å
868	F	35.4	Very low	35.1	Very low	79 Å²	79	96.6 Å²	96.6	35%	0.346	50%	0.5	S	S	.	.	H	α-helix	trans	-81.7	-43.5	172.8	-74.4	-65.3	0	0	0	112.7	I864 D865 Y866 N871 F888	I864-F868 HydrophobicContact CG2-CD2 3.85Å; I864-F868 HydrophobicContact CG2-CE2 3.63Å; I864-F868 WeakPolarHBondContact O-CD2 2.91Å; I864-F868 PolarHBondContact O-N 3.39Å; D865-F868 CarbonylContact O-C 3.46Å; D865-F868 PolarHBondContact O-N 3.11Å; D865-F868 VanDerWaalsContact O-N 3.11Å; Y866-F868 VanDerWaalsContact C-N 3.3Å; F868-N871 CarbonylContact O-C 3.36Å; F868-N871 PolarHBondContact O-N 3.25Å; F868-F888 HydrophobicContact CE1-CZ 4.39Å; F868-F888 AromaticContact CZ-CE1 3.99Å; F868-F888 HydrophobicContact CZ-CE1 3.99Å; F868-F888 HydrophobicContact CZ-CE2 4.48Å; F868-F888 AromaticContact CZ-CZ 3.85Å; F868-F888 HydrophobicContact CZ-CZ 3.85Å
869	E	38.3	Very low	34.7	Very low	124 Å²	124	94.8 Å²	94.8	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-73.5	-27.2	-179	-72.3	-175.3	148.8	0	0	113.4	D865 N871 N872	D865-E869 VanDerWaalsContact O-CB 3.31Å; D865-E869 WeakPolarHBondContact O-CB 3.35Å; D865-E869 WeakPolarHBondContact O-CG 3.34Å; D865-E869 PolarHBondContact O-N 3.31Å; E869-N871 PolarHBondContact O-N 3.07Å; E869-N872 WeakPolarHBondContact O-CB 3.47Å; E869-N872 VanDerWaalsContact O-CG 3.29Å; E869-N872 PolarHBondContact O-ND2 3.1Å
870	S	33.5	Very low	35	Very low	51 Å²	51	93.8 Å²	93.8	36%	0.357	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-5.9	172.7	59.7	0	0	0	0	113.5	Y866	Y866-S870 WeakPolarHBondContact O-CB 3.39Å; Y866-S870 PolarHBondContact O-N 3.22Å; Y866-S870 PolarHBondContact O-OG 3.45Å
871	N	28.5	Very low	35.3	Very low	90 Å²	90	97.7 Å²	97.7	48%	0.481	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	54.1	172.7	-61.6	-76	0	0	0	110.1	I867 F868 E869 S873	I867-N871 PolarHBondContact O-ND2 3.43Å; F868-N871 CarbonylContact O-C 3.36Å; F868-N871 PolarHBondContact O-N 3.25Å; E869-N871 PolarHBondContact O-N 3.07Å; N871-S873 PolarHBondContact O-N 3.08Å; N871-S873 VanDerWaalsContact O-N 3.12Å
872	N	30.5	Very low	35.3	Very low	122 Å²	122	96.5 Å²	96.5	65%	0.652	52%	0.52	S	S	*	.			trans	-77.1	96.7	-159.4	-132.6	-35.9	0	0	0	115.3	E869	E869-N872 WeakPolarHBondContact O-CB 3.47Å; E869-N872 VanDerWaalsContact O-CG 3.29Å; E869-N872 PolarHBondContact O-ND2 3.1Å
873	S	29	Very low	35.4	Very low	108 Å²	108	98 Å²	98	76%	0.755	52%	0.521	S	S	*	.			trans	-155.2	30.3	148.5	74.9	0	0	0	0	114.6	N871 T875	N871-S873 PolarHBondContact O-N 3.08Å; N871-S873 VanDerWaalsContact O-N 3.12Å; S873-T875 PolarHBondContact O-N 3.22Å
874	V	32.1	Very low	35.8	Very low	107 Å²	107	94.9 Å²	94.9	65%	0.648	51%	0.509	S	S	*	.			trans	-100.7	74.5	-174	-170.9	0	0	0	0	111.7
875	T	28.3	Very low	36.2	Very low	123 Å²	123	99.5 Å²	99.5	76%	0.755	53%	0.53	S	S	*	.			trans	-136	50.9	178.6	55	0	0	0	0	114.2	S873	S873-T875 PolarHBondContact O-N 3.22Å
876	R	30.3	Very low	36.6	Very low	228 Å²	228	102.7 Å²	102.7	86%	0.86	54%	0.54	S	S	*	.	S	Bend	trans	-146.6	143.7	165.1	-93.8	152.9	-151.8	-166.6	5.7	109.9
877	Y	31.5	Very low	36.9	Very low	192 Å²	192	101.7 Å²	101.7	75%	0.753	54%	0.539	S	S	*	.			trans	66.3	94.2	-176.3	-63.9	-80.4	0	0	0	117.4	G879 S880	Y877-G879 PolarHBondContact O-N 3.37Å; Y877-G879 VanDerWaalsContact O-N 3.15Å; Y877-S880 PolarHBondContact O-OG 3.41Å
878	P	36.6	Very low	37.7	Very low	115 Å²	115	100.8 Å²	100.8	75%	0.747	53%	0.533	S	S	*	.	H	α-helix	trans	-63.6	-16.7	174.3	-23.4	34.6	0	0	0	115.8
879	G	34.8	Very low	38.6	Very low	53 Å²	53	99.6 Å²	99.6	55%	0.546	54%	0.535	S	S	.	.	H	α-helix	trans	-77	-33.5	-173	0	0	0	0	0	115	Y877	Y877-G879 PolarHBondContact O-N 3.37Å; Y877-G879 VanDerWaalsContact O-N 3.15Å
880	S	43.2	Very low	39.5	Very low	58 Å²	58	97.5 Å²	97.5	41%	0.406	54%	0.538	S	S	.	.	H	α-helix	trans	-73.6	-41.7	179.3	50	0	0	0	0	111.6	Y877 A882 I883 I884	Y877-S880 PolarHBondContact O-OG 3.41Å; S880-A882 VanDerWaalsContact C-N 3.3Å; S880-A882 PolarHBondContact O-N 2.92Å; S880-I883 WeakPolarHBondContact O-CB 3.08Å; S880-I883 PolarHBondContact O-N 2.97Å; S880-I884 WeakPolarHBondContact O-CG1 3.31Å; S880-I884 PolarHBondContact O-N 2.9Å
881	Q	42.1	Very low	40.4	Very low	122 Å²	122	97.3 Å²	97.3	57%	0.57	54%	0.537	S	S	*	.	H	α-helix	trans	-57.7	-40.4	-177.8	-166.3	171	5.5	0	0	112.1	I883 I884 Q885	Q881-I883 VanDerWaalsContact C-N 3.29Å; Q881-I883 PolarHBondContact O-N 3.41Å; Q881-I884 PolarHBondContact O-N 3.32Å; Q881-Q885 WeakPolarHBondContact O-CB 3.4Å; Q881-Q885 PolarHBondContact O-N 3.25Å
882	A	41	Very low	42.2	Very low	48 Å²	48	94.1 Å²	94.1	40%	0.397	52%	0.519	S	S	.	.	H	α-helix	trans	-68.6	-22.9	176.3	0	0	0	0	0	114.2	S880 K886	S880-A882 VanDerWaalsContact C-N 3.3Å; S880-A882 PolarHBondContact O-N 2.92Å; A882-K886 WeakPolarHBondContact O-CB 3.39Å; A882-K886 WeakPolarHBondContact O-CD 3.4Å; A882-K886 VanDerWaalsContact O-CG 3.25Å; A882-K886 WeakPolarHBondContact O-CG 3.33Å; A882-K886 PolarHBondContact O-N 3.13Å
883	I	42	Very low	43.8	Very low	104 Å²	104	91.9 Å²	91.9	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-82.7	-48.9	174.1	-63.4	172.7	0	0	0	109.4	S880 Q881 Q885 K886 M887	S880-I883 WeakPolarHBondContact O-CB 3.08Å; S880-I883 PolarHBondContact O-N 2.97Å; Q881-I883 VanDerWaalsContact C-N 3.29Å; Q881-I883 PolarHBondContact O-N 3.41Å; I883-Q885 PolarHBondContact O-N 3.39Å; I883-K886 WeakPolarHBondContact O-CB 3.06Å; I883-K886 PolarHBondContact O-N 2.64Å; I883-K886 VanDerWaalsContact O-N 3.12Å; I883-M887 HydrophobicContact CG2-CG 4.42Å; I883-M887 HydrophobicContact CG2-SD 3.84Å; I883-M887 WeakPolarHBondContact O-CG 3.34Å; I883-M887 PolarHBondContact O-N 2.95Å
884	I	44.6	Very low	46	Very low	44 Å²	44	89.8 Å²	89.8	23%	0.226	49%	0.486	C	S	.	.	H	α-helix	trans	-57.7	-50.8	177.4	-65	167.5	0	0	0	110	S880 Q881 K886 M887 F888 I1051	S880-I884 WeakPolarHBondContact O-CG1 3.31Å; S880-I884 PolarHBondContact O-N 2.9Å; Q881-I884 PolarHBondContact O-N 3.32Å; I884-K886 VanDerWaalsContact C-N 3.28Å; I884-K886 PolarHBondContact O-N 2.93Å; I884-M887 PolarHBondContact O-N 3.36Å; I884-M887 VanDerWaalsContact O-N 3.08Å; I884-F888 HydrophobicContact CG2-CD2 3.68Å; I884-F888 HydrophobicContact CG2-CE2 3.51Å; I884-F888 VanDerWaalsContact O-CD2 3.32Å; I884-F888 WeakPolarHBondContact O-CD2 3.34Å; I884-F888 PolarHBondContact O-N 3.49Å; I884-I1051 HydrophobicContact CD1-CD1 4.08Å; I884-I1051 HydrophobicContact CG1-CD1 4.13Å
885	Q	46.7	Very low	48.1	Very low	122 Å²	122	85.3 Å²	85.3	57%	0.57	46%	0.458	S	S	*	.	H	α-helix	trans	-58.3	-37.4	176.8	-168.8	-178.7	40.2	0	0	112.1	Q881 I883 S889	Q881-Q885 WeakPolarHBondContact O-CB 3.4Å; Q881-Q885 PolarHBondContact O-N 3.25Å; I883-Q885 PolarHBondContact O-N 3.39Å; Q885-S889 WeakPolarHBondContact O-CB 3.33Å; Q885-S889 PolarHBondContact O-N 3.22Å; Q885-S889 PolarHBondContact O-OG 3.01Å
886	K	48.3	Very low	50.3	Low	150 Å²	150	81 Å²	81	65%	0.652	43%	0.43	S	S	*	.	H	α-helix	trans	-65.4	-46.9	172.3	-82.8	174.8	-177.8	173.7	0	112.4	A882 I883 I884 S889 A890	A882-K886 WeakPolarHBondContact O-CB 3.39Å; A882-K886 WeakPolarHBondContact O-CD 3.4Å; A882-K886 VanDerWaalsContact O-CG 3.25Å; A882-K886 WeakPolarHBondContact O-CG 3.33Å; A882-K886 PolarHBondContact O-N 3.13Å; I883-K886 WeakPolarHBondContact O-CB 3.06Å; I883-K886 PolarHBondContact O-N 2.64Å; I883-K886 VanDerWaalsContact O-N 3.12Å; I884-K886 VanDerWaalsContact C-N 3.28Å; I884-K886 PolarHBondContact O-N 2.93Å; K886-S889 WeakPolarHBondContact CA-OG 3.44Å; K886-S889 PolarHBondContact O-N 3.37Å; K886-S889 VanDerWaalsContact O-N 3.09Å; K886-S889 PolarHBondContact O-OG 3.3Å; K886-A890 WeakPolarHBondContact O-CB 3.17Å; K886-A890 PolarHBondContact O-N 3.07Å
887	M	44.6	Very low	52.4	Low	51 Å²	51	75.9 Å²	75.9	25%	0.251	42%	0.416	S	S	.	.	H	α-helix	trans	-64.3	-45.1	-179	-67.5	174.8	83.3	0	0	111.5	I883 I884 S889 A890 S891 N957 C958	I883-M887 HydrophobicContact CG2-CG 4.42Å; I883-M887 HydrophobicContact CG2-SD 3.84Å; I883-M887 WeakPolarHBondContact O-CG 3.34Å; I883-M887 PolarHBondContact O-N 2.95Å; I884-M887 PolarHBondContact O-N 3.36Å; I884-M887 VanDerWaalsContact O-N 3.08Å; M887-S889 VanDerWaalsContact C-N 3.33Å; M887-S889 PolarHBondContact O-N 3.26Å; M887-A890 PolarHBondContact O-N 3.03Å; M887-S891 WeakPolarHBondContact O-CB 3.43Å; M887-S891 PolarHBondContact O-N 2.94Å; M887-S891 VanDerWaalsContact O-N 3.12Å; M887-S891 PolarHBondContact O-OG 3.44Å; M887-N957 HydrophobicContact CE-CB 4.11Å; M887-N957 WeakPolarHBondContact CE-OD1 3.21Å; M887-C958 WeakPolarHBondContact CE-SG 3.43Å
888	F	50.7	Low	54.9	Low	26 Å²	26	68.1 Å²	68.1	11%	0.114	39%	0.386	C	S	.	.	H	α-helix	trans	-55	-48	167.2	-89.1	-113.3	0	0	0	111	F868 I884 A890 S891 F892 Y893 I1049	F868-F888 HydrophobicContact CE1-CZ 4.39Å; F868-F888 AromaticContact CZ-CE1 3.99Å; F868-F888 HydrophobicContact CZ-CE1 3.99Å; F868-F888 HydrophobicContact CZ-CE2 4.48Å; F868-F888 AromaticContact CZ-CZ 3.85Å; F868-F888 HydrophobicContact CZ-CZ 3.85Å; I884-F888 HydrophobicContact CG2-CD2 3.68Å; I884-F888 HydrophobicContact CG2-CE2 3.51Å; I884-F888 VanDerWaalsContact O-CD2 3.32Å; I884-F888 WeakPolarHBondContact O-CD2 3.34Å; I884-F888 PolarHBondContact O-N 3.49Å; F888-A890 VanDerWaalsContact C-N 3.3Å; F888-A890 PolarHBondContact O-N 3.19Å; F888-S891 PolarHBondContact O-N 3.05Å; F888-F892 HydrophobicContact CD1-CB 4.29Å; F888-F892 AromaticContact CD1-CD1 3.91Å; F888-F892 HydrophobicContact CD1-CD1 3.91Å; F888-F892 HydrophobicContact CD1-CG 4.27Å; F888-F892 HydrophobicContact CE1-CD1 4.4Å; F888-F892 WeakPolarHBondContact O-CA 3.46Å; F888-F892 WeakPolarHBondContact O-CB 3.36Å; F888-F892 PolarHBondContact O-N 3.31Å; F888-Y893 PolarHBondContact O-N 3.49Å; F888-I1049 HydrophobicContact CE1-CG2 3.55Å; F888-I1049 HydrophobicContact CE2-CG2 4.11Å; F888-I1049 VanDerWaalsContact CE2-O 3.27Å; F888-I1049 WeakPolarHBondContact CE2-O 3.41Å; F888-I1049 HydrophobicContact CZ-CB 4.43Å; F888-I1049 HydrophobicContact CZ-CG2 3.24Å; F888-I1049 WeakPolarHBondContact CZ-O 3.48Å
889	S	55	Low	57.2	Low	54 Å²	54	62.7 Å²	62.7	38%	0.378	35%	0.351	S	S	.	.	H	α-helix	trans	-66.6	-30.7	-174.5	74.8	0	0	0	0	114.4	Q885 K886 M887 Y893	Q885-S889 WeakPolarHBondContact O-CB 3.33Å; Q885-S889 PolarHBondContact O-N 3.22Å; Q885-S889 PolarHBondContact O-OG 3.01Å; K886-S889 WeakPolarHBondContact CA-OG 3.44Å; K886-S889 PolarHBondContact O-N 3.37Å; K886-S889 VanDerWaalsContact O-N 3.09Å; K886-S889 PolarHBondContact O-OG 3.3Å; M887-S889 VanDerWaalsContact C-N 3.33Å; M887-S889 PolarHBondContact O-N 3.26Å; S889-Y893 VanDerWaalsContact CA-CD2 3.44Å
890	A	55.5	Low	59.4	Low	79 Å²	79	62.8 Å²	62.8	65%	0.653	34%	0.339	S	S	*	.	H	α-helix	trans	-85.3	-24.6	179.9	0	0	0	0	0	113.4	K886 M887 F888	K886-A890 WeakPolarHBondContact O-CB 3.17Å; K886-A890 PolarHBondContact O-N 3.07Å; M887-A890 PolarHBondContact O-N 3.03Å; F888-A890 VanDerWaalsContact C-N 3.3Å; F888-A890 PolarHBondContact O-N 3.19Å
891	S	53.8	Low	61.2	Low	48 Å²	48	63.8 Å²	63.8	34%	0.336	34%	0.34	S	S	.	.	H	α-helix	trans	-122.4	-36.3	-170.9	67	0	0	0	0	115.2	M887 F888 L895	M887-S891 WeakPolarHBondContact O-CB 3.43Å; M887-S891 PolarHBondContact O-N 2.94Å; M887-S891 VanDerWaalsContact O-N 3.12Å; M887-S891 PolarHBondContact O-OG 3.44Å; F888-S891 PolarHBondContact O-N 3.05Å; S891-L895 VanDerWaalsContact O-CD1 3.26Å; S891-L895 WeakPolarHBondContact O-CD1 3.47Å; S891-L895 VanDerWaalsContact O-CG 3.31Å; S891-L895 WeakPolarHBondContact O-CG 3.33Å
892	F	64.9	Low	63.4	Low	22 Å²	22	59.1 Å²	59.1	10%	0.096	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-45.2	-174	-171.7	-108.7	0	0	0	112.4	F888 L895 I896 W925 L929 W959	F888-F892 HydrophobicContact CD1-CB 4.29Å; F888-F892 AromaticContact CD1-CD1 3.91Å; F888-F892 HydrophobicContact CD1-CD1 3.91Å; F888-F892 HydrophobicContact CD1-CG 4.27Å; F888-F892 HydrophobicContact CE1-CD1 4.4Å; F888-F892 WeakPolarHBondContact O-CA 3.46Å; F888-F892 WeakPolarHBondContact O-CB 3.36Å; F888-F892 PolarHBondContact O-N 3.31Å; F892-L895 PolarHBondContact O-N 2.83Å; F892-L895 VanDerWaalsContact O-N 3.11Å; F892-I896 HydrophobicContact CD1-CG1 3.9Å; F892-I896 HydrophobicContact CD2-CG1 4.48Å; F892-I896 HydrophobicContact CE1-CD1 3.99Å; F892-I896 HydrophobicContact CE1-CG1 3.66Å; F892-I896 HydrophobicContact CE2-CD1 4.18Å; F892-I896 HydrophobicContact CE2-CG1 4.28Å; F892-I896 HydrophobicContact CG-CG1 4.32Å; F892-I896 HydrophobicContact CZ-CD1 3.74Å; F892-I896 HydrophobicContact CZ-CG1 3.88Å; F892-I896 WeakPolarHBondContact O-CG1 3.48Å; F892-I896 PolarHBondContact O-N 3.42Å; F892-W925 HydrophobicContact CZ-CH2 4.49Å; F892-W925 HydrophobicContact CZ-CZ3 4.19Å; F892-L929 HydrophobicContact CD2-CD2 4.27Å; F892-L929 HydrophobicContact CE2-CD2 3.57Å; F892-L929 HydrophobicContact CZ-CD2 4.24Å; F892-W959 AromaticContact CD2-CH2 3.95Å; F892-W959 HydrophobicContact CD2-CH2 3.95Å; F892-W959 AromaticContact CD2-CZ2 3.77Å; F892-W959 HydrophobicContact CD2-CZ2 3.77Å; F892-W959 HydrophobicContact CE2-CH2 4.01Å; F892-W959 HydrophobicContact CE2-CZ2 4.28Å
893	Y	65.5	Low	65.4	Low	75 Å²	75	57.4 Å²	57.4	29%	0.294	30%	0.301	S	S	.	.	H	α-helix	trans	-53.5	-47.5	177.7	-76.5	-44.1	0	0	0	113.8	I864 F888 S889 L895 I896 E897	I864-Y893 HydrophobicContact CD1-CD1 4.38Å; I864-Y893 HydrophobicContact CD1-CE1 3.37Å; F888-Y893 PolarHBondContact O-N 3.49Å; S889-Y893 VanDerWaalsContact CA-CD2 3.44Å; Y893-L895 PolarHBondContact O-N 2.72Å; Y893-I896 PolarHBondContact O-N 2.8Å; Y893-E897 WeakPolarHBondContact O-CB 3.29Å; Y893-E897 PolarHBondContact O-N 3.28Å
894	P	75	Confident	67	Low	64 Å²	64	54.4 Å²	54.4	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-28	-178.8	-21.4	34.8	0	0	0	113.1	K898	P894-K898 VanDerWaalsContact O-CB 3.27Å; P894-K898 WeakPolarHBondContact O-CB 3.26Å; P894-K898 PolarHBondContact O-N 2.75Å
895	L	75.2	Confident	68.5	Low	13 Å²	13	54.3 Å²	54.3	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-77.6	-37.7	177.4	-63.1	176.1	0	0	0	111.7	S891 F892 Y893 K898 L899 L929 F932 W933 S936	S891-L895 VanDerWaalsContact O-CD1 3.26Å; S891-L895 WeakPolarHBondContact O-CD1 3.47Å; S891-L895 VanDerWaalsContact O-CG 3.31Å; S891-L895 WeakPolarHBondContact O-CG 3.33Å; F892-L895 PolarHBondContact O-N 2.83Å; F892-L895 VanDerWaalsContact O-N 3.11Å; Y893-L895 PolarHBondContact O-N 2.72Å; L895-K898 PolarHBondContact O-N 3.47Å; L895-L899 WeakPolarHBondContact O-CB 3.29Å; L895-L899 PolarHBondContact O-N 2.98Å; L895-L929 HydrophobicContact CB-CD1 3.66Å; L895-L929 WeakPolarHBondContact O-CD1 3.38Å; L895-F932 HydrophobicContact CD2-CB 4.22Å; L895-W933 HydrophobicContact CD1-CB 4Å; L895-W933 HydrophobicContact CD1-CG 4.27Å; L895-S936 WeakPolarHBondContact CD2-OG 3.34Å
896	I	74.6	Confident	70.2	Confident	34 Å²	34	48.9 Å²	48.9	17%	0.174	28%	0.276	C	S	.	.	H	α-helix	trans	-67.1	-43.3	172.4	-64.8	-68.2	0	0	0	110.8	F892 Y893 K898 L899 L900 W925 L929	F892-I896 HydrophobicContact CD1-CG1 3.9Å; F892-I896 HydrophobicContact CD2-CG1 4.48Å; F892-I896 HydrophobicContact CE1-CD1 3.99Å; F892-I896 HydrophobicContact CE1-CG1 3.66Å; F892-I896 HydrophobicContact CE2-CD1 4.18Å; F892-I896 HydrophobicContact CE2-CG1 4.28Å; F892-I896 HydrophobicContact CG-CG1 4.32Å; F892-I896 HydrophobicContact CZ-CD1 3.74Å; F892-I896 HydrophobicContact CZ-CG1 3.88Å; F892-I896 WeakPolarHBondContact O-CG1 3.48Å; F892-I896 PolarHBondContact O-N 3.42Å; Y893-I896 PolarHBondContact O-N 2.8Å; I896-K898 VanDerWaalsContact C-N 3.35Å; I896-K898 PolarHBondContact O-N 3.07Å; I896-L899 PolarHBondContact O-N 2.86Å; I896-L900 HydrophobicContact CG2-CD1 3.95Å; I896-L900 HydrophobicContact CG2-CG 4.39Å; I896-L900 WeakPolarHBondContact O-CG 3.18Å; I896-L900 PolarHBondContact O-N 3.38Å; I896-W925 HydrophobicContact CD1-CE3 4.23Å; I896-W925 HydrophobicContact CD1-CZ3 3.88Å; I896-L929 HydrophobicContact CD1-CD1 3.9Å; I896-L929 HydrophobicContact CD1-CD2 3.73Å; I896-L929 HydrophobicContact CD1-CG 4.49Å; I896-L929 HydrophobicContact CG1-CD1 4.42Å
