A0A3Q0KP42_SCHMA Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A3Q0KP42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 917 aa.

						>A0A3Q0KP42_SCHMA|A0A3Q0KP42
MNATKCEEDITSDHKISNITISQNNTNDNTRTICKPAIQTTKTTTTLPRKLNADNDDNNTNSFLSLYTRCIKNPNRRKKKQLDNNNNNNNNSNHNHQSHFCLNFCRNCSSNTPSSSSSSSSSSTATTEAGASVAVAATTGRKESNSFSLPFPLDNKSHDSLISYSSKITNNTNFTNDISSPGTKVTLTPNHTNNIIMSVSNCSNQFNSISVDPDKKDNHKIDAQNTSVHINKRQTADKFHSNTTEYQSKSNMTTTVMTSIPTTTTIEPINVHKKINPSLMIADNSAYFNDNHENLLEISKLPIYDSTKLCIKCQKNIQLVSKDYEHILLLTNNQGKHEKITVNNNSIINNNNNGNGYMEHTTEMIDDIKSKKIKEMESDIEEYVKHVQHIFDHINLTKDQFCQTDSKSNYIIDNKQLWDAFNTSYANQEKIFRPSHNDINIYHLDDDMNNGDVNDDNDEEIIEAHYDNVHSYRKCNHFSVDKMDKKRISKIYRQLHNLRCQVESFSYLSWLGLTAEQPPTQKVLVPGFNAPAPNPQMHLIRRSDADSRRNIQEFKLLCKEPVSKEDLIELRSSTFNNWSRTDAQLIRLVREMFQELGFIEHYNIQLHQLDLWLTDIYRRYNRVPFHNYKHAFMVTQMCYVLIWGGNLTNLLDIDDQLILIVSAICHDLDHPGFNNAYQINAGTVLAMRYNDQSPLENHHTAVAFDLLSHKEVDPFSHLSTTTRQRIRKGVIRCILATDMSRHNEILDEFNRQVLTDLNAAWEIDPNTKKPTWVMNKTQKDLVMVIILKISDISNEARPLNVAGPWINRLLAEFFHQSDYEKLVGLPVAPFMDRHKVTKSASQCGFIRFVILPLFESLAKLLPEVKPIIVQPALEQLAYYTDLHNNEEKKTNTENQKSNTNEHQNGNNNNHNEKEHSK
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	28.8	Very low	252 Å²	252	162.2 Å²	162.2	100%	1.241	87%	0.869	S	S	*	*				0	131.3	0	-79.9	176	167.9	0	0	108.1
2	N	25.6	Very low	29.2	Very low	167 Å²	167	158.3 Å²	158.3	89%	0.893	86%	0.863	S	S	*	*			trans	-86.2	146.4	-163.5	-97.7	-17.2	0	0	0	113.5
3	A	27.6	Very low	29.2	Very low	77 Å²	77	157.2 Å²	157.2	64%	0.636	86%	0.856	S	S	*	*				78.3	114.8	128.3	0	0	0	0	0	121.6
4	T	30.5	Very low	29.5	Very low	124 Å²	124	158.4 Å²	158.4	76%	0.761	85%	0.852	S	S	*	*				89.9	128.5	115.9	51	0	0	0	0	122.6
5	K	30.2	Very low	29.7	Very low	189 Å²	189	161 Å²	161	82%	0.822	85%	0.853	S	S	*	*			trans	78.5	117.6	140.6	-76.6	177.5	175.4	-172	0	118.1
6	C	29.8	Very low	29.5	Very low	131 Å²	131	160.3 Å²	160.3	89%	0.885	85%	0.848	S	S	*	*				-162.3	127.1	99	-82.3	0	0	0	0	109.7
7	E	24.8	Very low	29.7	Very low	189 Å²	189	157.5 Å²	157.5	88%	0.883	84%	0.844	S	S	*	*			trans	-77.7	143.9	154.3	-73.9	170	147.7	0	0	107.6
8	E	32.5	Very low	29.6	Very low	201 Å²	201	156.8 Å²	156.8	94%	0.939	84%	0.84	S	S	*	*			trans	-172.1	133.4	137.3	-105.5	170.5	-161.9	0	0	110.9
9	D	25.3	Very low	29.6	Very low	155 Å²	155	157.8 Å²	157.8	83%	0.829	84%	0.844	S	S	*	*			trans	-63.1	140.8	-177.6	-68.6	-55.5	0	0	0	114.3