897	E	75.7	Confident	71.1	Confident	120 Å²	120	43.2 Å²	43.2	56%	0.561	26%	0.255	S	S	*	.	H	α-helix	trans	-61	-43.1	174.1	-179.1	176	-164.8	0	0	111.2	Y893 N901	Y893-E897 WeakPolarHBondContact O-CB 3.29Å; Y893-E897 PolarHBondContact O-N 3.28Å; E897-N901 VanDerWaalsContact CG-ND2 3.33Å; E897-N901 WeakPolarHBondContact CG-ND2 3.23Å; E897-N901 WeakPolarHBondContact O-CB 3.44Å; E897-N901 PolarHBondContact O-N 2.74Å; E897-N901 PolarHBondContact O-ND2 2.81Å
898	K	82.8	Confident	72.1	Confident	28 Å²	28	44.4 Å²	44.4	12%	0.122	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-44.5	174.4	-167.9	-179.8	-175	-167.5	0	111.8	W457 P894 L895 I896 W902 F932 E935	W457-K898 HydrophobicContact CH2-CD 4.43Å; W457-K898 HydrophobicContact CH2-CG 4.13Å; P894-K898 VanDerWaalsContact O-CB 3.27Å; P894-K898 WeakPolarHBondContact O-CB 3.26Å; P894-K898 PolarHBondContact O-N 2.75Å; L895-K898 PolarHBondContact O-N 3.47Å; I896-K898 VanDerWaalsContact C-N 3.35Å; I896-K898 PolarHBondContact O-N 3.07Å; K898-W902 WeakPolarHBondContact O-CB 3.43Å; K898-W902 PolarHBondContact O-N 3.1Å; K898-F932 HydrophobicContact CD-CD1 3.51Å; K898-F932 HydrophobicContact CD-CE1 3.78Å; K898-F932 HydrophobicContact CD-CG 4.29Å; K898-F932 HydrophobicContact CG-CD1 3.98Å; K898-F932 HydrophobicContact CG-CE1 3.84Å; K898-F932 HydrophobicContact CG-CZ 4.41Å; K898-E935 IonicContact NZ-OE1 3.81Å; K898-E935 PolarHBondContact NZ-OE1 3.28Å; K898-E935 IonicContact NZ-OE2 2.96Å; K898-E935 PolarHBondContact NZ-OE2 3.39Å
899	L	85.5	Confident	73.2	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-47.4	177.1	173	64.5	0	0	0	112.3	L895 I896 W902 V903 F921 W925 V928 L929 F932	L895-L899 WeakPolarHBondContact O-CB 3.29Å; L895-L899 PolarHBondContact O-N 2.98Å; I896-L899 PolarHBondContact O-N 2.86Å; L899-W902 PolarHBondContact O-N 3.01Å; L899-V903 HydrophobicContact CD1-CG2 4.2Å; L899-V903 WeakPolarHBondContact O-CG2 3.49Å; L899-V903 PolarHBondContact O-N 3.38Å; L899-F921 HydrophobicContact CD1-CE2 4.42Å; L899-F921 HydrophobicContact CD2-CE2 4.01Å; L899-F921 HydrophobicContact CD2-CZ 3.93Å; L899-F921 HydrophobicContact CG-CE2 4.05Å; L899-F921 HydrophobicContact CG-CZ 4.33Å; L899-W925 HydrophobicContact CD2-CB 4.2Å; L899-V928 HydrophobicContact CD1-CB 3.91Å; L899-V928 HydrophobicContact CD1-CG1 3.61Å; L899-L929 HydrophobicContact CB-CD1 4.3Å; L899-L929 HydrophobicContact CD2-CB 4.31Å; L899-L929 HydrophobicContact CD2-CD1 4.16Å; L899-F932 HydrophobicContact CB-CD2 4.15Å; L899-F932 HydrophobicContact CB-CE2 4.1Å; L899-F932 HydrophobicContact CD1-CD2 4.21Å; L899-F932 HydrophobicContact CD1-CE2 3.82Å
900	L	80.6	Confident	74	Confident	55 Å²	55	45.8 Å²	45.8	29%	0.288	26%	0.263	S	S	.	.	H	α-helix	trans	-68.4	-44.6	-178.1	-69.9	173.1	0	0	0	112	I896 W902 V903 A904 F921	I896-L900 HydrophobicContact CG2-CD1 3.95Å; I896-L900 HydrophobicContact CG2-CG 4.39Å; I896-L900 WeakPolarHBondContact O-CG 3.18Å; I896-L900 PolarHBondContact O-N 3.38Å; L900-W902 VanDerWaalsContact C-N 3.29Å; L900-W902 PolarHBondContact O-N 3.46Å; L900-V903 PolarHBondContact O-N 3.5Å; L900-A904 WeakPolarHBondContact O-CB 3.48Å; L900-A904 PolarHBondContact O-N 2.69Å; L900-F921 HydrophobicContact CD2-CE2 4.25Å; L900-F921 HydrophobicContact CD2-CZ 3.81Å
901	N	82	Confident	74.7	Confident	80 Å²	80	45.3 Å²	45.3	43%	0.428	26%	0.255	S	S	.	.	H	α-helix	trans	-63.3	-35.7	174.8	-74.1	-53.6	0	0	0	112	E897 G905	E897-N901 VanDerWaalsContact CG-ND2 3.33Å; E897-N901 WeakPolarHBondContact CG-ND2 3.23Å; E897-N901 WeakPolarHBondContact O-CB 3.44Å; E897-N901 PolarHBondContact O-N 2.74Å; E897-N901 PolarHBondContact O-ND2 2.81Å; N901-G905 PolarHBondContact O-N 3.37Å
902	W	87.1	Confident	75.7	Confident	24 Å²	24	43.7 Å²	43.7	9%	0.091	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-48.5	175.2	-178.7	79.6	0	0	0	112	E454 K898 L899 L900 A904 G905 I906 V928 F932 K983 M984 L987	E454-W902 PolarHBondContact OE1-NE1 2.84Å; K898-W902 WeakPolarHBondContact O-CB 3.43Å; K898-W902 PolarHBondContact O-N 3.1Å; L899-W902 PolarHBondContact O-N 3.01Å; L900-W902 VanDerWaalsContact C-N 3.29Å; L900-W902 PolarHBondContact O-N 3.46Å; W902-A904 VanDerWaalsContact C-N 3.31Å; W902-A904 PolarHBondContact O-N 3.47Å; W902-G905 WeakPolarHBondContact O-CA 3.3Å; W902-G905 PolarHBondContact O-N 2.92Å; W902-I906 HydrophobicContact CD2-CD1 4.33Å; W902-I906 HydrophobicContact CE3-CD1 3.95Å; W902-I906 HydrophobicContact CH2-CD1 3.75Å; W902-I906 HydrophobicContact CZ2-CD1 4.19Å; W902-I906 HydrophobicContact CZ3-CD1 3.65Å; W902-I906 WeakPolarHBondContact O-CG1 3.37Å; W902-V928 HydrophobicContact CE3-CG1 4.17Å; W902-V928 HydrophobicContact CH2-CG1 4.48Å; W902-V928 HydrophobicContact CZ3-CG1 3.79Å; W902-F932 HydrophobicContact CB-CE2 4.36Å; W902-F932 HydrophobicContact CB-CZ 3.72Å; W902-F932 HydrophobicContact CD2-CE2 4.31Å; W902-F932 AromaticContact CD2-CZ 3.83Å; W902-F932 HydrophobicContact CD2-CZ 3.83Å; W902-F932 HydrophobicContact CE3-CE2 4.23Å; W902-F932 HydrophobicContact CE3-CZ 4.21Å; W902-F932 HydrophobicContact CG-CE2 4.38Å; W902-F932 AromaticContact CG-CZ 3.59Å; W902-F932 HydrophobicContact CG-CZ 3.59Å; W902-K983 HydrophobicContact CH2-CB 3.51Å; W902-K983 HydrophobicContact CZ2-CB 3.52Å; W902-K983 HydrophobicContact CZ2-CD 4.14Å; W902-K983 HydrophobicContact CZ2-CG 4.47Å; W902-K983 HydrophobicContact CZ3-CB 4.23Å; W902-M984 HydrophobicContact CH2-CG 4.05Å; W902-M984 HydrophobicContact CH2-SD 3.76Å; W902-M984 HydrophobicContact CZ2-CG 3.89Å; W902-M984 HydrophobicContact CZ2-SD 3.84Å; W902-L987 HydrophobicContact CH2-CD2 4.42Å; W902-L987 HydrophobicContact CZ3-CB 4.44Å; W902-L987 HydrophobicContact CZ3-CD2 4.07Å
903	V	84.1	Confident	76.4	Confident	12 Å²	12	44.8 Å²	44.8	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-39.8	177.8	172.3	0	0	0	0	111.7	L899 L900 G905 I906 F909 F921 L987	L899-V903 HydrophobicContact CD1-CG2 4.2Å; L899-V903 WeakPolarHBondContact O-CG2 3.49Å; L899-V903 PolarHBondContact O-N 3.38Å; L900-V903 PolarHBondContact O-N 3.5Å; V903-G905 PolarHBondContact O-N 3.01Å; V903-I906 HydrophobicContact CG2-CD1 4.47Å; V903-I906 PolarHBondContact O-N 3.3Å; V903-I906 VanDerWaalsContact O-N 3.16Å; V903-F909 HydrophobicContact CG1-CD1 3.85Å; V903-F909 HydrophobicContact CG1-CD2 4.35Å; V903-F909 HydrophobicContact CG1-CE1 3.56Å; V903-F909 HydrophobicContact CG1-CE2 4.09Å; V903-F909 HydrophobicContact CG1-CG 4.25Å; V903-F909 HydrophobicContact CG1-CZ 3.69Å; V903-F921 HydrophobicContact CG2-CD2 4.34Å; V903-F921 HydrophobicContact CG2-CE2 4.22Å; V903-L987 HydrophobicContact CG2-CD1 4.39Å; V903-L987 HydrophobicContact CG2-CD2 4.46Å
904	A	75.4	Confident	76.9	Confident	41 Å²	41	44.5 Å²	44.5	34%	0.339	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-14	174.5	0	0	0	0	0	114	L900 W902	L900-A904 WeakPolarHBondContact O-CB 3.48Å; L900-A904 PolarHBondContact O-N 2.69Å; W902-A904 VanDerWaalsContact C-N 3.31Å; W902-A904 PolarHBondContact O-N 3.47Å
905	G	76.7	Confident	76.8	Confident	41 Å²	41	47.4 Å²	47.4	42%	0.423	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.1	174	0	0	0	0	0	114.8	N901 W902 V903 P907	N901-G905 PolarHBondContact O-N 3.37Å; W902-G905 WeakPolarHBondContact O-CA 3.3Å; W902-G905 PolarHBondContact O-N 2.92Å; V903-G905 PolarHBondContact O-N 3.01Å; G905-P907 WeakPolarHBondContact O-CD 3.46Å
906	I	81.1	Confident	76.9	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.041	26%	0.258	C	S	.	.			trans	-88.4	113	-173.8	-61.1	171.3	0	0	0	111.1	W902 V903 F909 M984 L987	W902-I906 HydrophobicContact CD2-CD1 4.33Å; W902-I906 HydrophobicContact CE3-CD1 3.95Å; W902-I906 HydrophobicContact CH2-CD1 3.75Å; W902-I906 HydrophobicContact CZ2-CD1 4.19Å; W902-I906 HydrophobicContact CZ3-CD1 3.65Å; W902-I906 WeakPolarHBondContact O-CG1 3.37Å; V903-I906 HydrophobicContact CG2-CD1 4.47Å; V903-I906 PolarHBondContact O-N 3.3Å; V903-I906 VanDerWaalsContact O-N 3.16Å; I906-F909 HydrophobicContact CB-CB 4Å; I906-F909 HydrophobicContact CG2-CB 4.01Å; I906-F909 WeakPolarHBondContact O-CB 3.48Å; I906-F909 PolarHBondContact O-N 2.91Å; I906-M984 HydrophobicContact CD1-SD 3.75Å; I906-M984 HydrophobicContact CG1-SD 4.08Å; I906-M984 HydrophobicContact CG2-CE 3.86Å; I906-M984 HydrophobicContact CG2-SD 4.09Å; I906-L987 HydrophobicContact CD1-CD2 3.35Å
907	P	68.4	Low	77.1	Confident	31 Å²	31	46.1 Å²	46.1	20%	0.201	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	145.6	169.9	-18.2	31.3	0	0	0	110.8	T446 I450 G905 F909	T446-P907 HydrophobicContact CG2-CB 3.81Å; T446-P907 HydrophobicContact CG2-CG 3.57Å; I450-P907 HydrophobicContact CD1-CG 3.75Å; I450-P907 HydrophobicContact CG1-CG 3.87Å; G905-P907 WeakPolarHBondContact O-CD 3.46Å; P907-F909 PolarHBondContact O-N 3.41Å
908	H	65.2	Low	77	Confident	77 Å²	77	43.3 Å²	43.3	36%	0.356	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	-11.4	-177.1	-43.9	-71.6	0	0	0	116.2	S443 D910 S911 L912	S443-H908 WeakPolarHBondContact CB-NE2 3.2Å; H908-D910 VanDerWaalsContact C-N 3.3Å; H908-D910 PolarHBondContact O-N 3.37Å; H908-S911 WeakPolarHBondContact CA-OG 3.3Å; H908-S911 PolarHBondContact O-N 2.86Å; H908-S911 PolarHBondContact O-OG 3.46Å; H908-L912 PolarHBondContact O-N 2.91Å
909	F	73.1	Confident	76.6	Confident	12 Å²	12	43.1 Å²	43.1	5%	0.053	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-59.5	-45	168.2	-169.1	-96.2	0	0	0	110.3	V903 I906 P907 S911 L912 Q917 L920 L987	V903-F909 HydrophobicContact CG1-CD1 3.85Å; V903-F909 HydrophobicContact CG1-CD2 4.35Å; V903-F909 HydrophobicContact CG1-CE1 3.56Å; V903-F909 HydrophobicContact CG1-CE2 4.09Å; V903-F909 HydrophobicContact CG1-CG 4.25Å; V903-F909 HydrophobicContact CG1-CZ 3.69Å; I906-F909 HydrophobicContact CB-CB 4Å; I906-F909 HydrophobicContact CG2-CB 4.01Å; I906-F909 WeakPolarHBondContact O-CB 3.48Å; I906-F909 PolarHBondContact O-N 2.91Å; P907-F909 PolarHBondContact O-N 3.41Å; F909-S911 PolarHBondContact O-N 3.18Å; F909-L912 HydrophobicContact CD2-CD1 4.45Å; F909-L912 WeakPolarHBondContact O-CB 3.34Å; F909-L912 PolarHBondContact O-N 3.11Å; F909-Q917 HydrophobicContact CD1-CG 4.15Å; F909-Q917 HydrophobicContact CE1-CB 3.9Å; F909-Q917 HydrophobicContact CE1-CG 3.76Å; F909-Q917 HydrophobicContact CZ-CB 3.78Å; F909-Q917 HydrophobicContact CZ-CG 3.97Å; F909-Q917 PolarHBondContact O-NE2 3.47Å; F909-L920 HydrophobicContact CE2-CD1 4.16Å; F909-L987 HydrophobicContact CD2-CD2 4.23Å; F909-L987 HydrophobicContact CE2-CD2 4.27Å
910	D	71.3	Confident	76.3	Confident	96 Å²	96	43.1 Å²	43.1	51%	0.513	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-62.6	-16	172.4	-77	-15.9	0	0	0	114.7	M770 H908	M770-D910 WeakPolarHBondContact CE-OD1 3.48Å; H908-D910 VanDerWaalsContact C-N 3.3Å; H908-D910 PolarHBondContact O-N 3.37Å
911	S	71.3	Confident	76.2	Confident	69 Å²	69	43.2 Å²	43.2	48%	0.483	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-92	-8.5	179.8	77.8	0	0	0	0	114.4	H908 F909 R997	H908-S911 WeakPolarHBondContact CA-OG 3.3Å; H908-S911 PolarHBondContact O-N 2.86Å; H908-S911 PolarHBondContact O-OG 3.46Å; F909-S911 PolarHBondContact O-N 3.18Å; S911-R997 PolarHBondContact O-NH1 2.77Å; S911-R997 VanDerWaalsContact O-NH1 3.11Å
912	L	75.4	Confident	75.5	Confident	15 Å²	15	42.3 Å²	42.3	8%	0.079	24%	0.239	C	C	.	.	S	Bend	trans	-73.9	161	170.6	-63.2	176.3	0	0	0	110.5	H908 F909 D916 Q917 L920 F988 I1001	H908-L912 PolarHBondContact O-N 2.91Å; F909-L912 HydrophobicContact CD2-CD1 4.45Å; F909-L912 WeakPolarHBondContact O-CB 3.34Å; F909-L912 PolarHBondContact O-N 3.11Å; L912-D916 HydrophobicContact CB-CB 4.46Å; L912-Q917 HydrophobicContact CB-CG 4.03Å; L912-L920 HydrophobicContact CD1-CD1 3.51Å; L912-F988 HydrophobicContact CD1-CE1 4.2Å; L912-I1001 HydrophobicContact CD1-CD1 4.4Å; L912-I1001 HydrophobicContact CD2-CD1 4.16Å
913	S	77.9	Confident	74.9	Confident	44 Å²	44	45.1 Å²	45.1	31%	0.308	25%	0.249	S	C	.	.			trans	-67	147	166.7	85.4	0	0	0	0	109.1	Q915 D916 Q917	S913-Q915 PolarHBondContact O-N 2.84Å; S913-D916 WeakPolarHBondContact CB-OD2 3.4Å; S913-D916 CarbonylContact O-C 3.46Å; S913-D916 WeakPolarHBondContact O-CA 3.45Å; S913-D916 WeakPolarHBondContact O-CB 3.41Å; S913-D916 PolarHBondContact O-N 3.23Å; S913-D916 PolarHBondContact OG-N 2.79Å; S913-D916 VanDerWaalsContact OG-N 3.15Å; S913-D916 PolarHBondContact OG-OD2 3.41Å; S913-Q917 PolarHBondContact O-N 3.23Å
914	K	75.8	Confident	75	Confident	70 Å²	70	44.6 Å²	44.6	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-66.3	-25.7	-178.2	-56.5	178.8	-173.5	-179.4	0	112.6	E767 K918	E767-K914 HydrophobicContact CB-CD 4.13Å; E767-K914 HydrophobicContact CG-CB 4.49Å; E767-K914 HydrophobicContact CG-CD 3.6Å; E767-K914 WeakPolarHBondContact OE1-CD 3.48Å; E767-K914 WeakPolarHBondContact OE2-CD 3.48Å; E767-K914 IonicContact OE2-NZ 3.66Å; E767-K914 PolarHBondContact OE2-NZ 3.22Å; K914-K918 WeakPolarHBondContact O-CB 3.5Å; K914-K918 PolarHBondContact O-N 2.89Å
915	Q	73.6	Confident	75.3	Confident	125 Å²	125	46.3 Å²	46.3	58%	0.584	24%	0.244	S	C	*	.	H	α-helix	trans	-61.8	-47.5	166.7	176.6	171.2	-16.2	0	0	111.1	S913 K918 I919	S913-Q915 PolarHBondContact O-N 2.84Å; Q915-K918 PolarHBondContact O-N 2.93Å; Q915-I919 HydrophobicContact CG-CD1 3.82Å; Q915-I919 VanDerWaalsContact O-CB 3.24Å; Q915-I919 WeakPolarHBondContact O-CB 3.46Å; Q915-I919 VanDerWaalsContact O-CG1 3.26Å; Q915-I919 WeakPolarHBondContact O-CG1 3.02Å; Q915-I919 PolarHBondContact O-N 3.15Å
916	D	77	Confident	75.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-40.2	176.7	-53.8	-45.1	0	0	0	111.3	L912 S913 I919 L920 I995 S996	L912-D916 HydrophobicContact CB-CB 4.46Å; S913-D916 WeakPolarHBondContact CB-OD2 3.4Å; S913-D916 CarbonylContact O-C 3.46Å; S913-D916 WeakPolarHBondContact O-CA 3.45Å; S913-D916 WeakPolarHBondContact O-CB 3.41Å; S913-D916 PolarHBondContact O-N 3.23Å; S913-D916 PolarHBondContact OG-N 2.79Å; S913-D916 VanDerWaalsContact OG-N 3.15Å; S913-D916 PolarHBondContact OG-OD2 3.41Å; D916-I919 PolarHBondContact O-N 2.87Å; D916-L920 WeakPolarHBondContact O-CG 3.32Å; D916-L920 PolarHBondContact O-N 3.04Å; D916-I995 HydrophobicContact CB-CG2 4.23Å; D916-S996 WeakPolarHBondContact OD1-CB 3.26Å; D916-S996 PolarHBondContact OD1-N 2.82Å; D916-S996 PolarHBondContact OD1-OG 3.39Å
917	Q	79.3	Confident	75.6	Confident	19 Å²	19	45.8 Å²	45.8	9%	0.089	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-51.1	173.3	-68.1	175.9	-13.6	0	0	112.1	F909 L912 S913 I919 L920 F921	F909-Q917 HydrophobicContact CD1-CG 4.15Å; F909-Q917 HydrophobicContact CE1-CB 3.9Å; F909-Q917 HydrophobicContact CE1-CG 3.76Å; F909-Q917 HydrophobicContact CZ-CB 3.78Å; F909-Q917 HydrophobicContact CZ-CG 3.97Å; F909-Q917 PolarHBondContact O-NE2 3.47Å; L912-Q917 HydrophobicContact CB-CG 4.03Å; S913-Q917 PolarHBondContact O-N 3.23Å; Q917-I919 VanDerWaalsContact C-N 3.27Å; Q917-I919 PolarHBondContact O-N 3.48Å; Q917-L920 PolarHBondContact O-N 3.07Å; Q917-F921 PolarHBondContact O-N 3.3Å
918	K	72.7	Confident	76.6	Confident	62 Å²	62	44.3 Å²	44.3	27%	0.27	22%	0.221	S	C	.	.	H	α-helix	trans	-56.7	-44.5	175.2	-176.4	-139.4	-170.2	174.9	0	110.5	I763 K914 Q915 F921 S922	I763-K918 HydrophobicContact CD1-CD 3.63Å; I763-K918 HydrophobicContact CD1-CG 4.42Å; I763-K918 HydrophobicContact CG1-CD 3.88Å; I763-K918 HydrophobicContact CG1-CG 4.14Å; K914-K918 WeakPolarHBondContact O-CB 3.5Å; K914-K918 PolarHBondContact O-N 2.89Å; Q915-K918 PolarHBondContact O-N 2.93Å; K918-F921 PolarHBondContact O-N 3.3Å; K918-S922 WeakPolarHBondContact O-CB 3.35Å; K918-S922 PolarHBondContact O-N 2.93Å; K918-S922 PolarHBondContact O-OG 3.46Å
919	I	74.3	Confident	77.5	Confident	24 Å²	24	40.8 Å²	40.8	12%	0.123	21%	0.205	C	C	.	.	H	α-helix	trans	-66.9	-38.7	-177.3	-84.4	170.9	0	0	0	113.1	Q915 D916 Q917 R923 V990 E994 I995	Q915-I919 HydrophobicContact CG-CD1 3.82Å; Q915-I919 VanDerWaalsContact O-CB 3.24Å; Q915-I919 WeakPolarHBondContact O-CB 3.46Å; Q915-I919 VanDerWaalsContact O-CG1 3.26Å; Q915-I919 WeakPolarHBondContact O-CG1 3.02Å; Q915-I919 PolarHBondContact O-N 3.15Å; D916-I919 PolarHBondContact O-N 2.87Å; Q917-I919 VanDerWaalsContact C-N 3.27Å; Q917-I919 PolarHBondContact O-N 3.48Å; I919-R923 PolarHBondContact O-NH1 3.47Å; I919-V990 HydrophobicContact CG2-CG1 4.12Å; I919-E994 WeakPolarHBondContact CD1-O 3.44Å; I919-I995 HydrophobicContact CG2-CD1 3.86Å; I919-I995 HydrophobicContact CG2-CG1 3.4Å
920	L	79.9	Confident	78	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-65	169.3	-72.7	178.2	0	0	0	109.4	F909 L912 D916 Q917 S922 R923 T924 F988 V990 I995 I1001	F909-L920 HydrophobicContact CE2-CD1 4.16Å; L912-L920 HydrophobicContact CD1-CD1 3.51Å; D916-L920 WeakPolarHBondContact O-CG 3.32Å; D916-L920 PolarHBondContact O-N 3.04Å; Q917-L920 PolarHBondContact O-N 3.07Å; L920-S922 PolarHBondContact O-N 3.43Å; L920-R923 PolarHBondContact O-N 3.26Å; L920-R923 VanDerWaalsContact O-N 3.09Å; L920-T924 PolarHBondContact O-N 2.82Å; L920-T924 PolarHBondContact O-OG1 2.88Å; L920-F988 HydrophobicContact CD1-CD1 3.93Å; L920-F988 HydrophobicContact CD1-CE1 3.93Å; L920-V990 HydrophobicContact CD2-CB 3.99Å; L920-V990 HydrophobicContact CD2-CG2 3.8Å; L920-I995 HydrophobicContact CD2-CD1 3.66Å; L920-I995 HydrophobicContact CG-CD1 4.11Å; L920-I1001 HydrophobicContact CD1-CD1 4.21Å; L920-I1001 HydrophobicContact CD2-CD1 4.34Å
921	F	78.1	Confident	78.9	Confident	57 Å²	57	35.8 Å²	35.8	25%	0.25	18%	0.179	C	C	.	.	H	α-helix	trans	-56.5	-48.9	-173.1	-167.5	-96.8	0	0	0	111.8	L899 L900 V903 Q917 K918 R923 T924 W925	L899-F921 HydrophobicContact CD1-CE2 4.42Å; L899-F921 HydrophobicContact CD2-CE2 4.01Å; L899-F921 HydrophobicContact CD2-CZ 3.93Å; L899-F921 HydrophobicContact CG-CE2 4.05Å; L899-F921 HydrophobicContact CG-CZ 4.33Å; L900-F921 HydrophobicContact CD2-CE2 4.25Å; L900-F921 HydrophobicContact CD2-CZ 3.81Å; V903-F921 HydrophobicContact CG2-CD2 4.34Å; V903-F921 HydrophobicContact CG2-CE2 4.22Å; Q917-F921 PolarHBondContact O-N 3.3Å; K918-F921 PolarHBondContact O-N 3.3Å; F921-R923 PolarHBondContact O-N 3.46Å; F921-R923 VanDerWaalsContact O-N 3.13Å; F921-T924 PolarHBondContact O-N 2.84Å; F921-W925 HydrophobicContact CD1-CB 4.09Å; F921-W925 HydrophobicContact CD2-CB 4.27Å; F921-W925 HydrophobicContact CE1-CB 3.85Å; F921-W925 HydrophobicContact CE1-CG 4.29Å; F921-W925 HydrophobicContact CE2-CB 4.05Å; F921-W925 HydrophobicContact CG-CB 4.3Å; F921-W925 HydrophobicContact CZ-CB 3.83Å; F921-W925 VanDerWaalsContact O-CB 3.26Å; F921-W925 WeakPolarHBondContact O-CB 3.48Å; F921-W925 PolarHBondContact O-N 3.27Å
922	S	68.8	Low	79.7	Confident	62 Å²	62	32.5 Å²	32.5	43%	0.434	16%	0.156	S	C	.	.	H	α-helix	trans	-61.4	-26.3	-177.7	69.3	0	0	0	0	114.1	K918 L920	K918-S922 WeakPolarHBondContact O-CB 3.35Å; K918-S922 PolarHBondContact O-N 2.93Å; K918-S922 PolarHBondContact O-OG 3.46Å; L920-S922 PolarHBondContact O-N 3.43Å
923	R	74.6	Confident	80.1	Confident	83 Å²	83	32.5 Å²	32.5	31%	0.313	16%	0.155	S	C	.	.	H	α-helix	trans	-88.3	-34.8	177.3	-76.9	-179.5	176.5	74	-2.8	112.9	I919 L920 F921 V990 E994 K1042	I919-R923 PolarHBondContact O-NH1 3.47Å; L920-R923 PolarHBondContact O-N 3.26Å; L920-R923 VanDerWaalsContact O-N 3.09Å; F921-R923 PolarHBondContact O-N 3.46Å; F921-R923 VanDerWaalsContact O-N 3.13Å; R923-V990 HydrophobicContact CB-CG2 3.79Å; R923-V990 HydrophobicContact CG-CG2 4.38Å; R923-E994 VanDerWaalsContact CZ-CD 3.47Å; R923-E994 IonicContact CZ-OE1 2.76Å; R923-E994 IonicContact CZ-OE2 2.79Å; R923-E994 IonicContact NE-OE1 2.7Å; R923-E994 PolarHBondContact NE-OE1 3.03Å; R923-E994 IonicContact NE-OE2 3.85Å; R923-E994 PolarHBondContact NE-OE2 3.2Å; R923-E994 IonicContact NH2-OE1 3.51Å; R923-E994 PolarHBondContact NH2-OE1 2.66Å; R923-E994 IonicContact NH2-OE2 2.64Å; R923-K1042 PolarHBondContact O-NZ 3.17Å
924	T	84.3	Confident	80.4	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-112.8	-13.7	-164.8	64.2	0	0	0	0	115.3	L920 F921 M926 N927 V928 L986 L987 N989 V990	L920-T924 PolarHBondContact O-N 2.82Å; L920-T924 PolarHBondContact O-OG1 2.88Å; F921-T924 PolarHBondContact O-N 2.84Å; T924-M926 VanDerWaalsContact C-N 3.33Å; T924-M926 PolarHBondContact O-N 3.31Å; T924-M926 VanDerWaalsContact O-N 3.17Å; T924-N927 WeakPolarHBondContact O-CB 3.44Å; T924-N927 PolarHBondContact O-N 2.91Å; T924-V928 PolarHBondContact O-N 3.24Å; T924-L986 VanDerWaalsContact CB-O 3.27Å; T924-L986 WeakPolarHBondContact CB-O 3.37Å; T924-L986 VanDerWaalsContact CG2-O 3.23Å; T924-L986 WeakPolarHBondContact CG2-O 3.46Å; T924-L987 WeakPolarHBondContact CG2-O 3.28Å; T924-L987 PolarHBondContact OG1-O 3.35Å; T924-N989 WeakPolarHBondContact CG2-O 3.46Å; T924-V990 HydrophobicContact CG2-CG2 3.78Å
925	W	82	Confident	80.9	Confident	76 Å²	76	28 Å²	28	29%	0.288	13%	0.13	S	C	.	.	H	α-helix	trans	-50.6	-45.4	-174.3	71.6	-80.4	0	0	0	114.2	F892 I896 L899 F921 N927 V928 L929	F892-W925 HydrophobicContact CZ-CH2 4.49Å; F892-W925 HydrophobicContact CZ-CZ3 4.19Å; I896-W925 HydrophobicContact CD1-CE3 4.23Å; I896-W925 HydrophobicContact CD1-CZ3 3.88Å; L899-W925 HydrophobicContact CD2-CB 4.2Å; F921-W925 HydrophobicContact CD1-CB 4.09Å; F921-W925 HydrophobicContact CD2-CB 4.27Å; F921-W925 HydrophobicContact CE1-CB 3.85Å; F921-W925 HydrophobicContact CE1-CG 4.29Å; F921-W925 HydrophobicContact CE2-CB 4.05Å; F921-W925 HydrophobicContact CG-CB 4.3Å; F921-W925 HydrophobicContact CZ-CB 3.83Å; F921-W925 VanDerWaalsContact O-CB 3.26Å; F921-W925 WeakPolarHBondContact O-CB 3.48Å; F921-W925 PolarHBondContact O-N 3.27Å; W925-N927 VanDerWaalsContact C-N 3.29Å; W925-N927 PolarHBondContact O-N 3.06Å; W925-V928 PolarHBondContact O-N 2.74Å; W925-L929 HydrophobicContact CE3-CD2 4.26Å; W925-L929 HydrophobicContact CZ3-CD2 4.03Å; W925-L929 VanDerWaalsContact O-CB 3.28Å; W925-L929 WeakPolarHBondContact O-CB 3.41Å; W925-L929 PolarHBondContact O-N 3.03Å
926	M	79.5	Confident	81.1	Confident	22 Å²	22	23.3 Å²	23.3	11%	0.108	11%	0.111	C	C	.	.	H	α-helix	trans	-58.8	-37.7	177.1	-72.2	-62	-72.4	0	0	113.2	T924 M930 F1045 I1049	T924-M926 VanDerWaalsContact C-N 3.33Å; T924-M926 PolarHBondContact O-N 3.31Å; T924-M926 VanDerWaalsContact O-N 3.17Å; M926-M930 WeakPolarHBondContact O-CB 3.38Å; M926-M930 PolarHBondContact O-N 3.18Å; M926-F1045 HydrophobicContact CE-CB 3.32Å; M926-F1045 HydrophobicContact CE-CD1 4.31Å; M926-F1045 HydrophobicContact CE-CD2 3.89Å; M926-F1045 HydrophobicContact CE-CG 3.56Å; M926-I1049 HydrophobicContact CE-CD1 3.92Å
927	N	85.7	Confident	80.8	Confident	17 Å²	17	25 Å²	25	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-70.2	-42	-178	-52.1	3.2	0	0	0	109.8	T924 W925 M930 L931 L986 I1037	T924-N927 WeakPolarHBondContact O-CB 3.44Å; T924-N927 PolarHBondContact O-N 2.91Å; W925-N927 VanDerWaalsContact C-N 3.29Å; W925-N927 PolarHBondContact O-N 3.06Å; N927-M930 WeakPolarHBondContact O-CB 3.3Å; N927-M930 PolarHBondContact O-N 3.03Å; N927-L931 PolarHBondContact O-N 3.44Å; N927-L986 HydrophobicContact CB-CB 4.4Å; N927-L986 HydrophobicContact CB-CD1 3.99Å; N927-L986 HydrophobicContact CB-CD2 4.24Å; N927-L986 HydrophobicContact CB-CG 4.45Å; N927-L986 WeakPolarHBondContact O-CD1 3.23Å; N927-I1037 HydrophobicContact CB-CG2 3.94Å
928	V	88.8	Confident	80.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.3	-40.9	177.2	-172.3	0	0	0	0	110.9	L899 W902 T924 W925 M930 L931 F932 K983 L986 L987	L899-V928 HydrophobicContact CD1-CB 3.91Å; L899-V928 HydrophobicContact CD1-CG1 3.61Å; W902-V928 HydrophobicContact CE3-CG1 4.17Å; W902-V928 HydrophobicContact CH2-CG1 4.48Å; W902-V928 HydrophobicContact CZ3-CG1 3.79Å; T924-V928 PolarHBondContact O-N 3.24Å; W925-V928 PolarHBondContact O-N 2.74Å; V928-M930 PolarHBondContact O-N 3.16Å; V928-L931 PolarHBondContact O-N 2.92Å; V928-L931 VanDerWaalsContact O-N 3.16Å; V928-F932 HydrophobicContact CG1-CD2 4.14Å; V928-F932 HydrophobicContact CG1-CE2 3.78Å; V928-F932 WeakPolarHBondContact O-CD2 3.47Å; V928-F932 PolarHBondContact O-N 3.31Å; V928-F932 VanDerWaalsContact O-N 3.16Å; V928-K983 HydrophobicContact CG1-CB 4.14Å; V928-K983 HydrophobicContact CG1-CG 4.23Å; V928-L986 HydrophobicContact CG2-CB 3.94Å; V928-L987 HydrophobicContact CG2-CB 4.18Å
929	L	84.8	Confident	79.9	Confident	2 Å²	2	28 Å²	28	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-58.7	-33.3	173.9	-167.2	68.6	0	0	0	111.9	F892 L895 I896 L899 W925 F932 W933	F892-L929 HydrophobicContact CD2-CD2 4.27Å; F892-L929 HydrophobicContact CE2-CD2 3.57Å; F892-L929 HydrophobicContact CZ-CD2 4.24Å; L895-L929 HydrophobicContact CB-CD1 3.66Å; L895-L929 WeakPolarHBondContact O-CD1 3.38Å; I896-L929 HydrophobicContact CD1-CD1 3.9Å; I896-L929 HydrophobicContact CD1-CD2 3.73Å; I896-L929 HydrophobicContact CD1-CG 4.49Å; I896-L929 HydrophobicContact CG1-CD1 4.42Å; L899-L929 HydrophobicContact CB-CD1 4.3Å; L899-L929 HydrophobicContact CD2-CB 4.31Å; L899-L929 HydrophobicContact CD2-CD1 4.16Å; W925-L929 HydrophobicContact CE3-CD2 4.26Å; W925-L929 HydrophobicContact CZ3-CD2 4.03Å; W925-L929 VanDerWaalsContact O-CB 3.28Å; W925-L929 WeakPolarHBondContact O-CB 3.41Å; W925-L929 PolarHBondContact O-N 3.03Å; L929-F932 PolarHBondContact O-N 2.88Å; L929-W933 PolarHBondContact O-N 3.35Å
930	M	83.7	Confident	78.8	Confident	3 Å²	3	32 Å²	32	2%	0.015	15%	0.153	C	C	.	.	H	α-helix	trans	-67	-38.6	176.8	-162.7	50.1	43.6	0	0	113.1	M926 N927 V928 W933 L934 W959 L961 L965 I1037 L1040 F1045	M926-M930 WeakPolarHBondContact O-CB 3.38Å; M926-M930 PolarHBondContact O-N 3.18Å; N927-M930 WeakPolarHBondContact O-CB 3.3Å; N927-M930 PolarHBondContact O-N 3.03Å; V928-M930 PolarHBondContact O-N 3.16Å; M930-W933 PolarHBondContact O-N 3.44Å; M930-W933 HydrophobicContact SD-CB 4.45Å; M930-W933 HydrophobicContact SD-CE3 4.19Å; M930-L934 HydrophobicContact CG-CD1 4.41Å; M930-L934 WeakPolarHBondContact O-CG 3.43Å; M930-L934 PolarHBondContact O-N 2.9Å; M930-W959 HydrophobicContact CE-CE3 4.34Å; M930-W959 HydrophobicContact CE-CZ3 3.98Å; M930-L961 HydrophobicContact CE-CD1 4.19Å; M930-L961 HydrophobicContact SD-CD1 3.75Å; M930-L961 HydrophobicContact SD-CD2 3.65Å; M930-L961 HydrophobicContact SD-CG 4.2Å; M930-L965 HydrophobicContact CG-CD2 4.4Å; M930-I1037 HydrophobicContact CB-CG2 4.09Å; M930-I1037 HydrophobicContact CG-CG2 4.37Å; M930-L1040 HydrophobicContact CG-CD1 4.13Å; M930-F1045 HydrophobicContact CE-CD1 4.18Å; M930-F1045 HydrophobicContact CE-CE1 3.38Å; M930-F1045 HydrophobicContact CE-CE2 4Å; M930-F1045 HydrophobicContact CE-CZ 3.27Å; M930-F1045 HydrophobicContact SD-CE1 4.38Å; M930-F1045 HydrophobicContact SD-CZ 4.01Å
931	L	88.8	Confident	77.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-41.4	170.5	-73.1	-179.1	0	0	0	111.6	N927 V928 W933 L934 E935 L979 L982 K983 L986 I1037	N927-L931 PolarHBondContact O-N 3.44Å; V928-L931 PolarHBondContact O-N 2.92Å; V928-L931 VanDerWaalsContact O-N 3.16Å; L931-W933 VanDerWaalsContact C-N 3.31Å; L931-W933 PolarHBondContact O-N 2.74Å; L931-L934 PolarHBondContact O-N 3.49Å; L931-E935 VanDerWaalsContact O-CB 3.26Å; L931-E935 WeakPolarHBondContact O-CB 3.42Å; L931-E935 PolarHBondContact O-N 3.08Å; L931-L979 HydrophobicContact CB-CD1 4.09Å; L931-L979 HydrophobicContact CD1-CD1 4.35Å; L931-L979 HydrophobicContact CD2-CD1 3.95Å; L931-L979 HydrophobicContact CG-CD1 4.36Å; L931-L982 HydrophobicContact CD1-CB 3.8Å; L931-K983 HydrophobicContact CB-CG 4.09Å; L931-K983 HydrophobicContact CD1-CB 4.37Å; L931-K983 HydrophobicContact CD1-CG 3.82Å; L931-L986 HydrophobicContact CD1-CD1 3.57Å; L931-L986 HydrophobicContact CD1-CG 4.48Å; L931-L986 HydrophobicContact CG-CD1 3.94Å; L931-I1037 HydrophobicContact CD2-CD1 3.38Å; L931-I1037 HydrophobicContact CG-CD1 3.83Å
932	F	87.7	Confident	75.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-34.7	174.8	-75.5	-58.3	0	0	0	113.3	L895 K898 L899 W902 V928 L929 S936 K983	L895-F932 HydrophobicContact CD2-CB 4.22Å; K898-F932 HydrophobicContact CD-CD1 3.51Å; K898-F932 HydrophobicContact CD-CE1 3.78Å; K898-F932 HydrophobicContact CD-CG 4.29Å; K898-F932 HydrophobicContact CG-CD1 3.98Å; K898-F932 HydrophobicContact CG-CE1 3.84Å; K898-F932 HydrophobicContact CG-CZ 4.41Å; L899-F932 HydrophobicContact CB-CD2 4.15Å; L899-F932 HydrophobicContact CB-CE2 4.1Å; L899-F932 HydrophobicContact CD1-CD2 4.21Å; L899-F932 HydrophobicContact CD1-CE2 3.82Å; W902-F932 HydrophobicContact CB-CE2 4.36Å; W902-F932 HydrophobicContact CB-CZ 3.72Å; W902-F932 HydrophobicContact CD2-CE2 4.31Å; W902-F932 AromaticContact CD2-CZ 3.83Å; W902-F932 HydrophobicContact CD2-CZ 3.83Å; W902-F932 HydrophobicContact CE3-CE2 4.23Å; W902-F932 HydrophobicContact CE3-CZ 4.21Å; W902-F932 HydrophobicContact CG-CE2 4.38Å; W902-F932 AromaticContact CG-CZ 3.59Å; W902-F932 HydrophobicContact CG-CZ 3.59Å; V928-F932 HydrophobicContact CG1-CD2 4.14Å; V928-F932 HydrophobicContact CG1-CE2 3.78Å; V928-F932 WeakPolarHBondContact O-CD2 3.47Å; V928-F932 PolarHBondContact O-N 3.31Å; V928-F932 VanDerWaalsContact O-N 3.16Å; L929-F932 PolarHBondContact O-N 2.88Å; F932-S936 WeakPolarHBondContact O-CB 3.25Å; F932-S936 PolarHBondContact O-N 2.79Å; F932-S936 PolarHBondContact O-OG 3.47Å; F932-K983 HydrophobicContact CE1-CD 3.9Å; F932-K983 HydrophobicContact CE2-CD 4.37Å; F932-K983 HydrophobicContact CZ-CD 3.81Å
933	W	83.7	Confident	74	Confident	16 Å²	16	41.4 Å²	41.4	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-67.5	-50.5	173.5	-175.7	95	0	0	0	111.2	L895 L929 M930 L931 E935 S936 Q937 W959 L961	L895-W933 HydrophobicContact CD1-CB 4Å; L895-W933 HydrophobicContact CD1-CG 4.27Å; L929-W933 PolarHBondContact O-N 3.35Å; M930-W933 PolarHBondContact O-N 3.44Å; M930-W933 HydrophobicContact SD-CB 4.45Å; M930-W933 HydrophobicContact SD-CE3 4.19Å; L931-W933 VanDerWaalsContact C-N 3.31Å; L931-W933 PolarHBondContact O-N 2.74Å; W933-E935 PolarHBondContact O-N 3.33Å; W933-S936 WeakPolarHBondContact O-CB 3.37Å; W933-S936 PolarHBondContact O-N 2.64Å; W933-Q937 HydrophobicContact CD2-CG 3.89Å; W933-Q937 VanDerWaalsContact CE2-NE2 3.29Å; W933-Q937 HydrophobicContact CE3-CG 3.87Å; W933-Q937 HydrophobicContact CH2-CG 3.85Å; W933-Q937 HydrophobicContact CZ2-CG 3.88Å; W933-Q937 HydrophobicContact CZ3-CG 3.84Å; W933-Q937 WeakPolarHBondContact O-CG 3.42Å; W933-Q937 PolarHBondContact O-N 3.39Å; W933-W959 HydrophobicContact CZ2-CB 4.19Å; W933-L961 HydrophobicContact CE3-CD1 4.39Å; W933-L961 HydrophobicContact CE3-CD2 4.27Å; W933-L961 HydrophobicContact CH2-CB 4.47Å; W933-L961 HydrophobicContact CH2-CD1 4.12Å; W933-L961 HydrophobicContact CH2-CD2 4.38Å; W933-L961 HydrophobicContact CZ2-CD1 4.37Å; W933-L961 HydrophobicContact CZ3-CD1 4.14Å; W933-L961 HydrophobicContact CZ3-CD2 3.8Å; W933-L961 HydrophobicContact CZ3-CG 4.42Å
934	L	85.2	Confident	72	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-45.2	178.8	-71.7	164.9	0	0	0	112.1	M930 L931 S936 Q937 Q938 L965 Y969 I1037	M930-L934 HydrophobicContact CG-CD1 4.41Å; M930-L934 WeakPolarHBondContact O-CG 3.43Å; M930-L934 PolarHBondContact O-N 2.9Å; L931-L934 PolarHBondContact O-N 3.49Å; L934-S936 VanDerWaalsContact C-N 3.27Å; L934-S936 PolarHBondContact O-N 3.12Å; L934-Q937 PolarHBondContact O-N 2.77Å; L934-Q938 PolarHBondContact O-N 2.83Å; L934-L965 HydrophobicContact CD1-CD2 4.03Å; L934-L965 HydrophobicContact CD1-CG 4.46Å; L934-Y969 HydrophobicContact CB-CD1 4.28Å; L934-Y969 HydrophobicContact CB-CD2 3.74Å; L934-Y969 HydrophobicContact CB-CE1 4.3Å; L934-Y969 HydrophobicContact CB-CE2 3.74Å; L934-Y969 HydrophobicContact CB-CG 4.04Å; L934-Y969 HydrophobicContact CD1-CD2 3.84Å; L934-Y969 HydrophobicContact CD1-CE2 4.49Å; L934-Y969 HydrophobicContact CD1-CG 4.28Å; L934-Y969 HydrophobicContact CD2-CG 4.23Å; L934-Y969 HydrophobicContact CG-CD2 4.25Å; L934-Y969 HydrophobicContact CG-CG 4.42Å; L934-I1037 HydrophobicContact CD1-CD1 4.29Å
935	E	86.5	Confident	69.5	Low	13 Å²	13	52.5 Å²	52.5	6%	0.061	25%	0.249	C	C	.	.	H	α-helix	trans	-53.8	-45	172.8	-170.7	-156.6	138.7	0	0	111.1	K898 L931 W933 Q938 Q939 L979 K983	K898-E935 IonicContact NZ-OE1 3.81Å; K898-E935 PolarHBondContact NZ-OE1 3.28Å; K898-E935 IonicContact NZ-OE2 2.96Å; K898-E935 PolarHBondContact NZ-OE2 3.39Å; L931-E935 VanDerWaalsContact O-CB 3.26Å; L931-E935 WeakPolarHBondContact O-CB 3.42Å; L931-E935 PolarHBondContact O-N 3.08Å; W933-E935 PolarHBondContact O-N 3.33Å; E935-Q938 PolarHBondContact O-N 3.39Å; E935-Q939 WeakPolarHBondContact O-CG 3.42Å; E935-Q939 PolarHBondContact O-N 3.18Å; E935-Q939 PolarHBondContact OE1-NE2 3.31Å; E935-Q939 VanDerWaalsContact OE1-NE2 3.12Å; E935-L979 HydrophobicContact CB-CD2 3.86Å; E935-L979 HydrophobicContact CG-CD2 3.52Å; E935-K983 IonicContact OE2-NZ 3.61Å; E935-K983 PolarHBondContact OE2-NZ 2.91Å
936	S	78.6	Confident	67.2	Low	28 Å²	28	53.9 Å²	53.9	20%	0.196	26%	0.261	C	S	.	.	H	α-helix	trans	-70.6	-35.1	-178.6	-57.9	0	0	0	0	112.8	L895 F932 W933 L934 Q940	L895-S936 WeakPolarHBondContact CD2-OG 3.34Å; F932-S936 WeakPolarHBondContact O-CB 3.25Å; F932-S936 PolarHBondContact O-N 2.79Å; F932-S936 PolarHBondContact O-OG 3.47Å; W933-S936 WeakPolarHBondContact O-CB 3.37Å; W933-S936 PolarHBondContact O-N 2.64Å; L934-S936 VanDerWaalsContact C-N 3.27Å; L934-S936 PolarHBondContact O-N 3.12Å; S936-Q940 PolarHBondContact O-N 3.32Å
937	Q	70.5	Confident	64.8	Low	34 Å²	34	62.2 Å²	62.2	16%	0.159	29%	0.292	C	S	.	.	H	α-helix	trans	-70.1	-36.9	175.7	-56.5	-44.3	-29	0	0	112.2	W933 L934 Q939 Q940 L941 L954	W933-Q937 HydrophobicContact CD2-CG 3.89Å; W933-Q937 VanDerWaalsContact CE2-NE2 3.29Å; W933-Q937 HydrophobicContact CE3-CG 3.87Å; W933-Q937 HydrophobicContact CH2-CG 3.85Å; W933-Q937 HydrophobicContact CZ2-CG 3.88Å; W933-Q937 HydrophobicContact CZ3-CG 3.84Å; W933-Q937 WeakPolarHBondContact O-CG 3.42Å; W933-Q937 PolarHBondContact O-N 3.39Å; L934-Q937 PolarHBondContact O-N 2.77Å; Q937-Q939 VanDerWaalsContact C-N 3.33Å; Q937-Q939 PolarHBondContact O-N 2.99Å; Q937-Q940 PolarHBondContact O-N 2.68Å; Q937-L941 PolarHBondContact O-N 3.2Å; Q937-L954 HydrophobicContact CB-CD2 3.99Å; Q937-L954 HydrophobicContact CG-CD2 3.87Å
938	Q	70.1	Confident	62	Low	53 Å²	53	68 Å²	68	25%	0.248	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-41.9	175.8	-169.9	-175.8	11.6	0	0	111.5	L934 E935 Q940 L941 Y969	L934-Q938 PolarHBondContact O-N 2.83Å; E935-Q938 PolarHBondContact O-N 3.39Å; Q938-Q940 VanDerWaalsContact C-N 3.33Å; Q938-Q940 PolarHBondContact O-N 2.9Å; Q938-L941 PolarHBondContact O-N 2.8Å; Q938-Y969 HydrophobicContact CB-CE1 4Å; Q938-Y969 HydrophobicContact CG-CE1 4.28Å; Q938-Y969 PolarHBondContact OE1-OH 3.24Å
939	Q	61.3	Low	59.1	Low	93 Å²	93	70.2 Å²	70.2	44%	0.435	34%	0.343	S	S	.	.	H	α-helix	trans	-65.3	-32.7	178	-68.7	174.4	26.5	0	0	112.7	E935 Q937	E935-Q939 WeakPolarHBondContact O-CG 3.42Å; E935-Q939 PolarHBondContact O-N 3.18Å; E935-Q939 PolarHBondContact OE1-NE2 3.31Å; E935-Q939 VanDerWaalsContact OE1-NE2 3.12Å; Q937-Q939 VanDerWaalsContact C-N 3.33Å; Q937-Q939 PolarHBondContact O-N 2.99Å
940	Q	52.8	Low	56.4	Low	108 Å²	108	76.6 Å²	76.6	51%	0.505	39%	0.388	S	S	.	.	H	α-helix	trans	-71.5	-30.9	176.4	-69.4	-173.3	39	0	0	113.5	S936 Q937 Q938 Q942	S936-Q940 PolarHBondContact O-N 3.32Å; Q937-Q940 PolarHBondContact O-N 2.68Å; Q938-Q940 VanDerWaalsContact C-N 3.33Å; Q938-Q940 PolarHBondContact O-N 2.9Å; Q940-Q942 VanDerWaalsContact C-N 3.31Å; Q940-Q942 PolarHBondContact O-N 3.47Å
941	L	45.9	Very low	53.7	Low	89 Å²	89	84.9 Å²	84.9	47%	0.466	42%	0.424	S	S	.	.	H	α-helix	trans	-74.2	-16.9	179.2	-76	166.5	0	0	0	114	Q937 Q938 N943 L954	Q937-L941 PolarHBondContact O-N 3.2Å; Q938-L941 PolarHBondContact O-N 2.8Å; L941-N943 VanDerWaalsContact C-N 3.31Å; L941-L954 HydrophobicContact CD1-CD1 4.36Å; L941-L954 HydrophobicContact CD2-CD1 4.49Å
942	Q	44.8	Very low	50.7	Low	140 Å²	140	88 Å²	88	65%	0.654	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.7	177.3	-70.5	-176.1	-14	0	0	113.6	Q940 P944	Q940-Q942 VanDerWaalsContact C-N 3.31Å; Q940-Q942 PolarHBondContact O-N 3.47Å; Q942-P944 WeakPolarHBondContact O-CD 3.29Å
943	N	35.8	Very low	47.9	Very low	87 Å²	87	94.7 Å²	94.7	47%	0.465	48%	0.477	S	S	.	.			trans	-74.1	119.1	177.3	-73.4	-51.2	0	0	0	111.6	L941 W945 N946	L941-N943 VanDerWaalsContact C-N 3.31Å; N943-W945 PolarHBondContact O-N 3.45Å; N943-W945 VanDerWaalsContact O-N 3.11Å; N943-N946 PolarHBondContact O-N 2.96Å
944	P	31.4	Very low	45.4	Very low	86 Å²	86	96.3 Å²	96.3	56%	0.558	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-59.6	-28.5	-175	-27	35.8	0	0	0	115	Q942 N946 R947	Q942-P944 WeakPolarHBondContact O-CD 3.29Å; P944-N946 VanDerWaalsContact C-N 3.3Å; P944-N946 PolarHBondContact O-N 3.09Å; P944-R947 WeakPolarHBondContact O-CG 3.26Å
945	W	31.5	Very low	42.8	Very low	231 Å²	231	100.8 Å²	100.8	88%	0.875	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-75.7	-10.1	-172.9	-60.6	92.1	0	0	0	114.7	N943	N943-W945 PolarHBondContact O-N 3.45Å; N943-W945 VanDerWaalsContact O-N 3.11Å
946	N	33.8	Very low	40.2	Very low	104 Å²	104	108.6 Å²	108.6	56%	0.556	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-93.6	10	179.9	-74	-5.5	0	0	0	113.9	N943 P944 T948	N943-N946 PolarHBondContact O-N 2.96Å; P944-N946 VanDerWaalsContact C-N 3.3Å; P944-N946 PolarHBondContact O-N 3.09Å; N946-T948 VanDerWaalsContact C-N 3.31Å; N946-T948 PolarHBondContact O-N 3.37Å
947	R	29.4	Very low	38.3	Very low	197 Å²	197	111.5 Å²	111.5	74%	0.743	56%	0.564	S	S	*	*			trans	-78.9	-3.9	-173	-68.6	-175.9	-179.2	-154.9	2.1	115.4	P944 S949	P944-R947 WeakPolarHBondContact O-CG 3.26Å; R947-S949 VanDerWaalsContact C-N 3.34Å; R947-S949 PolarHBondContact O-N 3.11Å
948	T	27.2	Very low	36.7	Very low	138 Å²	138	111.3 Å²	111.3	85%	0.847	57%	0.566	S	S	*	*			trans	-90.7	46.9	-173.2	44.3	0	0	0	0	114.3	N946	N946-T948 VanDerWaalsContact C-N 3.31Å; N946-T948 PolarHBondContact O-N 3.37Å
949	S	28.1	Very low	35.6	Very low	47 Å²	47	110 Å²	110	33%	0.329	56%	0.559	S	S	.	*			trans	-148.2	119.6	166.5	175.3	0	0	0	0	111.2	R947 K951	R947-S949 VanDerWaalsContact C-N 3.34Å; R947-S949 PolarHBondContact O-N 3.11Å; S949-K951 PolarHBondContact O-N 3.1Å; S949-K951 VanDerWaalsContact O-N 3.14Å; S949-K951 PolarHBondContact OG-N 2.9Å; S949-K951 PolarHBondContact OG-O 3.33Å
950	S	27.6	Very low	34.9	Very low	137 Å²	137	109.4 Å²	109.4	96%	0.958	57%	0.565	S	S	*	*	S	Bend	trans	-79.8	16.8	179.1	50.2	0	0	0	0	114.4
951	K	27	Very low	35.1	Very low	177 Å²	177	105.1 Å²	105.1	77%	0.77	55%	0.545	S	S	*	.	S	Bend	trans	-134.9	148.2	160.1	-76	-177	177.5	178.6	0	108.8	S949 Q953	S949-K951 PolarHBondContact O-N 3.1Å; S949-K951 VanDerWaalsContact O-N 3.14Å; S949-K951 PolarHBondContact OG-N 2.9Å; S949-K951 PolarHBondContact OG-O 3.33Å; K951-Q953 PolarHBondContact O-N 3.31Å
952	C	26.3	Very low	35.9	Very low	65 Å²	65	102.9 Å²	102.9	44%	0.439	54%	0.536	S	S	.	.			trans	-59.3	106.1	168.3	-83.3	0	0	0	0	110.4	L954 T955	C952-L954 HydrophobicContact CB-CB 4.28Å; C952-L954 HydrophobicContact CB-CD1 4.22Å; C952-L954 PolarHBondContact O-N 3.14Å; C952-T955 PolarHBondContact O-N 2.92Å; C952-T955 PolarHBondContact O-OG1 3.32Å
953	Q	29.1	Very low	36.9	Very low	141 Å²	141	100.1 Å²	100.1	66%	0.659	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-67.1	0.2	170.9	-76.5	171.9	-33	0	0	113.3	K951 T955 N957	K951-Q953 PolarHBondContact O-N 3.31Å; Q953-T955 PolarHBondContact O-N 3.5Å; Q953-N957 PolarHBondContact O-ND2 3Å
954	L	29.8	Very low	38.7	Very low	49 Å²	49	101.4 Å²	101.4	26%	0.257	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-61.6	-10	169	-73	145.9	0	0	0	114.2	Q937 L941 C952	Q937-L954 HydrophobicContact CB-CD2 3.99Å; Q937-L954 HydrophobicContact CG-CD2 3.87Å; L941-L954 HydrophobicContact CD1-CD1 4.36Å; L941-L954 HydrophobicContact CD2-CD1 4.49Å; C952-L954 HydrophobicContact CB-CB 4.28Å; C952-L954 HydrophobicContact CB-CD1 4.22Å; C952-L954 PolarHBondContact O-N 3.14Å
955	T	31.7	Very low	41	Very low	100 Å²	100	97.6 Å²	97.6	61%	0.613	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-116.3	8.1	-168.4	64.2	0	0	0	0	116.6	C952 Q953	C952-T955 PolarHBondContact O-N 2.92Å; C952-T955 PolarHBondContact O-OG1 3.32Å; Q953-T955 PolarHBondContact O-N 3.5Å
956	E	30.8	Very low	43.4	Very low	176 Å²	176	88 Å²	88	82%	0.822	48%	0.479	S	S	*	.	S	Bend	trans	-97.2	2.9	168.5	-69.5	-174	169.3	0	0	112.8
957	N	38.8	Very low	45.5	Very low	90 Å²	90	87.8 Å²	87.8	48%	0.481	47%	0.474	S	S	.	.	S	Bend	trans	-122.8	90.8	-167.1	-68.1	-69.6	0	0	0	113	M887 Q953 W959	M887-N957 HydrophobicContact CE-CB 4.11Å; M887-N957 WeakPolarHBondContact CE-OD1 3.21Å; Q953-N957 PolarHBondContact O-ND2 3Å; N957-W959 PolarHBondContact O-N 3.17Å
958	C	38.4	Very low	48.2	Very low	30 Å²	30	80.7 Å²	80.7	20%	0.203	45%	0.449	C	S	.	.	S	Bend	trans	48.5	6.3	163.1	-62.4	0	0	0	0	120.5	M887	M887-C958 WeakPolarHBondContact CE-SG 3.43Å
959	W	46.4	Very low	51.2	Low	26 Å²	26	74.5 Å²	74.5	10%	0.098	41%	0.411	C	S	.	.			trans	-143.2	84.7	-177	-60	84.5	0	0	0	109.5	F892 M930 W933 N957 L961 F1045 I1049	F892-W959 AromaticContact CD2-CH2 3.95Å; F892-W959 HydrophobicContact CD2-CH2 3.95Å; F892-W959 AromaticContact CD2-CZ2 3.77Å; F892-W959 HydrophobicContact CD2-CZ2 3.77Å; F892-W959 HydrophobicContact CE2-CH2 4.01Å; F892-W959 HydrophobicContact CE2-CZ2 4.28Å; M930-W959 HydrophobicContact CE-CE3 4.34Å; M930-W959 HydrophobicContact CE-CZ3 3.98Å; W933-W959 HydrophobicContact CZ2-CB 4.19Å; N957-W959 PolarHBondContact O-N 3.17Å; W959-L961 HydrophobicContact CB-CD1 4.1Å; W959-L961 HydrophobicContact CE3-CD1 4.16Å; W959-L961 PolarHBondContact O-N 3.15Å; W959-F1045 AromaticContact CE3-CD1 3.73Å; W959-F1045 HydrophobicContact CE3-CD1 3.73Å; W959-F1045 AromaticContact CE3-CE1 3.72Å; W959-F1045 HydrophobicContact CE3-CE1 3.72Å; W959-F1045 AromaticContact CZ3-CD1 3.56Å; W959-F1045 HydrophobicContact CZ3-CD1 3.56Å; W959-F1045 AromaticContact CZ3-CE1 3.82Å; W959-F1045 HydrophobicContact CZ3-CE1 3.82Å; W959-I1049 HydrophobicContact CE3-CD1 4.43Å; W959-I1049 HydrophobicContact CE3-CG1 4.29Å; W959-I1049 HydrophobicContact CH2-CD1 3.28Å; W959-I1049 HydrophobicContact CH2-CG1 3.61Å; W959-I1049 HydrophobicContact CZ2-CD1 4.05Å; W959-I1049 HydrophobicContact CZ2-CG1 3.91Å; W959-I1049 HydrophobicContact CZ3-CD1 3.52Å; W959-I1049 HydrophobicContact CZ3-CG1 3.82Å
960	S	47.4	Very low	54	Low	80 Å²	80	76.8 Å²	76.8	56%	0.559	41%	0.412	S	S	*	.			trans	-74.5	56.3	169.3	62	0	0	0	0	111.9	N1048	S960-N1048 WeakPolarHBondContact CB-OD1 3.37Å; S960-N1048 PolarHBondContact N-OD1 3.13Å; S960-N1048 PolarHBondContact OG-ND2 3.28Å; S960-N1048 PolarHBondContact OG-OD1 3.49Å
961	L	56.5	Low	56.8	Low	17 Å²	17	76.4 Å²	76.4	9%	0.089	40%	0.399	C	S	.	.			trans	-56.6	145.8	169.4	-110.1	97.8	0	0	0	110.2	M930 W933 W959 T963 L965 F1045	M930-L961 HydrophobicContact CE-CD1 4.19Å; M930-L961 HydrophobicContact SD-CD1 3.75Å; M930-L961 HydrophobicContact SD-CD2 3.65Å; M930-L961 HydrophobicContact SD-CG 4.2Å; W933-L961 HydrophobicContact CE3-CD1 4.39Å; W933-L961 HydrophobicContact CE3-CD2 4.27Å; W933-L961 HydrophobicContact CH2-CB 4.47Å; W933-L961 HydrophobicContact CH2-CD1 4.12Å; W933-L961 HydrophobicContact CH2-CD2 4.38Å; W933-L961 HydrophobicContact CZ2-CD1 4.37Å; W933-L961 HydrophobicContact CZ3-CD1 4.14Å; W933-L961 HydrophobicContact CZ3-CD2 3.8Å; W933-L961 HydrophobicContact CZ3-CG 4.42Å; W959-L961 HydrophobicContact CB-CD1 4.1Å; W959-L961 HydrophobicContact CE3-CD1 4.16Å; W959-L961 PolarHBondContact O-N 3.15Å; L961-T963 PolarHBondContact O-N 3.21Å; L961-T963 VanDerWaalsContact O-N 3.14Å; L961-L965 HydrophobicContact CD2-CD2 3.56Å; L961-F1045 HydrophobicContact CD1-CE1 3.69Å; L961-F1045 HydrophobicContact CD1-CZ 4.07Å; L961-F1045 HydrophobicContact CG-CE1 4.39Å; L961-F1045 HydrophobicContact CG-CZ 4.37Å
962	P	61.7	Low	59.8	Low	42 Å²	42	68.5 Å²	68.5	27%	0.273	37%	0.365	S	S	.	.			trans	-53.8	122.8	167.6	-24.7	34.9	0	0	0	110.2	D964 L965 L1040	P962-D964 HydrophobicContact CB-CB 4.29Å; P962-D964 PolarHBondContact O-N 3.36Å; P962-D964 VanDerWaalsContact O-N 3.13Å; P962-L965 PolarHBondContact O-N 3.44Å; P962-L1040 HydrophobicContact CG-CD2 3.79Å
963	T	66.7	Low	62.8	Low	82 Å²	82	70.9 Å²	70.9	50%	0.503	37%	0.37	S	S	.	.	H	α-helix	trans	-47.9	-39	170.6	32.2	0	0	0	0	111.2	L961 L965 C966 E967	L961-T963 PolarHBondContact O-N 3.21Å; L961-T963 VanDerWaalsContact O-N 3.14Å; T963-L965 VanDerWaalsContact C-N 3.28Å; T963-L965 PolarHBondContact O-N 3.27Å; T963-C966 CarbonylContact O-C 3.57Å; T963-C966 WeakPolarHBondContact O-CB 3.31Å; T963-C966 PolarHBondContact O-N 3.33Å; T963-C966 VanDerWaalsContact O-N 3.1Å; T963-E967 WeakPolarHBondContact O-CG 3.5Å; T963-E967 PolarHBondContact O-N 2.82Å
964	D	72.3	Confident	65.7	Low	115 Å²	115	64.6 Å²	64.6	62%	0.615	34%	0.341	S	S	*	.	H	α-helix	trans	-53.4	-38.3	178.5	-48.1	19.9	0	0	0	112.4	P962 E968	P962-D964 HydrophobicContact CB-CB 4.29Å; P962-D964 PolarHBondContact O-N 3.36Å; P962-D964 VanDerWaalsContact O-N 3.13Å; D964-E968 VanDerWaalsContact O-CB 3.31Å; D964-E968 WeakPolarHBondContact O-CB 3.43Å; D964-E968 PolarHBondContact O-N 2.95Å
965	L	81.6	Confident	68.6	Low	5 Å²	5	64.5 Å²	64.5	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-77.1	-40.2	177.9	-168.8	82.4	0	0	0	111.6	M930 L934 L961 P962 T963 E967 E968 Y969 L1033 I1037 L1040	M930-L965 HydrophobicContact CG-CD2 4.4Å; L934-L965 HydrophobicContact CD1-CD2 4.03Å; L934-L965 HydrophobicContact CD1-CG 4.46Å; L961-L965 HydrophobicContact CD2-CD2 3.56Å; P962-L965 PolarHBondContact O-N 3.44Å; T963-L965 VanDerWaalsContact C-N 3.28Å; T963-L965 PolarHBondContact O-N 3.27Å; L965-E967 PolarHBondContact O-N 3.43Å; L965-E968 PolarHBondContact O-N 2.88Å; L965-Y969 VanDerWaalsContact O-CB 3.3Å; L965-Y969 WeakPolarHBondContact O-CB 3.42Å; L965-Y969 PolarHBondContact O-N 2.92Å; L965-L1033 HydrophobicContact CD1-CD1 4.05Å; L965-I1037 HydrophobicContact CD1-CG1 4.09Å; L965-I1037 HydrophobicContact CD2-CG1 4.21Å; L965-L1040 HydrophobicContact CD2-CD1 3.84Å
966	C	80.5	Confident	71.3	Confident	31 Å²	31	63.9 Å²	63.9	21%	0.209	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-29.7	174.1	-66.7	0	0	0	0	111.4	T963 R970	T963-C966 CarbonylContact O-C 3.57Å; T963-C966 WeakPolarHBondContact O-CB 3.31Å; T963-C966 PolarHBondContact O-N 3.33Å; T963-C966 VanDerWaalsContact O-N 3.1Å; C966-R970 WeakPolarHBondContact O-CB 3.26Å; C966-R970 PolarHBondContact O-N 3.28Å
967	E	79.3	Confident	74.1	Confident	98 Å²	98	57.9 Å²	57.9	46%	0.458	31%	0.31	S	S	.	.	H	α-helix	trans	-79.8	-43.3	172.6	-72.5	-179.9	-170.7	0	0	112.4	T963 L965 Y969 R970 N971	T963-E967 WeakPolarHBondContact O-CG 3.5Å; T963-E967 PolarHBondContact O-N 2.82Å; L965-E967 PolarHBondContact O-N 3.43Å; E967-Y969 VanDerWaalsContact C-N 3.34Å; E967-Y969 PolarHBondContact O-N 2.93Å; E967-R970 CarbonylContact O-C 3.6Å; E967-R970 PolarHBondContact O-N 3Å; E967-R970 VanDerWaalsContact O-N 3.15Å; E967-N971 VanDerWaalsContact O-CB 3.29Å; E967-N971 WeakPolarHBondContact O-CB 3.18Å; E967-N971 PolarHBondContact O-N 3.47Å; E967-N971 PolarHBondContact O-ND2 3.48Å; E967-N971 VanDerWaalsContact O-ND2 3.15Å
968	E	85.7	Confident	76.6	Confident	49 Å²	49	53.6 Å²	53.6	23%	0.229	29%	0.288	C	S	.	.	H	α-helix	trans	-54.4	-49.9	172.4	-176.5	171.1	-146	0	0	110.8	D964 L965 R970 N971 I972 L1033 S1036	D964-E968 VanDerWaalsContact O-CB 3.31Å; D964-E968 WeakPolarHBondContact O-CB 3.43Å; D964-E968 PolarHBondContact O-N 2.95Å; L965-E968 PolarHBondContact O-N 2.88Å; E968-R970 PolarHBondContact O-N 3.45Å; E968-N971 PolarHBondContact O-N 2.95Å; E968-I972 HydrophobicContact CG-CD1 3.85Å; E968-I972 VanDerWaalsContact O-CG1 3.3Å; E968-I972 WeakPolarHBondContact O-CG1 3.42Å; E968-I972 PolarHBondContact O-N 3.46Å; E968-L1033 HydrophobicContact CG-CD1 4.18Å; E968-S1036 PolarHBondContact OE1-OG 3.24Å; E968-S1036 WeakPolarHBondContact OE2-CB 3.29Å; E968-S1036 PolarHBondContact OE2-OG 3.42Å
969	Y	89	Confident	79.2	Confident	8 Å²	8	52.4 Å²	52.4	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-42	175.6	-175.6	-83.4	0	0	0	112.7	L934 Q938 L965 E967 N971 Q973 P974 L979 L1033	L934-Y969 HydrophobicContact CB-CD1 4.28Å; L934-Y969 HydrophobicContact CB-CD2 3.74Å; L934-Y969 HydrophobicContact CB-CE1 4.3Å; L934-Y969 HydrophobicContact CB-CE2 3.74Å; L934-Y969 HydrophobicContact CB-CG 4.04Å; L934-Y969 HydrophobicContact CD1-CD2 3.84Å; L934-Y969 HydrophobicContact CD1-CE2 4.49Å; L934-Y969 HydrophobicContact CD1-CG 4.28Å; L934-Y969 HydrophobicContact CD2-CG 4.23Å; L934-Y969 HydrophobicContact CG-CD2 4.25Å; L934-Y969 HydrophobicContact CG-CG 4.42Å; Q938-Y969 HydrophobicContact CB-CE1 4Å; Q938-Y969 HydrophobicContact CG-CE1 4.28Å; Q938-Y969 PolarHBondContact OE1-OH 3.24Å; L965-Y969 VanDerWaalsContact O-CB 3.3Å; L965-Y969 WeakPolarHBondContact O-CB 3.42Å; L965-Y969 PolarHBondContact O-N 2.92Å; E967-Y969 VanDerWaalsContact C-N 3.34Å; E967-Y969 PolarHBondContact O-N 2.93Å; Y969-N971 VanDerWaalsContact C-N 3.33Å; Y969-N971 PolarHBondContact O-N 2.81Å; Y969-Q973 PolarHBondContact O-N 3.15Å; Y969-P974 HydrophobicContact CD2-CG 4.02Å; Y969-P974 HydrophobicContact CE1-CG 4.47Å; Y969-P974 HydrophobicContact CE2-CG 3.42Å; Y969-P974 VanDerWaalsContact CE2-CG 3.42Å; Y969-L979 HydrophobicContact CE2-CD1 4.23Å; Y969-L1033 HydrophobicContact CD2-CD2 3.94Å
970	R	87.4	Confident	81.3	Confident	94 Å²	94	51.4 Å²	51.4	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-70.5	-25.4	178	-174.7	-171.8	-62.3	137.5	-0.5	113.5	C966 E967 E968 Q973	C966-R970 WeakPolarHBondContact O-CB 3.26Å; C966-R970 PolarHBondContact O-N 3.28Å; E967-R970 CarbonylContact O-C 3.6Å; E967-R970 PolarHBondContact O-N 3Å; E967-R970 VanDerWaalsContact O-N 3.15Å; E968-R970 PolarHBondContact O-N 3.45Å; R970-Q973 WeakPolarHBondContact O-CG 3.4Å; R970-Q973 PolarHBondContact O-NE2 3.28Å
971	N	87.2	Confident	83.4	Confident	130 Å²	130	47.8 Å²	47.8	70%	0.695	25%	0.25	S	C	*	.	H	α-helix	trans	-83.7	-36.6	177.9	-69.1	-22.9	0	0	0	111.7	E967 E968 Y969	E967-N971 VanDerWaalsContact O-CB 3.29Å; E967-N971 WeakPolarHBondContact O-CB 3.18Å; E967-N971 PolarHBondContact O-N 3.47Å; E967-N971 PolarHBondContact O-ND2 3.48Å; E967-N971 VanDerWaalsContact O-ND2 3.15Å; E968-N971 PolarHBondContact O-N 2.95Å; Y969-N971 VanDerWaalsContact C-N 3.33Å; Y969-N971 PolarHBondContact O-N 2.81Å
972	I	89.2	Confident	85.2	Confident	11 Å²	11	47 Å²	47	6%	0.056	25%	0.246	C	C	.	.	H	α-helix	trans	-74.9	-44.4	176.3	-64.5	167.5	0	0	0	110.8	E968 R1026 Q1029 L1030 L1033	E968-I972 HydrophobicContact CG-CD1 3.85Å; E968-I972 VanDerWaalsContact O-CG1 3.3Å; E968-I972 WeakPolarHBondContact O-CG1 3.42Å; E968-I972 PolarHBondContact O-N 3.46Å; I972-R1026 PolarHBondContact O-NH1 2.94Å; I972-Q1029 HydrophobicContact CD1-CB 4.02Å; I972-Q1029 WeakPolarHBondContact CD1-O 3.48Å; I972-Q1029 HydrophobicContact CG1-CB 4.04Å; I972-L1030 HydrophobicContact CG2-CD2 3.54Å; I972-L1030 HydrophobicContact CG2-CG 4.04Å; I972-L1033 HydrophobicContact CD1-CB 3.9Å; I972-L1033 HydrophobicContact CD1-CD2 4.41Å
973	Q	89.1	Confident	86.7	Confident	115 Å²	115	45 Å²	45	54%	0.537	23%	0.233	S	C	.	.			trans	50.9	72.7	-172.9	-52.8	-169.2	14.2	0	0	111.5	Y969 R970 R1026	Y969-Q973 PolarHBondContact O-N 3.15Å; R970-Q973 WeakPolarHBondContact O-CG 3.4Å; R970-Q973 PolarHBondContact O-NE2 3.28Å; Q973-R1026 PolarHBondContact O-NH2 3.36Å
974	P	90.5	Very high	87.8	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.058	21%	0.21	C	C	.	.			trans	-65.3	139.3	177	27.8	-33.6	0	0	0	110.8	Y969 E978 L979 L1030	Y969-P974 HydrophobicContact CD2-CG 4.02Å; Y969-P974 HydrophobicContact CE1-CG 4.47Å; Y969-P974 HydrophobicContact CE2-CG 3.42Å; Y969-P974 VanDerWaalsContact CE2-CG 3.42Å; P974-E978 WeakPolarHBondContact CA-OE2 3.29Å; P974-E978 HydrophobicContact CB-CB 4.31Å; P974-L979 HydrophobicContact CB-CB 4.45Å; P974-L979 HydrophobicContact CG-CD1 4.45Å; P974-L1030 HydrophobicContact CB-CD2 3.86Å
975	D	90	Very high	88.8	Confident	46 Å²	46	35.9 Å²	35.9	25%	0.246	18%	0.181	C	C	.	.			trans	-80	-179.4	170.2	75.7	43.8	0	0	0	112.1	I977 E978 L979 Y1015	D975-I977 PolarHBondContact O-N 3.34Å; D975-I977 WeakPolarHBondContact OD1-CA 3.47Å; D975-I977 PolarHBondContact OD1-N 2.88Å; D975-E978 PolarHBondContact N-OE2 2.9Å; D975-E978 PolarHBondContact OD1-N 2.8Å; D975-L979 WeakPolarHBondContact O-CB 3.3Å; D975-L979 PolarHBondContact O-N 2.98Å; D975-Y1015 WeakPolarHBondContact OD2-CE1 3.35Å; D975-Y1015 PolarHBondContact OD2-OH 3.35Å
976	T	88.6	Confident	89.2	Confident	87 Å²	87	35.6 Å²	35.6	53%	0.534	18%	0.18	S	C	.	.	H	α-helix	trans	-64.8	-35.1	-177.8	44.9	0	0	0	0	114.2	N980	T976-N980 VanDerWaalsContact O-CB 3.29Å; T976-N980 WeakPolarHBondContact O-CB 3.49Å; T976-N980 PolarHBondContact O-N 2.93Å; T976-N980 VanDerWaalsContact O-N 3.16Å; T976-N980 PolarHBondContact O-ND2 2.7Å; T976-N980 VanDerWaalsContact O-ND2 3.1Å
977	I	88.8	Confident	89.6	Confident	51 Å²	51	34.2 Å²	34.2	26%	0.262	17%	0.17	S	C	.	.	H	α-helix	trans	-79.5	-47.1	-178.2	-64.9	174.9	0	0	0	109.3	D975 L979 N980 L981 Y1015	D975-I977 PolarHBondContact O-N 3.34Å; D975-I977 WeakPolarHBondContact OD1-CA 3.47Å; D975-I977 PolarHBondContact OD1-N 2.88Å; I977-L979 PolarHBondContact O-N 2.99Å; I977-N980 PolarHBondContact O-N 3.11Å; I977-L981 HydrophobicContact CG2-CD1 4Å; I977-L981 WeakPolarHBondContact O-CG 3.41Å; I977-L981 PolarHBondContact O-N 2.94Å; I977-Y1015 HydrophobicContact CB-CE1 4.27Å; I977-Y1015 HydrophobicContact CB-CE2 3.99Å; I977-Y1015 HydrophobicContact CD1-CE2 3.68Å; I977-Y1015 HydrophobicContact CG1-CE2 4.43Å; I977-Y1015 HydrophobicContact CG2-CD1 4.45Å; I977-Y1015 HydrophobicContact CG2-CD2 3.83Å; I977-Y1015 HydrophobicContact CG2-CE1 4.32Å; I977-Y1015 HydrophobicContact CG2-CE2 3.68Å; I977-Y1015 HydrophobicContact CG2-CG 4.22Å
978	E	93.2	Very high	89.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-55.3	-49.7	172.9	-65.5	172	160.1	0	0	111.2	P974 D975 N980 L981 L982 Y1015 E1016 H1020 R1026 L1030	P974-E978 WeakPolarHBondContact CA-OE2 3.29Å; P974-E978 HydrophobicContact CB-CB 4.31Å; D975-E978 PolarHBondContact N-OE2 2.9Å; D975-E978 PolarHBondContact OD1-N 2.8Å; E978-N980 VanDerWaalsContact C-N 3.29Å; E978-N980 PolarHBondContact O-N 3.29Å; E978-L981 PolarHBondContact O-N 2.8Å; E978-L982 WeakPolarHBondContact O-CB 3.19Å; E978-L982 VanDerWaalsContact O-CG 3.29Å; E978-L982 WeakPolarHBondContact O-CG 3.07Å; E978-L982 PolarHBondContact O-N 3.43Å; E978-Y1015 HydrophobicContact CG-CD1 3.92Å; E978-Y1015 HydrophobicContact CG-CE1 3.79Å; E978-E1016 WeakPolarHBondContact CG-OE1 3.43Å; E978-H1020 IonicContact OE1-CD2 2.64Å; E978-H1020 PolarHBondContact OE1-CD2 2.97Å; E978-H1020 IonicContact OE1-NE2 2.72Å; E978-R1026 IonicContact OE1-CZ 2.77Å; E978-R1026 VanDerWaalsContact OE1-CZ 3.24Å; E978-R1026 IonicContact OE1-NE 3.71Å; E978-R1026 PolarHBondContact OE1-NE 3.18Å; E978-R1026 IonicContact OE1-NH2 2.99Å; E978-R1026 PolarHBondContact OE1-NH2 3.43Å; E978-R1026 IonicContact OE2-CZ 3.43Å; E978-R1026 IonicContact OE2-NE 3.61Å; E978-R1026 IonicContact OE2-NH2 2.66Å; E978-R1026 PolarHBondContact OE2-NH2 3.12Å; E978-L1030 HydrophobicContact CB-CD1 4.31Å; E978-L1030 HydrophobicContact CB-CD2 4.26Å; E978-L1030 HydrophobicContact CG-CD1 4.08Å
979	L	91.8	Very high	89.7	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-38.7	178.6	-177.9	69.5	0	0	0	111.9	L931 E935 Y969 P974 D975 I977 L982 K983	L931-L979 HydrophobicContact CB-CD1 4.09Å; L931-L979 HydrophobicContact CD1-CD1 4.35Å; L931-L979 HydrophobicContact CD2-CD1 3.95Å; L931-L979 HydrophobicContact CG-CD1 4.36Å; E935-L979 HydrophobicContact CB-CD2 3.86Å; E935-L979 HydrophobicContact CG-CD2 3.52Å; Y969-L979 HydrophobicContact CE2-CD1 4.23Å; P974-L979 HydrophobicContact CB-CB 4.45Å; P974-L979 HydrophobicContact CG-CD1 4.45Å; D975-L979 WeakPolarHBondContact O-CB 3.3Å; D975-L979 PolarHBondContact O-N 2.98Å; I977-L979 PolarHBondContact O-N 2.99Å; L979-L982 PolarHBondContact O-N 2.83Å; L979-K983 VanDerWaalsContact O-CG 3.29Å; L979-K983 WeakPolarHBondContact O-CG 3.17Å; L979-K983 PolarHBondContact O-N 3.34Å
980	N	89.9	Confident	89.1	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-74	-37.8	179.5	-72.8	-15.2	0	0	0	112.5	F451 E454 T976 I977 E978 L982 K983 M984	F451-N980 HydrophobicContact CD1-CB 4.11Å; F451-N980 HydrophobicContact CE1-CB 3.86Å; E454-N980 VanDerWaalsContact CD-ND2 3.29Å; E454-N980 PolarHBondContact OE2-ND2 2.76Å; E454-N980 PolarHBondContact OE2-OD1 2.96Å; T976-N980 VanDerWaalsContact O-CB 3.29Å; T976-N980 WeakPolarHBondContact O-CB 3.49Å; T976-N980 PolarHBondContact O-N 2.93Å; T976-N980 VanDerWaalsContact O-N 3.16Å; T976-N980 PolarHBondContact O-ND2 2.7Å; T976-N980 VanDerWaalsContact O-ND2 3.1Å; I977-N980 PolarHBondContact O-N 3.11Å; E978-N980 VanDerWaalsContact C-N 3.29Å; E978-N980 PolarHBondContact O-N 3.29Å; N980-L982 VanDerWaalsContact C-N 3.31Å; N980-L982 PolarHBondContact O-N 2.83Å; N980-K983 PolarHBondContact O-N 3.11Å; N980-K983 WeakPolarHBondContact OD1-CD 3Å; N980-K983 PolarHBondContact OD1-NZ 3.01Å; N980-M984 WeakPolarHBondContact O-CB 3.19Å; N980-M984 VanDerWaalsContact O-CG 3.23Å; N980-M984 WeakPolarHBondContact O-CG 3.42Å; N980-M984 PolarHBondContact O-N 3.13Å
981	L	92.9	Very high	88.1	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-39.5	168.6	-70.1	168.4	0	0	0	111	F451 I977 E978 M984 I985 L1008 Q1011 L1012	F451-L981 HydrophobicContact CZ-CD2 4.1Å; F451-L981 HydrophobicContact CZ-CG 4.48Å; I977-L981 HydrophobicContact CG2-CD1 4Å; I977-L981 WeakPolarHBondContact O-CG 3.41Å; I977-L981 PolarHBondContact O-N 2.94Å; E978-L981 PolarHBondContact O-N 2.8Å; L981-M984 PolarHBondContact O-N 2.71Å; L981-I985 WeakPolarHBondContact O-CB 3.42Å; L981-I985 WeakPolarHBondContact O-CD1 3.48Å; L981-I985 WeakPolarHBondContact O-CG1 3.27Å; L981-I985 PolarHBondContact O-N 3.2Å; L981-L1008 HydrophobicContact CD2-CD2 4.22Å; L981-Q1011 HydrophobicContact CD2-CB 4.11Å; L981-L1012 HydrophobicContact CB-CD1 4.17Å; L981-L1012 HydrophobicContact CD1-CB 4.18Å; L981-L1012 HydrophobicContact CD1-CD1 3.97Å
982	L	93.5	Very high	86.9	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-44.5	174	-70.2	176.6	0	0	0	112.8	L931 E978 L979 N980 M984 I985 L986 L1012 L1030 L1033 N1034	L931-L982 HydrophobicContact CD1-CB 3.8Å; E978-L982 WeakPolarHBondContact O-CB 3.19Å; E978-L982 VanDerWaalsContact O-CG 3.29Å; E978-L982 WeakPolarHBondContact O-CG 3.07Å; E978-L982 PolarHBondContact O-N 3.43Å; L979-L982 PolarHBondContact O-N 2.83Å; N980-L982 VanDerWaalsContact C-N 3.31Å; N980-L982 PolarHBondContact O-N 2.83Å; L982-M984 VanDerWaalsContact C-N 3.34Å; L982-M984 PolarHBondContact O-N 3.31Å; L982-I985 PolarHBondContact O-N 3.23Å; L982-L986 WeakPolarHBondContact O-CG 3.32Å; L982-L986 PolarHBondContact O-N 2.83Å; L982-L1012 HydrophobicContact CD2-CD2 4.42Å; L982-L1030 HydrophobicContact CD1-CB 4.22Å; L982-L1030 HydrophobicContact CD1-CD2 3.77Å; L982-L1030 HydrophobicContact CD2-CB 4.16Å; L982-L1030 VanDerWaalsContact CD2-O 3.27Å; L982-L1030 WeakPolarHBondContact CD2-O 3.41Å; L982-L1033 HydrophobicContact CD1-CD2 4.2Å; L982-N1034 HydrophobicContact CD2-CB 4.21Å; L982-N1034 VanDerWaalsContact CD2-ND2 3.34Å; L982-N1034 WeakPolarHBondContact CD2-ND2 3.41Å; L982-N1034 PolarHBondContact O-ND2 3.19Å; L982-N1034 VanDerWaalsContact O-ND2 3.15Å
983	K	92.9	Very high	85.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.2	-45.8	173.1	-71.4	166.6	-172.4	157.1	0	111.1	W902 V928 L931 F932 E935 L979 N980 L986 L987	W902-K983 HydrophobicContact CH2-CB 3.51Å; W902-K983 HydrophobicContact CZ2-CB 3.52Å; W902-K983 HydrophobicContact CZ2-CD 4.14Å; W902-K983 HydrophobicContact CZ2-CG 4.47Å; W902-K983 HydrophobicContact CZ3-CB 4.23Å; V928-K983 HydrophobicContact CG1-CB 4.14Å; V928-K983 HydrophobicContact CG1-CG 4.23Å; L931-K983 HydrophobicContact CB-CG 4.09Å; L931-K983 HydrophobicContact CD1-CB 4.37Å; L931-K983 HydrophobicContact CD1-CG 3.82Å; F932-K983 HydrophobicContact CE1-CD 3.9Å; F932-K983 HydrophobicContact CE2-CD 4.37Å; F932-K983 HydrophobicContact CZ-CD 3.81Å; E935-K983 IonicContact OE2-NZ 3.61Å; E935-K983 PolarHBondContact OE2-NZ 2.91Å; L979-K983 VanDerWaalsContact O-CG 3.29Å; L979-K983 WeakPolarHBondContact O-CG 3.17Å; L979-K983 PolarHBondContact O-N 3.34Å; N980-K983 PolarHBondContact O-N 3.11Å; N980-K983 WeakPolarHBondContact OD1-CD 3Å; N980-K983 PolarHBondContact OD1-NZ 3.01Å; K983-L986 PolarHBondContact O-N 3.23Å; K983-L987 PolarHBondContact O-N 2.87Å
984	M	91.3	Very high	84.2	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.02	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-48.4	177.1	-72	-70	-78.1	0	0	111.8	F447 W902 I906 N980 L981 L982 L986 L987 F988 L1008	F447-M984 HydrophobicContact CD1-CE 3.96Å; F447-M984 HydrophobicContact CE1-CE 3.49Å; F447-M984 VanDerWaalsContact CE1-CE 3.49Å; F447-M984 HydrophobicContact CZ-CE 4.41Å; W902-M984 HydrophobicContact CH2-CG 4.05Å; W902-M984 HydrophobicContact CH2-SD 3.76Å; W902-M984 HydrophobicContact CZ2-CG 3.89Å; W902-M984 HydrophobicContact CZ2-SD 3.84Å; I906-M984 HydrophobicContact CD1-SD 3.75Å; I906-M984 HydrophobicContact CG1-SD 4.08Å; I906-M984 HydrophobicContact CG2-CE 3.86Å; I906-M984 HydrophobicContact CG2-SD 4.09Å; N980-M984 WeakPolarHBondContact O-CB 3.19Å; N980-M984 VanDerWaalsContact O-CG 3.23Å; N980-M984 WeakPolarHBondContact O-CG 3.42Å; N980-M984 PolarHBondContact O-N 3.13Å; L981-M984 PolarHBondContact O-N 2.71Å; L982-M984 VanDerWaalsContact C-N 3.34Å; L982-M984 PolarHBondContact O-N 3.31Å; M984-L986 VanDerWaalsContact C-N 3.25Å; M984-L986 PolarHBondContact O-N 3.37Å; M984-L987 PolarHBondContact O-N 2.74Å; M984-L987 VanDerWaalsContact O-N 3.16Å; M984-F988 HydrophobicContact CE-CD2 4.47Å; M984-F988 HydrophobicContact CE-CE2 3.77Å; M984-F988 WeakPolarHBondContact O-CD2 3.29Å; M984-F988 PolarHBondContact O-N 3.28Å; M984-F988 VanDerWaalsContact O-N 3.13Å; M984-F988 HydrophobicContact SD-CE2 4.29Å; M984-L1008 HydrophobicContact CB-CD1 3.85Å; M984-L1008 HydrophobicContact CB-CD2 3.77Å; M984-L1008 HydrophobicContact CB-CG 4.44Å; M984-L1008 HydrophobicContact CE-CD2 4.16Å; M984-L1008 HydrophobicContact CG-CD2 4.34Å
985	I	91.6	Very high	83.1	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-58	-39.1	176.5	-71.6	165.5	0	0	0	110.7	L981 L982 N989 L1008 R1009 L1012 L1031	L981-I985 WeakPolarHBondContact O-CB 3.42Å; L981-I985 WeakPolarHBondContact O-CD1 3.48Å; L981-I985 WeakPolarHBondContact O-CG1 3.27Å; L981-I985 PolarHBondContact O-N 3.2Å; L982-I985 PolarHBondContact O-N 3.23Å; I985-N989 VanDerWaalsContact O-CB 3.31Å; I985-N989 WeakPolarHBondContact O-CB 3.02Å; I985-N989 PolarHBondContact O-N 3.41Å; I985-L1008 HydrophobicContact CD1-CB 4.42Å; I985-L1008 HydrophobicContact CG1-CB 3.77Å; I985-R1009 HydrophobicContact CD1-CG 4.27Å; I985-L1012 HydrophobicContact CD1-CD2 4.07Å; I985-L1031 HydrophobicContact CD1-CD2 4.28Å
986	L	90.7	Very high	81.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69	-43.4	174.4	-71.5	-179.5	0	0	0	113.1	T924 N927 V928 L931 L982 K983 M984 F988 N989 N1034 I1037 Q1038	T924-L986 VanDerWaalsContact CB-O 3.27Å; T924-L986 WeakPolarHBondContact CB-O 3.37Å; T924-L986 VanDerWaalsContact CG2-O 3.23Å; T924-L986 WeakPolarHBondContact CG2-O 3.46Å; N927-L986 HydrophobicContact CB-CB 4.4Å; N927-L986 HydrophobicContact CB-CD1 3.99Å; N927-L986 HydrophobicContact CB-CD2 4.24Å; N927-L986 HydrophobicContact CB-CG 4.45Å; N927-L986 WeakPolarHBondContact O-CD1 3.23Å; V928-L986 HydrophobicContact CG2-CB 3.94Å; L931-L986 HydrophobicContact CD1-CD1 3.57Å; L931-L986 HydrophobicContact CD1-CG 4.48Å; L931-L986 HydrophobicContact CG-CD1 3.94Å; L982-L986 WeakPolarHBondContact O-CG 3.32Å; L982-L986 PolarHBondContact O-N 2.83Å; K983-L986 PolarHBondContact O-N 3.23Å; M984-L986 VanDerWaalsContact C-N 3.25Å; M984-L986 PolarHBondContact O-N 3.37Å; L986-F988 VanDerWaalsContact C-N 3.33Å; L986-F988 PolarHBondContact O-N 3.27Å; L986-N989 WeakPolarHBondContact O-CB 3.4Å; L986-N989 PolarHBondContact O-N 3.47Å; L986-N1034 WeakPolarHBondContact CD1-OD1 3.43Å; L986-N1034 HydrophobicContact CD2-CB 4.1Å; L986-N1034 VanDerWaalsContact CG-OD1 3.31Å; L986-N1034 WeakPolarHBondContact CG-OD1 3.34Å; L986-I1037 HydrophobicContact CD1-CD1 4.46Å; L986-I1037 HydrophobicContact CD1-CG2 4.22Å; L986-Q1038 HydrophobicContact CD2-CG 3.97Å
987	L	88.4	Confident	80.7	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-58	-46	-178.8	179.3	65.9	0	0	0	111.4	W902 V903 I906 F909 T924 V928 K983 M984 N989	W902-L987 HydrophobicContact CH2-CD2 4.42Å; W902-L987 HydrophobicContact CZ3-CB 4.44Å; W902-L987 HydrophobicContact CZ3-CD2 4.07Å; V903-L987 HydrophobicContact CG2-CD1 4.39Å; V903-L987 HydrophobicContact CG2-CD2 4.46Å; I906-L987 HydrophobicContact CD1-CD2 3.35Å; F909-L987 HydrophobicContact CD2-CD2 4.23Å; F909-L987 HydrophobicContact CE2-CD2 4.27Å; T924-L987 WeakPolarHBondContact CG2-O 3.28Å; T924-L987 PolarHBondContact OG1-O 3.35Å; V928-L987 HydrophobicContact CG2-CB 4.18Å; K983-L987 PolarHBondContact O-N 2.87Å; M984-L987 PolarHBondContact O-N 2.74Å; M984-L987 VanDerWaalsContact O-N 3.16Å; L987-N989 VanDerWaalsContact C-N 3.32Å; L987-N989 PolarHBondContact O-N 3.26Å
988	F	86.6	Confident	79.9	Confident	5 Å²	5	36.5 Å²	36.5	2%	0.022	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2	-178.6	-72.6	-78.2	0	0	0	114.5	L912 L920 M984 L986 V990 I1001 I1004 Q1005 L1008	L912-F988 HydrophobicContact CD1-CE1 4.2Å; L920-F988 HydrophobicContact CD1-CD1 3.93Å; L920-F988 HydrophobicContact CD1-CE1 3.93Å; M984-F988 HydrophobicContact CE-CD2 4.47Å; M984-F988 HydrophobicContact CE-CE2 3.77Å; M984-F988 WeakPolarHBondContact O-CD2 3.29Å; M984-F988 PolarHBondContact O-N 3.28Å; M984-F988 VanDerWaalsContact O-N 3.13Å; M984-F988 HydrophobicContact SD-CE2 4.29Å; L986-F988 VanDerWaalsContact C-N 3.33Å; L986-F988 PolarHBondContact O-N 3.27Å; F988-V990 VanDerWaalsContact C-N 3.31Å; F988-V990 PolarHBondContact O-N 3.32Å; F988-I1001 HydrophobicContact CD1-CG1 4.23Å; F988-I1001 HydrophobicContact CD1-CG2 4.43Å; F988-I1004 HydrophobicContact CD1-CG2 4Å; F988-I1004 HydrophobicContact CD2-CG2 3.96Å; F988-I1004 HydrophobicContact CE1-CD1 4.29Å; F988-I1004 HydrophobicContact CE1-CG2 4.13Å; F988-I1004 HydrophobicContact CE2-CG2 4.12Å; F988-I1004 HydrophobicContact CG-CG2 3.92Å; F988-I1004 HydrophobicContact CZ-CG2 4.2Å; F988-Q1005 HydrophobicContact CB-CG 4.12Å; F988-Q1005 PolarHBondContact O-NE2 3.25Å; F988-L1008 HydrophobicContact CD2-CD1 3.97Å
989	N	81.8	Confident	78.9	Confident	44 Å²	44	44.3 Å²	44.3	24%	0.235	23%	0.232	C	C	.	.			trans	-79.5	71.3	-177.7	-171.5	87	0	0	0	112.7	T924 I985 L986 L987 Q1038	T924-N989 WeakPolarHBondContact CG2-O 3.46Å; I985-N989 VanDerWaalsContact O-CB 3.31Å; I985-N989 WeakPolarHBondContact O-CB 3.02Å; I985-N989 PolarHBondContact O-N 3.41Å; L986-N989 WeakPolarHBondContact O-CB 3.4Å; L986-N989 PolarHBondContact O-N 3.47Å; L987-N989 VanDerWaalsContact C-N 3.32Å; L987-N989 PolarHBondContact O-N 3.26Å; N989-Q1038 PolarHBondContact ND2-OE1 3.42Å
990	V	74.7	Confident	78	Confident	8 Å²	8	46.2 Å²	46.2	5%	0.048	25%	0.245	C	C	.	.	S	Bend	trans	-120.7	152.9	170.5	171.2	0	0	0	0	109.8	I919 L920 R923 T924 F988 E994 I995	I919-V990 HydrophobicContact CG2-CG1 4.12Å; L920-V990 HydrophobicContact CD2-CB 3.99Å; L920-V990 HydrophobicContact CD2-CG2 3.8Å; R923-V990 HydrophobicContact CB-CG2 3.79Å; R923-V990 HydrophobicContact CG-CG2 4.38Å; T924-V990 HydrophobicContact CG2-CG2 3.78Å; F988-V990 VanDerWaalsContact C-N 3.31Å; F988-V990 PolarHBondContact O-N 3.32Å; V990-E994 HydrophobicContact CG1-CB 4.08Å; V990-I995 HydrophobicContact CB-CD1 3.93Å; V990-I995 HydrophobicContact CG1-CD1 3.69Å; V990-I995 HydrophobicContact CG1-CG1 4.11Å
991	N	68.2	Low	77.4	Confident	102 Å²	102	46.2 Å²	46.2	55%	0.545	25%	0.245	S	C	.	.			trans	-69.1	135.5	-178.8	-55.3	-78.2	0	0	0	110.3	L993 E994	N991-L993 PolarHBondContact O-N 3.37Å; N991-E994 HydrophobicContact CB-CG 4.12Å; N991-E994 VanDerWaalsContact CB-OE2 3.31Å; N991-E994 WeakPolarHBondContact CB-OE2 3.42Å; N991-E994 PolarHBondContact N-OE2 3.08Å; N991-E994 PolarHBondContact ND2-OE2 2.99Å; N991-E994 WeakPolarHBondContact O-CB 3.38Å; N991-E994 PolarHBondContact O-N 2.97Å
992	P	62.1	Low	76.7	Confident	65 Å²	65	50.3 Å²	50.3	42%	0.422	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-58.6	-21	-179.3	-26.9	34.8	0	0	0	114.9	E994 S998	P992-E994 PolarHBondContact O-N 3.18Å; P992-S998 WeakPolarHBondContact O-CB 3.5Å
993	L	58.4	Low	76.1	Confident	173 Å²	173	55 Å²	55	91%	0.906	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-69.5	-14.3	176.3	-63.8	174.5	0	0	0	114.1	N991	N991-L993 PolarHBondContact O-N 3.37Å
994	E	62	Low	75.6	Confident	64 Å²	64	56.9 Å²	56.9	30%	0.299	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-104.4	2.3	-168.9	-55.9	179.2	110.6	0	0	112.5	I919 R923 V990 N991 P992	I919-E994 WeakPolarHBondContact CD1-O 3.44Å; R923-E994 VanDerWaalsContact CZ-CD 3.47Å; R923-E994 IonicContact CZ-OE1 2.76Å; R923-E994 IonicContact CZ-OE2 2.79Å; R923-E994 IonicContact NE-OE1 2.7Å; R923-E994 PolarHBondContact NE-OE1 3.03Å; R923-E994 IonicContact NE-OE2 3.85Å; R923-E994 PolarHBondContact NE-OE2 3.2Å; R923-E994 IonicContact NH2-OE1 3.51Å; R923-E994 PolarHBondContact NH2-OE1 2.66Å; R923-E994 IonicContact NH2-OE2 2.64Å; V990-E994 HydrophobicContact CG1-CB 4.08Å; N991-E994 HydrophobicContact CB-CG 4.12Å; N991-E994 VanDerWaalsContact CB-OE2 3.31Å; N991-E994 WeakPolarHBondContact CB-OE2 3.42Å; N991-E994 PolarHBondContact N-OE2 3.08Å; N991-E994 PolarHBondContact ND2-OE2 2.99Å; N991-E994 WeakPolarHBondContact O-CB 3.38Å; N991-E994 PolarHBondContact O-N 2.97Å; P992-E994 PolarHBondContact O-N 3.18Å
995	I	67.9	Low	75.4	Confident	15 Å²	15	57.9 Å²	57.9	8%	0.077	30%	0.3	C	S	.	.	S	Bend	trans	-137	139	-167.5	-75.7	-179.2	0	0	0	111	D916 I919 L920 V990 R997 S998 I1001	D916-I995 HydrophobicContact CB-CG2 4.23Å; I919-I995 HydrophobicContact CG2-CD1 3.86Å; I919-I995 HydrophobicContact CG2-CG1 3.4Å; L920-I995 HydrophobicContact CD2-CD1 3.66Å; L920-I995 HydrophobicContact CG-CD1 4.11Å; V990-I995 HydrophobicContact CB-CD1 3.93Å; V990-I995 HydrophobicContact CG1-CD1 3.69Å; V990-I995 HydrophobicContact CG1-CG1 4.11Å; I995-R997 VanDerWaalsContact C-N 3.3Å; I995-R997 PolarHBondContact O-N 3.31Å; I995-S998 PolarHBondContact O-N 3.33Å; I995-I1001 HydrophobicContact CD1-CD1 3.79Å; I995-I1001 HydrophobicContact CG2-CD1 3.72Å
996	S	62.3	Low	75.1	Confident	84 Å²	84	63.8 Å²	63.8	59%	0.587	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.4	-172.3	-40	0	0	0	0	113.6	D916	D916-S996 WeakPolarHBondContact OD1-CB 3.26Å; D916-S996 PolarHBondContact OD1-N 2.82Å; D916-S996 PolarHBondContact OD1-OG 3.39Å
997	R	65.1	Low	75	Confident	140 Å²	140	66.1 Å²	66.1	53%	0.528	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	51.4	178.8	-63.9	-178.3	171.9	162.4	-2.3	111.9	S911 I995 E999 S1000	S911-R997 PolarHBondContact O-NH1 2.77Å; S911-R997 VanDerWaalsContact O-NH1 3.11Å; I995-R997 VanDerWaalsContact C-N 3.3Å; I995-R997 PolarHBondContact O-N 3.31Å; R997-E999 VanDerWaalsContact C-N 3.29Å; R997-E999 PolarHBondContact O-N 3.42Å; R997-E999 VanDerWaalsContact O-N 3.16Å; R997-S1000 WeakPolarHBondContact CB-OG 3.46Å; R997-S1000 PolarHBondContact O-N 3.49Å; R997-S1000 PolarHBondContact O-OG 3.48Å
998	S	72.3	Confident	75	Confident	46 Å²	46	66.2 Å²	66.2	32%	0.322	33%	0.333	S	S	.	.	H	α-helix	trans	-37.6	-51.3	178.8	58.9	0	0	0	0	114.7	P992 I995 S1000 I1001 D1002	P992-S998 WeakPolarHBondContact O-CB 3.5Å; I995-S998 PolarHBondContact O-N 3.33Å; S998-S1000 PolarHBondContact O-N 3.39Å; S998-I1001 PolarHBondContact O-N 2.9Å; S998-D1002 PolarHBondContact O-N 3.48Å; S998-D1002 VanDerWaalsContact O-N 3.14Å
999	E	73.4	Confident	75.2	Confident	165 Å²	165	70.4 Å²	70.4	77%	0.771	35%	0.349	S	S	*	.	H	α-helix	trans	-62.6	-37	-178.3	-59.7	-172.6	165.5	0	0	113.6	R997 I1001 D1002 Y1003	R997-E999 VanDerWaalsContact C-N 3.29Å; R997-E999 PolarHBondContact O-N 3.42Å; R997-E999 VanDerWaalsContact O-N 3.16Å; E999-I1001 VanDerWaalsContact C-N 3.29Å; E999-I1001 PolarHBondContact O-N 3.24Å; E999-D1002 PolarHBondContact O-N 3.28Å; E999-Y1003 WeakPolarHBondContact O-CB 3.34Å; E999-Y1003 PolarHBondContact O-N 3.42Å
1000	S	71.8	Confident	75.6	Confident	44 Å²	44	70.7 Å²	70.7	31%	0.308	35%	0.35	S	S	.	.	H	α-helix	trans	-67.9	-31.5	-178.7	70	0	0	0	0	112.2	R997 S998 I1004	R997-S1000 WeakPolarHBondContact CB-OG 3.46Å; R997-S1000 PolarHBondContact O-N 3.49Å; R997-S1000 PolarHBondContact O-OG 3.48Å; S998-S1000 PolarHBondContact O-N 3.39Å; S1000-I1004 WeakPolarHBondContact O-CD1 3.29Å; S1000-I1004 VanDerWaalsContact O-CG1 3.23Å; S1000-I1004 WeakPolarHBondContact O-CG1 3.5Å; S1000-I1004 PolarHBondContact O-N 2.87Å
1001	I	77.6	Confident	76.2	Confident	4 Å²	4	72 Å²	72	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-85.6	-32.4	-179.6	-76.5	166.4	0	0	0	111.6	L912 L920 F988 I995 S998 E999 Y1003 I1004 Q1005	L912-I1001 HydrophobicContact CD1-CD1 4.4Å; L912-I1001 HydrophobicContact CD2-CD1 4.16Å; L920-I1001 HydrophobicContact CD1-CD1 4.21Å; L920-I1001 HydrophobicContact CD2-CD1 4.34Å; F988-I1001 HydrophobicContact CD1-CG1 4.23Å; F988-I1001 HydrophobicContact CD1-CG2 4.43Å; I995-I1001 HydrophobicContact CD1-CD1 3.79Å; I995-I1001 HydrophobicContact CG2-CD1 3.72Å; S998-I1001 PolarHBondContact O-N 2.9Å; E999-I1001 VanDerWaalsContact C-N 3.29Å; E999-I1001 PolarHBondContact O-N 3.24Å; I1001-Y1003 VanDerWaalsContact C-N 3.31Å; I1001-I1004 PolarHBondContact O-N 3.08Å; I1001-Q1005 WeakPolarHBondContact O-CB 3.14Å; I1001-Q1005 WeakPolarHBondContact O-CG 3.48Å; I1001-Q1005 PolarHBondContact O-N 2.7Å
1002	D	78.5	Confident	77.4	Confident	91 Å²	91	67.1 Å²	67.1	49%	0.487	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-41.9	166.4	-171.6	73.6	0	0	0	111	S998 E999 Q1005 R1006	S998-D1002 PolarHBondContact O-N 3.48Å; S998-D1002 VanDerWaalsContact O-N 3.14Å; E999-D1002 PolarHBondContact O-N 3.28Å; D1002-Q1005 PolarHBondContact O-N 2.93Å; D1002-R1006 VanDerWaalsContact O-CB 3.3Å; D1002-R1006 WeakPolarHBondContact O-CB 3.49Å; D1002-R1006 PolarHBondContact O-N 2.69Å
1003	Y	81.1	Confident	78.7	Confident	99 Å²	99	67.5 Å²	67.5	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-61	-49	173.2	-176.3	-90.6	0	0	0	112.6	L440 E999 I1001 R1006 Q1007	L440-Y1003 HydrophobicContact CD2-CE1 3.92Å; L440-Y1003 VanDerWaalsContact CD2-OH 3.25Å; L440-Y1003 WeakPolarHBondContact CD2-OH 3.49Å; L440-Y1003 HydrophobicContact CG-CE1 4.39Å; E999-Y1003 WeakPolarHBondContact O-CB 3.34Å; E999-Y1003 PolarHBondContact O-N 3.42Å; I1001-Y1003 VanDerWaalsContact C-N 3.31Å; Y1003-R1006 WeakPolarHBondContact O-CB 3.42Å; Y1003-R1006 PolarHBondContact O-N 2.91Å; Y1003-R1006 VanDerWaalsContact O-N 3.17Å; Y1003-Q1007 HydrophobicContact CD1-CG 4.05Å; Y1003-Q1007 HydrophobicContact CE1-CG 3.57Å; Y1003-Q1007 HydrophobicContact CE2-CG 4.44Å; Y1003-Q1007 WeakPolarHBondContact O-CG 3.24Å; Y1003-Q1007 PolarHBondContact O-N 2.76Å; Y1003-Q1007 PolarHBondContact OH-NE2 2.93Å
1004	I	82.7	Confident	80.2	Confident	39 Å²	39	64.1 Å²	64.1	20%	0.2	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-47	177	-71.4	162.2	0	0	0	111.1	F988 S1000 I1001 R1006 Q1007 L1008	F988-I1004 HydrophobicContact CD1-CG2 4Å; F988-I1004 HydrophobicContact CD2-CG2 3.96Å; F988-I1004 HydrophobicContact CE1-CD1 4.29Å; F988-I1004 HydrophobicContact CE1-CG2 4.13Å; F988-I1004 HydrophobicContact CE2-CG2 4.12Å; F988-I1004 HydrophobicContact CG-CG2 3.92Å; F988-I1004 HydrophobicContact CZ-CG2 4.2Å; S1000-I1004 WeakPolarHBondContact O-CD1 3.29Å; S1000-I1004 VanDerWaalsContact O-CG1 3.23Å; S1000-I1004 WeakPolarHBondContact O-CG1 3.5Å; S1000-I1004 PolarHBondContact O-N 2.87Å; I1001-I1004 PolarHBondContact O-N 3.08Å; I1004-R1006 VanDerWaalsContact C-N 3.27Å; I1004-R1006 PolarHBondContact O-N 3.24Å; I1004-Q1007 PolarHBondContact O-N 3.14Å; I1004-L1008 HydrophobicContact CG2-CD1 3.8Å; I1004-L1008 HydrophobicContact CG2-CG 4.38Å; I1004-L1008 WeakPolarHBondContact O-CG 3.35Å; I1004-L1008 PolarHBondContact O-N 2.88Å
1005	Q	86.4	Confident	81.5	Confident	24 Å²	24	63.7 Å²	63.7	11%	0.112	31%	0.307	C	S	.	.	H	α-helix	trans	-57.7	-40.1	174.9	-77.4	-172.3	34.8	0	0	112	F988 I1001 D1002 R1009	F988-Q1005 HydrophobicContact CB-CG 4.12Å; F988-Q1005 PolarHBondContact O-NE2 3.25Å; I1001-Q1005 WeakPolarHBondContact O-CB 3.14Å; I1001-Q1005 WeakPolarHBondContact O-CG 3.48Å; I1001-Q1005 PolarHBondContact O-N 2.7Å; D1002-Q1005 PolarHBondContact O-N 2.93Å; Q1005-R1009 WeakPolarHBondContact O-CD 3.42Å; Q1005-R1009 WeakPolarHBondContact O-CG 3.43Å; Q1005-R1009 PolarHBondContact O-N 3.41Å; Q1005-R1009 VanDerWaalsContact O-N 3.15Å
1006	R	85.5	Confident	82.6	Confident	127 Å²	127	63.4 Å²	63.4	48%	0.479	31%	0.305	S	S	.	.	H	α-helix	trans	-66.6	-43.6	177.8	-179.2	173.2	174.9	153.2	-2.4	111.7	D1002 Y1003 I1004 R1009 L1010	D1002-R1006 VanDerWaalsContact O-CB 3.3Å; D1002-R1006 WeakPolarHBondContact O-CB 3.49Å; D1002-R1006 PolarHBondContact O-N 2.69Å; Y1003-R1006 WeakPolarHBondContact O-CB 3.42Å; Y1003-R1006 PolarHBondContact O-N 2.91Å; Y1003-R1006 VanDerWaalsContact O-N 3.17Å; I1004-R1006 VanDerWaalsContact C-N 3.27Å; I1004-R1006 PolarHBondContact O-N 3.24Å; R1006-R1009 PolarHBondContact O-N 3.06Å; R1006-L1010 HydrophobicContact CG-CD1 4.15Å; R1006-L1010 WeakPolarHBondContact O-CG 3.32Å; R1006-L1010 PolarHBondContact O-N 3.33Å
1007	Q	87.5	Confident	83.7	Confident	48 Å²	48	67.3 Å²	67.3	22%	0.224	31%	0.307	C	S	.	.	H	α-helix	trans	-65.3	-44.6	177.5	-66.2	-56.5	-12.1	0	0	112.1	Y1003 I1004 R1009 L1010 Q1011	Y1003-Q1007 HydrophobicContact CD1-CG 4.05Å; Y1003-Q1007 HydrophobicContact CE1-CG 3.57Å; Y1003-Q1007 HydrophobicContact CE2-CG 4.44Å; Y1003-Q1007 WeakPolarHBondContact O-CG 3.24Å; Y1003-Q1007 PolarHBondContact O-N 2.76Å; Y1003-Q1007 PolarHBondContact OH-NE2 2.93Å; I1004-Q1007 PolarHBondContact O-N 3.14Å; Q1007-R1009 VanDerWaalsContact C-N 3.29Å; Q1007-R1009 PolarHBondContact O-N 3.3Å; Q1007-L1010 WeakPolarHBondContact O-CB 3.47Å; Q1007-L1010 PolarHBondContact O-N 3.19Å; Q1007-Q1011 WeakPolarHBondContact O-CG 3.3Å; Q1007-Q1011 PolarHBondContact O-N 3.15Å
1008	L	89.8	Confident	84.7	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.016	31%	0.312	C	S	.	.	H	α-helix	trans	-59.7	-37.9	176.6	-68.9	166.4	0	0	0	112.6	L981 M984 I985 F988 I1004 L1012	L981-L1008 HydrophobicContact CD2-CD2 4.22Å; M984-L1008 HydrophobicContact CB-CD1 3.85Å; M984-L1008 HydrophobicContact CB-CD2 3.77Å; M984-L1008 HydrophobicContact CB-CG 4.44Å; M984-L1008 HydrophobicContact CE-CD2 4.16Å; M984-L1008 HydrophobicContact CG-CD2 4.34Å; I985-L1008 HydrophobicContact CD1-CB 4.42Å; I985-L1008 HydrophobicContact CG1-CB 3.77Å; F988-L1008 HydrophobicContact CD2-CD1 3.97Å; I1004-L1008 HydrophobicContact CG2-CD1 3.8Å; I1004-L1008 HydrophobicContact CG2-CG 4.38Å; I1004-L1008 WeakPolarHBondContact O-CG 3.35Å; I1004-L1008 PolarHBondContact O-N 2.88Å; L1008-L1012 WeakPolarHBondContact O-CB 3.31Å; L1008-L1012 PolarHBondContact O-N 3.2Å
1009	R	90.7	Very high	85.5	Confident	93 Å²	93	66.8 Å²	66.8	35%	0.351	31%	0.312	S	S	.	.	H	α-helix	trans	-69.9	-34.7	174.3	-69.6	168.3	-169.1	-89.8	4.9	112.7	I985 Q1005 R1006 Q1007 T1013	I985-R1009 HydrophobicContact CD1-CG 4.27Å; Q1005-R1009 WeakPolarHBondContact O-CD 3.42Å; Q1005-R1009 WeakPolarHBondContact O-CG 3.43Å; Q1005-R1009 PolarHBondContact O-N 3.41Å; Q1005-R1009 VanDerWaalsContact O-N 3.15Å; R1006-R1009 PolarHBondContact O-N 3.06Å; Q1007-R1009 VanDerWaalsContact C-N 3.29Å; Q1007-R1009 PolarHBondContact O-N 3.3Å; R1009-T1013 WeakPolarHBondContact O-CB 3.42Å; R1009-T1013 PolarHBondContact O-N 2.97Å; R1009-T1013 PolarHBondContact O-OG1 3.05Å
1010	L	89.3	Confident	86.1	Confident	51 Å²	51	62 Å²	62	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-69.2	-46.1	174.6	-73.2	169.3	0	0	0	111	R1006 Q1007 L1012 T1013 Q1014	R1006-L1010 HydrophobicContact CG-CD1 4.15Å; R1006-L1010 WeakPolarHBondContact O-CG 3.32Å; R1006-L1010 PolarHBondContact O-N 3.33Å; Q1007-L1010 WeakPolarHBondContact O-CB 3.47Å; Q1007-L1010 PolarHBondContact O-N 3.19Å; L1010-L1012 VanDerWaalsContact C-N 3.35Å; L1010-L1012 PolarHBondContact O-N 3.2Å; L1010-T1013 CarbonylContact O-C 3.09Å; L1010-T1013 PolarHBondContact O-N 3.1Å; L1010-T1013 VanDerWaalsContact O-N 3.11Å; L1010-Q1014 WeakPolarHBondContact O-CB 3.2Å; L1010-Q1014 WeakPolarHBondContact O-CG 3.31Å; L1010-Q1014 PolarHBondContact O-N 3.36Å
1011	Q	88.4	Confident	86.7	Confident	34 Å²	34	63.3 Å²	63.3	16%	0.159	30%	0.297	C	S	.	.	H	α-helix	trans	-56.6	-46.3	174.3	-74.7	177.4	-40.7	0	0	111.6	L981 Q1007 Q1014 Y1015	L981-Q1011 HydrophobicContact CD2-CB 4.11Å; Q1007-Q1011 WeakPolarHBondContact O-CG 3.3Å; Q1007-Q1011 PolarHBondContact O-N 3.15Å; Q1011-Q1014 PolarHBondContact O-N 2.64Å; Q1011-Y1015 WeakPolarHBondContact O-CB 3.02Å; Q1011-Y1015 PolarHBondContact O-N 3.49Å
1012	L	92.1	Very high	86.9	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.4	-50.6	173	-174.9	65.2	0	0	0	111	L981 L982 I985 L1008 L1010 Q1014 Y1015 E1016 L1030 L1031	L981-L1012 HydrophobicContact CB-CD1 4.17Å; L981-L1012 HydrophobicContact CD1-CB 4.18Å; L981-L1012 HydrophobicContact CD1-CD1 3.97Å; L982-L1012 HydrophobicContact CD2-CD2 4.42Å; I985-L1012 HydrophobicContact CD1-CD2 4.07Å; L1008-L1012 WeakPolarHBondContact O-CB 3.31Å; L1008-L1012 PolarHBondContact O-N 3.2Å; L1010-L1012 VanDerWaalsContact C-N 3.35Å; L1010-L1012 PolarHBondContact O-N 3.2Å; L1012-Q1014 VanDerWaalsContact C-N 3.26Å; L1012-Q1014 PolarHBondContact O-N 3.33Å; L1012-Y1015 WeakPolarHBondContact O-CB 3.37Å; L1012-Y1015 PolarHBondContact O-N 3.38Å; L1012-Y1015 VanDerWaalsContact O-N 3.13Å; L1012-E1016 HydrophobicContact CD1-CG 4.48Å; L1012-E1016 HydrophobicContact CG-CG 4.49Å; L1012-E1016 VanDerWaalsContact O-CG 3.27Å; L1012-E1016 WeakPolarHBondContact O-CG 3.5Å; L1012-E1016 PolarHBondContact O-N 3.02Å; L1012-L1030 HydrophobicContact CD1-CD1 4.31Å; L1012-L1031 HydrophobicContact CD2-CD2 4.06Å; L1012-L1031 HydrophobicContact CD2-CG 4.18Å
1013	T	91.1	Very high	87.2	Confident	73 Å²	73	69.5 Å²	69.5	45%	0.448	33%	0.33	S	S	.	.	H	α-helix	trans	-60.4	-34.1	180	-53.1	0	0	0	0	113.1	R1009 L1010 W1017	R1009-T1013 WeakPolarHBondContact O-CB 3.42Å; R1009-T1013 PolarHBondContact O-N 2.97Å; R1009-T1013 PolarHBondContact O-OG1 3.05Å; L1010-T1013 CarbonylContact O-C 3.09Å; L1010-T1013 PolarHBondContact O-N 3.1Å; L1010-T1013 VanDerWaalsContact O-N 3.11Å; T1013-W1017 WeakPolarHBondContact O-CB 3.29Å; T1013-W1017 PolarHBondContact O-N 3.3Å
1014	Q	87.9	Confident	87.3	Confident	103 Å²	103	72.3 Å²	72.3	48%	0.481	35%	0.35	S	S	.	.	H	α-helix	trans	-72	-42.9	175.2	-73.1	169.7	-45	0	0	111.8	L1010 Q1011 L1012 W1017 I1018	L1010-Q1014 WeakPolarHBondContact O-CB 3.2Å; L1010-Q1014 WeakPolarHBondContact O-CG 3.31Å; L1010-Q1014 PolarHBondContact O-N 3.36Å; Q1011-Q1014 PolarHBondContact O-N 2.64Å; L1012-Q1014 VanDerWaalsContact C-N 3.26Å; L1012-Q1014 PolarHBondContact O-N 3.33Å; Q1014-W1017 PolarHBondContact O-N 3.36Å; Q1014-I1018 WeakPolarHBondContact O-CG1 3.45Å; Q1014-I1018 PolarHBondContact O-N 3.43Å
1015	Y	90.2	Very high	87.5	Confident	54 Å²	54	72.9 Å²	72.9	21%	0.212	36%	0.357	C	S	.	.	H	α-helix	trans	-57.9	-53.8	176.8	-170.4	-99.6	0	0	0	111	D975 I977 E978 Q1011 L1012 W1017 I1018 T1019	D975-Y1015 WeakPolarHBondContact OD2-CE1 3.35Å; D975-Y1015 PolarHBondContact OD2-OH 3.35Å; I977-Y1015 HydrophobicContact CB-CE1 4.27Å; I977-Y1015 HydrophobicContact CB-CE2 3.99Å; I977-Y1015 HydrophobicContact CD1-CE2 3.68Å; I977-Y1015 HydrophobicContact CG1-CE2 4.43Å; I977-Y1015 HydrophobicContact CG2-CD1 4.45Å; I977-Y1015 HydrophobicContact CG2-CD2 3.83Å; I977-Y1015 HydrophobicContact CG2-CE1 4.32Å; I977-Y1015 HydrophobicContact CG2-CE2 3.68Å; I977-Y1015 HydrophobicContact CG2-CG 4.22Å; E978-Y1015 HydrophobicContact CG-CD1 3.92Å; E978-Y1015 HydrophobicContact CG-CE1 3.79Å; Q1011-Y1015 WeakPolarHBondContact O-CB 3.02Å; Q1011-Y1015 PolarHBondContact O-N 3.49Å; L1012-Y1015 WeakPolarHBondContact O-CB 3.37Å; L1012-Y1015 PolarHBondContact O-N 3.38Å; L1012-Y1015 VanDerWaalsContact O-N 3.13Å; Y1015-W1017 PolarHBondContact O-N 2.9Å; Y1015-I1018 PolarHBondContact O-N 2.99Å; Y1015-T1019 HydrophobicContact CD1-CG2 4.21Å; Y1015-T1019 HydrophobicContact CD2-CG2 4.24Å; Y1015-T1019 HydrophobicContact CE1-CG2 3.73Å; Y1015-T1019 HydrophobicContact CE2-CG2 3.77Å; Y1015-T1019 HydrophobicContact CG-CG2 4.44Å; Y1015-T1019 VanDerWaalsContact CZ-CG2 3.49Å; Y1015-T1019 PolarHBondContact O-N 2.86Å; Y1015-T1019 PolarHBondContact O-OG1 3.3Å; Y1015-T1019 VanDerWaalsContact O-OG1 3.05Å
1016	E	90.5	Very high	87.7	Confident	10 Å²	10	73 Å²	73	5%	0.047	36%	0.357	C	S	.	.	H	α-helix	trans	-54.8	-37.8	177.6	-63.6	-59.2	131.1	0	0	113.2	E978 L1012 I1018 H1020 R1026 C1027 L1030	E978-E1016 WeakPolarHBondContact CG-OE1 3.43Å; L1012-E1016 HydrophobicContact CD1-CG 4.48Å; L1012-E1016 HydrophobicContact CG-CG 4.49Å; L1012-E1016 VanDerWaalsContact O-CG 3.27Å; L1012-E1016 WeakPolarHBondContact O-CG 3.5Å; L1012-E1016 PolarHBondContact O-N 3.02Å; E1016-I1018 VanDerWaalsContact C-N 3.32Å; E1016-H1020 CarbonylContact O-C 3.53Å; E1016-H1020 VanDerWaalsContact O-CA 3.25Å; E1016-H1020 WeakPolarHBondContact O-CA 3.43Å; E1016-H1020 PolarHBondContact O-N 3.03Å; E1016-R1026 WeakPolarHBondContact OE2-CB 3.37Å; E1016-R1026 WeakPolarHBondContact OE2-CD 3.48Å; E1016-R1026 WeakPolarHBondContact OE2-CG 3.4Å; E1016-R1026 IonicContact OE2-NE 3.42Å; E1016-C1027 HydrophobicContact CB-CB 4.28Å; E1016-C1027 HydrophobicContact CG-CB 3.78Å; E1016-L1030 VanDerWaalsContact CD-CD1 3.48Å; E1016-L1030 HydrophobicContact CG-CD1 4.45Å; E1016-L1030 WeakPolarHBondContact OE1-CD1 3.35Å
1017	W	86	Confident	88	Confident	166 Å²	166	67.8 Å²	67.8	63%	0.629	34%	0.339	S	S	*	.	H	α-helix	trans	-71.9	-27.1	179.7	-174.7	73	0	0	0	112.7	T1013 Q1014 Y1015	T1013-W1017 WeakPolarHBondContact O-CB 3.29Å; T1013-W1017 PolarHBondContact O-N 3.3Å; Q1014-W1017 PolarHBondContact O-N 3.36Å; Y1015-W1017 PolarHBondContact O-N 2.9Å
1018	I	87.2	Confident	88.2	Confident	123 Å²	123	70.3 Å²	70.3	63%	0.631	35%	0.354	S	S	*	.	H	α-helix	trans	-87.4	-47.4	178.9	-65.4	166.6	0	0	0	111.1	Q1014 Y1015 E1016	Q1014-I1018 WeakPolarHBondContact O-CG1 3.45Å; Q1014-I1018 PolarHBondContact O-N 3.43Å; Y1015-I1018 PolarHBondContact O-N 2.99Å; E1016-I1018 VanDerWaalsContact C-N 3.32Å
1019	T	87.5	Confident	88.3	Confident	52 Å²	52	73.4 Å²	73.4	32%	0.319	37%	0.369	S	S	.	.	H	α-helix	trans	-84.4	-33.3	-175.9	57.6	0	0	0	0	113.2	Y1015 P1021	Y1015-T1019 HydrophobicContact CD1-CG2 4.21Å; Y1015-T1019 HydrophobicContact CD2-CG2 4.24Å; Y1015-T1019 HydrophobicContact CE1-CG2 3.73Å; Y1015-T1019 HydrophobicContact CE2-CG2 3.77Å; Y1015-T1019 HydrophobicContact CG-CG2 4.44Å; Y1015-T1019 VanDerWaalsContact CZ-CG2 3.49Å; Y1015-T1019 PolarHBondContact O-N 2.86Å; Y1015-T1019 PolarHBondContact O-OG1 3.3Å; Y1015-T1019 VanDerWaalsContact O-OG1 3.05Å; T1019-P1021 VanDerWaalsContact C-CD 3.42Å
1020	H	87	Confident	88.4	Confident	64 Å²	64	69 Å²	69	30%	0.296	35%	0.352	S	S	.	.			trans	-132	46.9	-170.9	-62.6	-41	0	0	0	113.8	E978 E1016 N1022 N1023 R1026	E978-H1020 IonicContact OE1-CD2 2.64Å; E978-H1020 PolarHBondContact OE1-CD2 2.97Å; E978-H1020 IonicContact OE1-NE2 2.72Å; E1016-H1020 CarbonylContact O-C 3.53Å; E1016-H1020 VanDerWaalsContact O-CA 3.25Å; E1016-H1020 WeakPolarHBondContact O-CA 3.43Å; E1016-H1020 PolarHBondContact O-N 3.03Å; H1020-N1022 PolarHBondContact O-N 2.84Å; H1020-N1023 PolarHBondContact O-N 3.04Å; H1020-R1026 WeakPolarHBondContact CD2-CD 3.48Å; H1020-R1026 PolarHBondContact CD2-NE 3.25Å
1021	P	84.1	Confident	88.6	Confident	72 Å²	72	68.7 Å²	68.7	47%	0.468	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.3	-177.4	23.2	-34.6	0	0	0	113.7	T1019 N1023	T1019-P1021 VanDerWaalsContact C-CD 3.42Å; P1021-N1023 VanDerWaalsContact C-N 3.29Å; P1021-N1023 PolarHBondContact O-N 3.07Å
1022	N	82	Confident	88.8	Confident	168 Å²	168	71.6 Å²	71.6	90%	0.898	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-13	177.8	-65.9	-18.6	0	0	0	113.9	H1020	H1020-N1022 PolarHBondContact O-N 2.84Å
1023	N	83.7	Confident	88.7	Confident	57 Å²	57	71.6 Å²	71.6	31%	0.305	37%	0.367	S	S	.	.			trans	-118.7	72.8	179	-170.6	-2.7	0	0	0	111.7	H1020 P1021 S1025 R1026	H1020-N1023 PolarHBondContact O-N 3.04Å; P1021-N1023 VanDerWaalsContact C-N 3.29Å; P1021-N1023 PolarHBondContact O-N 3.07Å; N1023-S1025 PolarHBondContact O-N 2.82Å; N1023-S1025 PolarHBondContact OD1-N 3.34Å; N1023-S1025 PolarHBondContact OD1-OG 3.01Å; N1023-R1026 HydrophobicContact CB-CB 4.17Å; N1023-R1026 WeakPolarHBondContact O-CB 3.32Å; N1023-R1026 PolarHBondContact O-N 3.44Å; N1023-R1026 PolarHBondContact OD1-N 3.33Å
1024	I	83.1	Confident	88.8	Confident	157 Å²	157	68.3 Å²	68.3	81%	0.805	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-23.1	174	-54.1	170.2	0	0	0	112.7
1025	S	87.6	Confident	88.8	Confident	51 Å²	51	64.9 Å²	64.9	36%	0.357	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-16.8	179.9	78	0	0	0	0	115.1	N1023 C1027 N1028 Q1029	N1023-S1025 PolarHBondContact O-N 2.82Å; N1023-S1025 PolarHBondContact OD1-N 3.34Å; N1023-S1025 PolarHBondContact OD1-OG 3.01Å; S1025-C1027 PolarHBondContact O-N 2.76Å; S1025-N1028 WeakPolarHBondContact O-CA 3.27Å; S1025-N1028 WeakPolarHBondContact O-CB 3.14Å; S1025-N1028 PolarHBondContact O-N 3.46Å; S1025-Q1029 WeakPolarHBondContact O-CG 3.49Å; S1025-Q1029 PolarHBondContact O-N 2.68Å; S1025-Q1029 PolarHBondContact OG-NE2 3.47Å; S1025-Q1029 VanDerWaalsContact OG-NE2 3.08Å
1026	R	91.4	Very high	88.7	Confident	28 Å²	28	63.5 Å²	63.5	11%	0.106	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-44.3	-167.9	-167.2	175.8	168.9	86.5	-4.7	113.9	I972 Q973 E978 E1016 H1020 N1023 N1028 Q1029 L1030	I972-R1026 PolarHBondContact O-NH1 2.94Å; Q973-R1026 PolarHBondContact O-NH2 3.36Å; E978-R1026 IonicContact OE1-CZ 2.77Å; E978-R1026 VanDerWaalsContact OE1-CZ 3.24Å; E978-R1026 IonicContact OE1-NE 3.71Å; E978-R1026 PolarHBondContact OE1-NE 3.18Å; E978-R1026 IonicContact OE1-NH2 2.99Å; E978-R1026 PolarHBondContact OE1-NH2 3.43Å; E978-R1026 IonicContact OE2-CZ 3.43Å; E978-R1026 IonicContact OE2-NE 3.61Å; E978-R1026 IonicContact OE2-NH2 2.66Å; E978-R1026 PolarHBondContact OE2-NH2 3.12Å; E1016-R1026 WeakPolarHBondContact OE2-CB 3.37Å; E1016-R1026 WeakPolarHBondContact OE2-CD 3.48Å; E1016-R1026 WeakPolarHBondContact OE2-CG 3.4Å; E1016-R1026 IonicContact OE2-NE 3.42Å; H1020-R1026 WeakPolarHBondContact CD2-CD 3.48Å; H1020-R1026 PolarHBondContact CD2-NE 3.25Å; N1023-R1026 HydrophobicContact CB-CB 4.17Å; N1023-R1026 WeakPolarHBondContact O-CB 3.32Å; N1023-R1026 PolarHBondContact O-N 3.44Å; N1023-R1026 PolarHBondContact OD1-N 3.33Å; R1026-N1028 PolarHBondContact O-N 3.08Å; R1026-Q1029 WeakPolarHBondContact O-CA 3.48Å; R1026-Q1029 WeakPolarHBondContact O-CB 3.33Å; R1026-Q1029 PolarHBondContact O-N 2.96Å; R1026-L1030 HydrophobicContact CG-CD1 4Å; R1026-L1030 HydrophobicContact CG-CG 4.45Å; R1026-L1030 WeakPolarHBondContact O-CG 3.02Å; R1026-L1030 PolarHBondContact O-N 3.06Å
1027	C	91.1	Very high	88.5	Confident	16 Å²	16	63.1 Å²	63.1	11%	0.108	33%	0.332	C	S	.	.	H	α-helix	trans	-51.1	-41.9	170.6	-168.5	0	0	0	0	112.5	E1016 S1025 L1031	E1016-C1027 HydrophobicContact CB-CB 4.28Å; E1016-C1027 HydrophobicContact CG-CB 3.78Å; S1025-C1027 PolarHBondContact O-N 2.76Å; C1027-L1031 WeakPolarHBondContact O-CB 3.44Å; C1027-L1031 VanDerWaalsContact O-CG 3.28Å; C1027-L1031 WeakPolarHBondContact O-CG 3.43Å; C1027-L1031 PolarHBondContact O-N 3.34Å
1028	N	91.2	Very high	88.5	Confident	101 Å²	101	59 Å²	59	54%	0.54	32%	0.32	S	S	.	.	H	α-helix	trans	-72.2	-35.9	178.3	-64.2	-76.3	0	0	0	112	S1025 R1026 L1032	S1025-N1028 WeakPolarHBondContact O-CA 3.27Å; S1025-N1028 WeakPolarHBondContact O-CB 3.14Å; S1025-N1028 PolarHBondContact O-N 3.46Å; R1026-N1028 PolarHBondContact O-N 3.08Å; N1028-L1032 VanDerWaalsContact O-CB 3.29Å; N1028-L1032 WeakPolarHBondContact O-CB 3.47Å; N1028-L1032 WeakPolarHBondContact O-CG 3.24Å; N1028-L1032 PolarHBondContact O-N 2.81Å
1029	Q	92.8	Very high	88.2	Confident	68 Å²	68	60.2 Å²	60.2	32%	0.318	32%	0.321	S	S	.	.	H	α-helix	trans	-64	-46.8	174.8	-64.9	170.5	-12.7	0	0	111.2	I972 S1025 R1026 L1031 L1032 L1033	I972-Q1029 HydrophobicContact CD1-CB 4.02Å; I972-Q1029 WeakPolarHBondContact CD1-O 3.48Å; I972-Q1029 HydrophobicContact CG1-CB 4.04Å; S1025-Q1029 WeakPolarHBondContact O-CG 3.49Å; S1025-Q1029 PolarHBondContact O-N 2.68Å; S1025-Q1029 PolarHBondContact OG-NE2 3.47Å; S1025-Q1029 VanDerWaalsContact OG-NE2 3.08Å; R1026-Q1029 WeakPolarHBondContact O-CA 3.48Å; R1026-Q1029 WeakPolarHBondContact O-CB 3.33Å; R1026-Q1029 PolarHBondContact O-N 2.96Å; Q1029-L1031 PolarHBondContact O-N 3.02Å; Q1029-L1032 WeakPolarHBondContact O-CB 3.39Å; Q1029-L1032 PolarHBondContact O-N 3.01Å; Q1029-L1032 VanDerWaalsContact O-N 3.15Å; Q1029-L1033 PolarHBondContact O-N 3.01Å
1030	L	93.4	Very high	87.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-43.1	176.5	-69.7	162.8	0	0	0	111.8	I972 P974 E978 L982 L1012 E1016 R1026 L1032 L1033 N1034	I972-L1030 HydrophobicContact CG2-CD2 3.54Å; I972-L1030 HydrophobicContact CG2-CG 4.04Å; P974-L1030 HydrophobicContact CB-CD2 3.86Å; E978-L1030 HydrophobicContact CB-CD1 4.31Å; E978-L1030 HydrophobicContact CB-CD2 4.26Å; E978-L1030 HydrophobicContact CG-CD1 4.08Å; L982-L1030 HydrophobicContact CD1-CB 4.22Å; L982-L1030 HydrophobicContact CD1-CD2 3.77Å; L982-L1030 HydrophobicContact CD2-CB 4.16Å; L982-L1030 VanDerWaalsContact CD2-O 3.27Å; L982-L1030 WeakPolarHBondContact CD2-O 3.41Å; L1012-L1030 HydrophobicContact CD1-CD1 4.31Å; E1016-L1030 VanDerWaalsContact CD-CD1 3.48Å; E1016-L1030 HydrophobicContact CG-CD1 4.45Å; E1016-L1030 WeakPolarHBondContact OE1-CD1 3.35Å; R1026-L1030 HydrophobicContact CG-CD1 4Å; R1026-L1030 HydrophobicContact CG-CG 4.45Å; R1026-L1030 WeakPolarHBondContact O-CG 3.02Å; R1026-L1030 PolarHBondContact O-N 3.06Å; L1030-L1032 VanDerWaalsContact C-N 3.34Å; L1030-L1033 PolarHBondContact O-N 3.12Å; L1030-N1034 PolarHBondContact O-N 2.72Å
1031	L	93	Very high	86	Confident	45 Å²	45	59.9 Å²	59.9	24%	0.236	32%	0.319	C	S	.	.	H	α-helix	trans	-69.7	-28.6	174.4	-69.7	173.9	0	0	0	113.3	I985 L1012 C1027 Q1029 A1035	I985-L1031 HydrophobicContact CD1-CD2 4.28Å; L1012-L1031 HydrophobicContact CD2-CD2 4.06Å; L1012-L1031 HydrophobicContact CD2-CG 4.18Å; C1027-L1031 WeakPolarHBondContact O-CB 3.44Å; C1027-L1031 VanDerWaalsContact O-CG 3.28Å; C1027-L1031 WeakPolarHBondContact O-CG 3.43Å; C1027-L1031 PolarHBondContact O-N 3.34Å; Q1029-L1031 PolarHBondContact O-N 3.02Å; L1031-A1035 PolarHBondContact O-N 2.98Å; L1031-A1035 VanDerWaalsContact O-N 3.12Å
1032	L	91.5	Very high	84.8	Confident	96 Å²	96	61.2 Å²	61.2	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-70.7	-42.1	173.2	-80.3	167.8	0	0	0	111.8	N1028 Q1029 L1030 N1034 A1035 S1036	N1028-L1032 VanDerWaalsContact O-CB 3.29Å; N1028-L1032 WeakPolarHBondContact O-CB 3.47Å; N1028-L1032 WeakPolarHBondContact O-CG 3.24Å; N1028-L1032 PolarHBondContact O-N 2.81Å; Q1029-L1032 WeakPolarHBondContact O-CB 3.39Å; Q1029-L1032 PolarHBondContact O-N 3.01Å; Q1029-L1032 VanDerWaalsContact O-N 3.15Å; L1030-L1032 VanDerWaalsContact C-N 3.34Å; L1032-N1034 VanDerWaalsContact C-N 3.3Å; L1032-N1034 PolarHBondContact O-N 2.96Å; L1032-A1035 CarbonylContact O-C 3.57Å; L1032-A1035 WeakPolarHBondContact O-CA 3.46Å; L1032-A1035 WeakPolarHBondContact O-CB 3.37Å; L1032-A1035 PolarHBondContact O-N 3.38Å; L1032-S1036 PolarHBondContact O-N 3.21Å; L1032-S1036 PolarHBondContact O-OG 2.92Å
1033	L	91.3	Very high	83.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-54.7	-45.9	171.3	172.9	67.7	0	0	0	111.2	L965 E968 Y969 I972 L982 Q1029 L1030 A1035 S1036 I1037	L965-L1033 HydrophobicContact CD1-CD1 4.05Å; E968-L1033 HydrophobicContact CG-CD1 4.18Å; Y969-L1033 HydrophobicContact CD2-CD2 3.94Å; I972-L1033 HydrophobicContact CD1-CB 3.9Å; I972-L1033 HydrophobicContact CD1-CD2 4.41Å; L982-L1033 HydrophobicContact CD1-CD2 4.2Å; Q1029-L1033 PolarHBondContact O-N 3.01Å; L1030-L1033 PolarHBondContact O-N 3.12Å; L1033-A1035 VanDerWaalsContact C-N 3.27Å; L1033-A1035 PolarHBondContact O-N 3.27Å; L1033-S1036 WeakPolarHBondContact O-CB 3.16Å; L1033-S1036 PolarHBondContact O-N 2.87Å; L1033-S1036 VanDerWaalsContact O-N 3.14Å; L1033-I1037 HydrophobicContact CD1-CD1 4.39Å; L1033-I1037 HydrophobicContact CG-CD1 4.3Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.47Å; L1033-I1037 PolarHBondContact O-N 3.19Å
1034	N	91.5	Very high	81.4	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-33.4	173.6	-101.4	8.9	0	0	0	112.9	L982 L986 L1030 L1032 Q1038	L982-N1034 HydrophobicContact CD2-CB 4.21Å; L982-N1034 VanDerWaalsContact CD2-ND2 3.34Å; L982-N1034 WeakPolarHBondContact CD2-ND2 3.41Å; L982-N1034 PolarHBondContact O-ND2 3.19Å; L982-N1034 VanDerWaalsContact O-ND2 3.15Å; L986-N1034 WeakPolarHBondContact CD1-OD1 3.43Å; L986-N1034 HydrophobicContact CD2-CB 4.1Å; L986-N1034 VanDerWaalsContact CG-OD1 3.31Å; L986-N1034 WeakPolarHBondContact CG-OD1 3.34Å; L1030-N1034 PolarHBondContact O-N 2.72Å; L1032-N1034 VanDerWaalsContact C-N 3.3Å; L1032-N1034 PolarHBondContact O-N 2.96Å; N1034-Q1038 VanDerWaalsContact O-CG 3.24Å; N1034-Q1038 WeakPolarHBondContact O-CG 3.5Å; N1034-Q1038 PolarHBondContact O-N 3.1Å; N1034-Q1038 VanDerWaalsContact O-N 3.16Å; N1034-Q1038 PolarHBondContact O-NE2 3.41Å
1035	A	89.8	Confident	79.7	Confident	31 Å²	31	48.4 Å²	48.4	26%	0.256	25%	0.252	S	S	.	.	H	α-helix	trans	-76	-30.6	173.8	0	0	0	0	0	112.9	L1031 L1032 L1033 K1039	L1031-A1035 PolarHBondContact O-N 2.98Å; L1031-A1035 VanDerWaalsContact O-N 3.12Å; L1032-A1035 CarbonylContact O-C 3.57Å; L1032-A1035 WeakPolarHBondContact O-CA 3.46Å; L1032-A1035 WeakPolarHBondContact O-CB 3.37Å; L1032-A1035 PolarHBondContact O-N 3.38Å; L1033-A1035 VanDerWaalsContact C-N 3.27Å; L1033-A1035 PolarHBondContact O-N 3.27Å; A1035-K1039 WeakPolarHBondContact O-CD 3.13Å; A1035-K1039 WeakPolarHBondContact O-CG 3.37Å; A1035-K1039 PolarHBondContact O-N 3.19Å; A1035-K1039 VanDerWaalsContact O-N 3.13Å
1036	S	87.4	Confident	77.7	Confident	25 Å²	25	51.9 Å²	51.9	18%	0.175	26%	0.26	C	S	.	.	H	α-helix	trans	-66.1	-46.7	171.7	-65	0	0	0	0	110.6	E968 L1032 L1033 Q1038 K1039 L1040	E968-S1036 PolarHBondContact OE1-OG 3.24Å; E968-S1036 WeakPolarHBondContact OE2-CB 3.29Å; E968-S1036 PolarHBondContact OE2-OG 3.42Å; L1032-S1036 PolarHBondContact O-N 3.21Å; L1032-S1036 PolarHBondContact O-OG 2.92Å; L1033-S1036 WeakPolarHBondContact O-CB 3.16Å; L1033-S1036 PolarHBondContact O-N 2.87Å; L1033-S1036 VanDerWaalsContact O-N 3.14Å; S1036-Q1038 VanDerWaalsContact C-N 3.31Å; S1036-Q1038 PolarHBondContact O-N 3.11Å; S1036-K1039 WeakPolarHBondContact O-CB 3.36Å; S1036-K1039 PolarHBondContact O-N 3.33Å; S1036-L1040 PolarHBondContact O-N 2.86Å
1037	I	86.9	Confident	75.2	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.015	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-42.4	174.1	-66.5	168.2	0	0	0	111.3	N927 M930 L931 L934 L965 L986 L1033 K1039 L1040	N927-I1037 HydrophobicContact CB-CG2 3.94Å; M930-I1037 HydrophobicContact CB-CG2 4.09Å; M930-I1037 HydrophobicContact CG-CG2 4.37Å; L931-I1037 HydrophobicContact CD2-CD1 3.38Å; L931-I1037 HydrophobicContact CG-CD1 3.83Å; L934-I1037 HydrophobicContact CD1-CD1 4.29Å; L965-I1037 HydrophobicContact CD1-CG1 4.09Å; L965-I1037 HydrophobicContact CD2-CG1 4.21Å; L986-I1037 HydrophobicContact CD1-CD1 4.46Å; L986-I1037 HydrophobicContact CD1-CG2 4.22Å; L1033-I1037 HydrophobicContact CD1-CD1 4.39Å; L1033-I1037 HydrophobicContact CG-CD1 4.3Å; L1033-I1037 WeakPolarHBondContact O-CG1 3.47Å; L1033-I1037 PolarHBondContact O-N 3.19Å; I1037-K1039 VanDerWaalsContact C-N 3.29Å; I1037-K1039 PolarHBondContact O-N 3.29Å; I1037-L1040 WeakPolarHBondContact O-CB 3.43Å; I1037-L1040 PolarHBondContact O-N 3.08Å
1038	Q	85.3	Confident	72.6	Confident	79 Å²	79	54.5 Å²	54.5	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-69.9	-19.5	176.8	-73.8	173.1	53.7	0	0	114.6	L986 N989 N1034 S1036	L986-Q1038 HydrophobicContact CD2-CG 3.97Å; N989-Q1038 PolarHBondContact ND2-OE1 3.42Å; N1034-Q1038 VanDerWaalsContact O-CG 3.24Å; N1034-Q1038 WeakPolarHBondContact O-CG 3.5Å; N1034-Q1038 PolarHBondContact O-N 3.1Å; N1034-Q1038 VanDerWaalsContact O-N 3.16Å; N1034-Q1038 PolarHBondContact O-NE2 3.41Å; S1036-Q1038 VanDerWaalsContact C-N 3.31Å; S1036-Q1038 PolarHBondContact O-N 3.11Å
1039	K	80.8	Confident	70.2	Confident	148 Å²	148	50.1 Å²	50.1	64%	0.643	25%	0.252	S	S	*	.	H	α-helix	trans	-88.4	-14.6	175	-71.6	162.8	-164	160.9	0	113.3	A1035 S1036 I1037 D1041	A1035-K1039 WeakPolarHBondContact O-CD 3.13Å; A1035-K1039 WeakPolarHBondContact O-CG 3.37Å; A1035-K1039 PolarHBondContact O-N 3.19Å; A1035-K1039 VanDerWaalsContact O-N 3.13Å; S1036-K1039 WeakPolarHBondContact O-CB 3.36Å; S1036-K1039 PolarHBondContact O-N 3.33Å; I1037-K1039 VanDerWaalsContact C-N 3.29Å; I1037-K1039 PolarHBondContact O-N 3.29Å; K1039-D1041 PolarHBondContact O-N 2.74Å; K1039-D1041 VanDerWaalsContact O-N 3.08Å
1040	L	73.3	Confident	67.6	Low	20 Å²	20	50.1 Å²	50.1	11%	0.105	25%	0.251	C	S	.	.	S	Bend	trans	-57.7	117.3	172.9	-61.7	171	0	0	0	107.3	M930 P962 L965 S1036 I1037 K1042 F1045	M930-L1040 HydrophobicContact CG-CD1 4.13Å; P962-L1040 HydrophobicContact CG-CD2 3.79Å; L965-L1040 HydrophobicContact CD2-CD1 3.84Å; S1036-L1040 PolarHBondContact O-N 2.86Å; I1037-L1040 WeakPolarHBondContact O-CB 3.43Å; I1037-L1040 PolarHBondContact O-N 3.08Å; L1040-K1042 PolarHBondContact O-N 3.32Å; L1040-F1045 HydrophobicContact CB-CE2 3.87Å; L1040-F1045 HydrophobicContact CD1-CE2 3.83Å; L1040-F1045 HydrophobicContact CD1-CZ 3.85Å; L1040-F1045 HydrophobicContact CG-CE2 4.44Å
1041	D	54.8	Low	64.7	Low	90 Å²	90	53.3 Å²	53.3	48%	0.481	27%	0.267	S	S	.	.			trans	-63.5	134.7	178.4	-168.5	-2.8	0	0	0	108.5	K1039 T1043 I1044	K1039-D1041 PolarHBondContact O-N 2.74Å; K1039-D1041 VanDerWaalsContact O-N 3.08Å; D1041-T1043 VanDerWaalsContact CB-OG1 3.31Å; D1041-T1043 WeakPolarHBondContact CB-OG1 3.14Å; D1041-T1043 PolarHBondContact O-N 2.87Å; D1041-T1043 PolarHBondContact OD1-N 2.69Å; D1041-T1043 PolarHBondContact OD1-OG1 3.02Å; D1041-T1043 WeakPolarHBondContact OD2-CG2 3.13Å; D1041-T1043 PolarHBondContact OD2-OG1 2.96Å; D1041-I1044 HydrophobicContact CB-CD1 4.41Å; D1041-I1044 HydrophobicContact CB-CG1 4.33Å; D1041-I1044 WeakPolarHBondContact O-CB 3.43Å; D1041-I1044 PolarHBondContact O-N 3.42Å
1042	K	58.9	Low	61.8	Low	100 Å²	100	57 Å²	57	44%	0.435	28%	0.284	S	S	.	.	H	α-helix	trans	-68.8	-13.7	179.4	-64.2	-175.4	174.9	-174.1	0	111	R923 L1040 K1046	R923-K1042 PolarHBondContact O-NZ 3.17Å; L1040-K1042 PolarHBondContact O-N 3.32Å; K1042-K1046 WeakPolarHBondContact O-CG 3.43Å; K1042-K1046 PolarHBondContact O-N 3.49Å
1043	T	46.2	Very low	58.8	Low	54 Å²	54	59 Å²	59	33%	0.331	29%	0.294	S	S	.	.	H	α-helix	trans	-58.1	-52.2	162.2	57.2	0	0	0	0	111.6	D1041 F1045 K1046 D1047	D1041-T1043 VanDerWaalsContact CB-OG1 3.31Å; D1041-T1043 WeakPolarHBondContact CB-OG1 3.14Å; D1041-T1043 PolarHBondContact O-N 2.87Å; D1041-T1043 PolarHBondContact OD1-N 2.69Å; D1041-T1043 PolarHBondContact OD1-OG1 3.02Å; D1041-T1043 WeakPolarHBondContact OD2-CG2 3.13Å; D1041-T1043 PolarHBondContact OD2-OG1 2.96Å; T1043-F1045 CarbonylContact O-C 3.41Å; T1043-F1045 PolarHBondContact O-N 2.96Å; T1043-K1046 CarbonylContact O-C 3.57Å; T1043-K1046 VanDerWaalsContact O-CA 3.31Å; T1043-K1046 WeakPolarHBondContact O-CA 3.25Å; T1043-K1046 WeakPolarHBondContact O-CB 3.34Å; T1043-K1046 PolarHBondContact O-N 3.23Å; T1043-D1047 PolarHBondContact O-N 3.25Å
1044	I	47.8	Very low	55.8	Low	47 Å²	47	62.7 Å²	62.7	24%	0.241	31%	0.314	C	S	.	.	H	α-helix	trans	-47.7	-40.2	179.6	-58.8	170.9	0	0	0	111.1	D1041 N1048	D1041-I1044 HydrophobicContact CB-CD1 4.41Å; D1041-I1044 HydrophobicContact CB-CG1 4.33Å; D1041-I1044 WeakPolarHBondContact O-CB 3.43Å; D1041-I1044 PolarHBondContact O-N 3.42Å; I1044-N1048 VanDerWaalsContact O-CB 3.23Å; I1044-N1048 WeakPolarHBondContact O-CB 3.04Å; I1044-N1048 PolarHBondContact O-N 3.02Å; I1044-N1048 VanDerWaalsContact O-N 3.14Å; I1044-N1048 PolarHBondContact O-ND2 3.38Å
1045	F	48.1	Very low	52.7	Low	11 Å²	11	69 Å²	69	5%	0.048	36%	0.357	C	S	.	.	H	α-helix	trans	-81.4	-30.8	175.9	-64	-55.6	0	0	0	115.3	M926 M930 W959 L961 L1040 T1043 I1049	M926-F1045 HydrophobicContact CE-CB 3.32Å; M926-F1045 HydrophobicContact CE-CD1 4.31Å; M926-F1045 HydrophobicContact CE-CD2 3.89Å; M926-F1045 HydrophobicContact CE-CG 3.56Å; M930-F1045 HydrophobicContact CE-CD1 4.18Å; M930-F1045 HydrophobicContact CE-CE1 3.38Å; M930-F1045 HydrophobicContact CE-CE2 4Å; M930-F1045 HydrophobicContact CE-CZ 3.27Å; M930-F1045 HydrophobicContact SD-CE1 4.38Å; M930-F1045 HydrophobicContact SD-CZ 4.01Å; W959-F1045 AromaticContact CE3-CD1 3.73Å; W959-F1045 HydrophobicContact CE3-CD1 3.73Å; W959-F1045 AromaticContact CE3-CE1 3.72Å; W959-F1045 HydrophobicContact CE3-CE1 3.72Å; W959-F1045 AromaticContact CZ3-CD1 3.56Å; W959-F1045 HydrophobicContact CZ3-CD1 3.56Å; W959-F1045 AromaticContact CZ3-CE1 3.82Å; W959-F1045 HydrophobicContact CZ3-CE1 3.82Å; L961-F1045 HydrophobicContact CD1-CE1 3.69Å; L961-F1045 HydrophobicContact CD1-CZ 4.07Å; L961-F1045 HydrophobicContact CG-CE1 4.39Å; L961-F1045 HydrophobicContact CG-CZ 4.37Å; L1040-F1045 HydrophobicContact CB-CE2 3.87Å; L1040-F1045 HydrophobicContact CD1-CE2 3.83Å; L1040-F1045 HydrophobicContact CD1-CZ 3.85Å; L1040-F1045 HydrophobicContact CG-CE2 4.44Å; T1043-F1045 CarbonylContact O-C 3.41Å; T1043-F1045 PolarHBondContact O-N 2.96Å; F1045-I1049 HydrophobicContact CB-CD1 3.87Å; F1045-I1049 HydrophobicContact CD1-CD1 4.32Å; F1045-I1049 HydrophobicContact CG-CD1 4.49Å; F1045-I1049 WeakPolarHBondContact O-CB 3.31Å; F1045-I1049 VanDerWaalsContact O-CD1 3.26Å; F1045-I1049 WeakPolarHBondContact O-CD1 3.35Å; F1045-I1049 WeakPolarHBondContact O-CG1 3.4Å; F1045-I1049 PolarHBondContact O-N 2.8Å; F1045-I1049 VanDerWaalsContact O-N 3.13Å
1046	K	44.7	Very low	50.9	Low	125 Å²	125	70.9 Å²	70.9	54%	0.543	36%	0.363	S	S	.	.	H	α-helix	trans	-58.7	-60.7	164.1	-74	-176.3	170.4	-159.5	0	109.6	K1042 T1043 N1048 I1049 F1050	K1042-K1046 WeakPolarHBondContact O-CG 3.43Å; K1042-K1046 PolarHBondContact O-N 3.49Å; T1043-K1046 CarbonylContact O-C 3.57Å; T1043-K1046 VanDerWaalsContact O-CA 3.31Å; T1043-K1046 WeakPolarHBondContact O-CA 3.25Å; T1043-K1046 WeakPolarHBondContact O-CB 3.34Å; T1043-K1046 PolarHBondContact O-N 3.23Å; K1046-N1048 VanDerWaalsContact C-N 3.28Å; K1046-N1048 PolarHBondContact O-N 3.45Å; K1046-N1048 VanDerWaalsContact O-N 3.17Å; K1046-I1049 PolarHBondContact O-N 3.5Å; K1046-F1050 CarbonylContact O-C 3.49Å; K1046-F1050 VanDerWaalsContact O-CA 3.24Å; K1046-F1050 WeakPolarHBondContact O-CA 3.24Å; K1046-F1050 WeakPolarHBondContact O-CB 3.4Å; K1046-F1050 WeakPolarHBondContact O-CD2 3.32Å; K1046-F1050 PolarHBondContact O-N 3.43Å; K1046-F1050 VanDerWaalsContact O-O 3.11Å
1047	D	38.7	Very low	48.9	Very low	65 Å²	65	73.3 Å²	73.3	35%	0.348	37%	0.372	S	S	.	.	H	α-helix	trans	-66.4	-26.5	-166.8	-38.7	-16.5	0	0	0	112.9	T1043 I1051 E1052	T1043-D1047 PolarHBondContact O-N 3.25Å; D1047-I1051 WeakPolarHBondContact O-CA 3.46Å; D1047-E1052 PolarHBondContact O-N 3.28Å
1048	N	38	Very low	46.8	Very low	34 Å²	34	77.2 Å²	77.2	18%	0.182	39%	0.392	C	S	.	.	H	α-helix	trans	-91.6	-39.2	175.5	-78.9	-94.4	0	0	0	114.6	S960 I1044 K1046 I1051	S960-N1048 WeakPolarHBondContact CB-OD1 3.37Å; S960-N1048 PolarHBondContact N-OD1 3.13Å; S960-N1048 PolarHBondContact OG-ND2 3.28Å; S960-N1048 PolarHBondContact OG-OD1 3.49Å; I1044-N1048 VanDerWaalsContact O-CB 3.23Å; I1044-N1048 WeakPolarHBondContact O-CB 3.04Å; I1044-N1048 PolarHBondContact O-N 3.02Å; I1044-N1048 VanDerWaalsContact O-N 3.14Å; I1044-N1048 PolarHBondContact O-ND2 3.38Å; K1046-N1048 VanDerWaalsContact C-N 3.28Å; K1046-N1048 PolarHBondContact O-N 3.45Å; K1046-N1048 VanDerWaalsContact O-N 3.17Å; N1048-I1051 WeakPolarHBondContact O-CG1 3.48Å
1049	I	40.1	Very low	44.6	Very low	9 Å²	9	77.1 Å²	77.1	5%	0.046	39%	0.394	C	S	.	.	H	α-helix	trans	-78.4	-46.5	-179.8	-58.2	169.5	0	0	0	108.9	F888 M926 W959 F1045 K1046 I1051	F888-I1049 HydrophobicContact CE1-CG2 3.55Å; F888-I1049 HydrophobicContact CE2-CG2 4.11Å; F888-I1049 VanDerWaalsContact CE2-O 3.27Å; F888-I1049 WeakPolarHBondContact CE2-O 3.41Å; F888-I1049 HydrophobicContact CZ-CB 4.43Å; F888-I1049 HydrophobicContact CZ-CG2 3.24Å; F888-I1049 WeakPolarHBondContact CZ-O 3.48Å; M926-I1049 HydrophobicContact CE-CD1 3.92Å; W959-I1049 HydrophobicContact CE3-CD1 4.43Å; W959-I1049 HydrophobicContact CE3-CG1 4.29Å; W959-I1049 HydrophobicContact CH2-CD1 3.28Å; W959-I1049 HydrophobicContact CH2-CG1 3.61Å; W959-I1049 HydrophobicContact CZ2-CD1 4.05Å; W959-I1049 HydrophobicContact CZ2-CG1 3.91Å; W959-I1049 HydrophobicContact CZ3-CD1 3.52Å; W959-I1049 HydrophobicContact CZ3-CG1 3.82Å; F1045-I1049 HydrophobicContact CB-CD1 3.87Å; F1045-I1049 HydrophobicContact CD1-CD1 4.32Å; F1045-I1049 HydrophobicContact CG-CD1 4.49Å; F1045-I1049 WeakPolarHBondContact O-CB 3.31Å; F1045-I1049 VanDerWaalsContact O-CD1 3.26Å; F1045-I1049 WeakPolarHBondContact O-CD1 3.35Å; F1045-I1049 WeakPolarHBondContact O-CG1 3.4Å; F1045-I1049 PolarHBondContact O-N 2.8Å; F1045-I1049 VanDerWaalsContact O-N 3.13Å; K1046-I1049 PolarHBondContact O-N 3.5Å; I1049-I1051 PolarHBondContact O-N 3.43Å
1050	F	37.5	Very low	42.3	Very low	67 Å²	67	72.6 Å²	72.6	29%	0.294	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	76	173.4	-50.4	-111.9	0	0	0	107.6	I867 K1046 E1052	I867-F1050 HydrophobicContact CG2-CE1 3.37Å; I867-F1050 HydrophobicContact CG2-CZ 3.53Å; K1046-F1050 CarbonylContact O-C 3.49Å; K1046-F1050 VanDerWaalsContact O-CA 3.24Å; K1046-F1050 WeakPolarHBondContact O-CA 3.24Å; K1046-F1050 WeakPolarHBondContact O-CB 3.4Å; K1046-F1050 WeakPolarHBondContact O-CD2 3.32Å; K1046-F1050 PolarHBondContact O-N 3.43Å; K1046-F1050 VanDerWaalsContact O-O 3.11Å; F1050-E1052 PolarHBondContact O-N 3.16Å
1051	I	34.1	Very low	40.2	Very low	68 Å²	68	76.1 Å²	76.1	35%	0.349	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	101	-170	-61	176.9	0	0	0	111.8	I884 D1047 N1048 I1049 N1053	I884-I1051 HydrophobicContact CD1-CD1 4.08Å; I884-I1051 HydrophobicContact CG1-CD1 4.13Å; D1047-I1051 WeakPolarHBondContact O-CA 3.46Å; N1048-I1051 WeakPolarHBondContact O-CG1 3.48Å; I1049-I1051 PolarHBondContact O-N 3.43Å; I1051-N1053 HydrophobicContact CG2-CB 3.97Å; I1051-N1053 VanDerWaalsContact CG2-CG 3.48Å; I1051-N1053 WeakPolarHBondContact CG2-ND2 3.3Å; I1051-N1053 PolarHBondContact O-N 2.71Å
1052	E	30.8	Very low	39.2	Very low	123 Å²	123	75.1 Å²	75.1	58%	0.575	39%	0.39	S	S	*	.			trans	-76.2	64.1	169.3	-80.1	-155.8	160.5	0	0	109.4	D1047 F1050 I1054	D1047-E1052 PolarHBondContact O-N 3.28Å; F1050-E1052 PolarHBondContact O-N 3.16Å; E1052-I1054 HydrophobicContact CB-CD1 4.43Å; E1052-I1054 HydrophobicContact CB-CG1 4.1Å; E1052-I1054 PolarHBondContact O-N 2.71Å
1053	N	29.7	Very low	37.7	Very low	136 Å²	136	73.2 Å²	73.2	73%	0.727	39%	0.387	S	S	*	.			trans	-73	75.7	162.4	-88.4	-16.5	0	0	0	108.2	I1051 S1055	I1051-N1053 HydrophobicContact CG2-CB 3.97Å; I1051-N1053 VanDerWaalsContact CG2-CG 3.48Å; I1051-N1053 WeakPolarHBondContact CG2-ND2 3.3Å; I1051-N1053 PolarHBondContact O-N 2.71Å; N1053-S1055 VanDerWaalsContact C-N 3.28Å; N1053-S1055 PolarHBondContact O-N 3.3Å
1054	I	27.6	Very low	37	Very low	79 Å²	79	74.8 Å²	74.8	41%	0.405	39%	0.391	S	S	.	.			trans	-73.7	85.4	174.5	-47.9	174.8	0	0	0	108.5	F603 E1052	F603-I1054 HydrophobicContact CB-CG2 4.25Å; F603-I1054 HydrophobicContact CD1-CB 3.97Å; F603-I1054 HydrophobicContact CD1-CG2 3.43Å; F603-I1054 VanDerWaalsContact CD1-CG2 3.43Å; F603-I1054 WeakPolarHBondContact CD1-O 3.44Å; F603-I1054 HydrophobicContact CD2-CD1 4.49Å; F603-I1054 HydrophobicContact CD2-CG2 3.84Å; F603-I1054 HydrophobicContact CE1-CB 3.58Å; F603-I1054 HydrophobicContact CE1-CG2 3.6Å; F603-I1054 WeakPolarHBondContact CE1-O 3.49Å; F603-I1054 HydrophobicContact CE2-CB 4.22Å; F603-I1054 HydrophobicContact CE2-CD1 3.81Å; F603-I1054 HydrophobicContact CE2-CG2 3.97Å; F603-I1054 HydrophobicContact CG-CB 4.46Å; F603-I1054 HydrophobicContact CG-CG2 3.56Å; F603-I1054 HydrophobicContact CZ-CB 3.71Å; F603-I1054 HydrophobicContact CZ-CD1 3.89Å; F603-I1054 HydrophobicContact CZ-CG1 4.35Å; F603-I1054 HydrophobicContact CZ-CG2 3.86Å; E1052-I1054 HydrophobicContact CB-CD1 4.43Å; E1052-I1054 HydrophobicContact CB-CG1 4.1Å; E1052-I1054 PolarHBondContact O-N 2.71Å
1055	S	26.6	Very low	36	Very low	134 Å²	134	77.4 Å²	77.4	94%	0.937	41%	0.405	S	S	*	.			trans	-152	0	162.1	70	0	0	0	0	110.8	N607 N1053	N607-S1055 PolarHBondContact ND2-OXT 3.12Å; N1053-S1055 VanDerWaalsContact C-N 3.28Å; N1053-S1055 PolarHBondContact O-N 3.3Å

Retrieved 1,055 of 1,055 residues in 451.5 ms (Link to these results)

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