10	I	32.2	Very low	29.6	Very low	169 Å²	169	156.6 Å²	156.6	87%	0.867	84%	0.842	S	S	*	*			trans	-142	114.4	146.3	-58.2	-176.9	0	0	0	109.7
11	T	25.7	Very low	29.4	Very low	130 Å²	130	156.3 Å²	156.3	80%	0.798	84%	0.839	S	S	*	*			trans	-82.6	141.3	165.8	43.1	0	0	0	0	110.4
12	S	33.2	Very low	29.4	Very low	115 Å²	115	150 Å²	150	80%	0.804	82%	0.82	S	S	*	*			trans	-173.8	142.7	141.9	43.7	0	0	0	0	112.5
13	D	29.7	Very low	29.5	Very low	144 Å²	144	149.8 Å²	149.8	77%	0.77	81%	0.813	S	S	*	*			trans	-62.7	155	-171.5	-60.6	-70.2	0	0	0	116.2
14	H	33.5	Very low	29.7	Very low	174 Å²	174	153 Å²	153	81%	0.806	82%	0.82	S	S	*	*				-170.6	106.8	119.2	-90.7	-31.2	0	0	0	114.9
15	K	32.4	Very low	29.9	Very low	198 Å²	198	153.3 Å²	153.3	86%	0.861	82%	0.817	S	S	*	*				54.4	133.1	128.8	-78.1	-179.2	176.1	176.3	0	123.5
16	I	25.6	Very low	30.1	Very low	150 Å²	150	149.8 Å²	149.8	77%	0.769	81%	0.811	S	S	*	*			trans	-90.6	155.2	-177.2	-64.5	159	0	0	0	112.5
17	S	32.9	Very low	30.3	Very low	113 Å²	113	149.9 Å²	149.9	79%	0.79	80%	0.803	S	S	*	*			trans	-157	97.6	144	56.1	0	0	0	0	110.2
18	N	27.7	Very low	30.7	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	79%	0.794	S	S	*	*				61.8	109.4	94.8	-79.8	-6.3	0	0	0	116.7
19	I	30.3	Very low	30.8	Very low	176 Å²	176	144.9 Å²	144.9	90%	0.903	79%	0.789	S	S	*	*			trans	-145.7	140.1	139.4	-60.8	-170.6	0	0	0	109.8
20	T	29.8	Very low	30.8	Very low	134 Å²	134	143.6 Å²	143.6	82%	0.822	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-85.3	150.3	-150.3	-37.5	0	0	0	0	116.3
21	I	25.5	Very low	30.7	Very low	151 Å²	151	147.6 Å²	147.6	77%	0.774	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-103.9	138.4	168	-63.8	171.4	0	0	0	109.2
22	S	32	Very low	30.7	Very low	119 Å²	119	147 Å²	147	83%	0.832	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-98.6	124.7	163.7	59.9	0	0	0	0	111.2
23	Q	27.5	Very low	30.6	Very low	162 Å²	162	149.1 Å²	149.1	76%	0.757	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-81	155.2	178	-65.7	176.9	-32.4	0	0	113.1
24	N	33.7	Very low	30.5	Very low	146 Å²	146	147.8 Å²	147.8	78%	0.781	79%	0.789	S	S	*	*			trans	-170.6	104.4	132.1	-89.1	-24	0	0	0	107.7
25	N	33.3	Very low	30.2	Very low	130 Å²	130	149 Å²	149	70%	0.695	79%	0.792	S	S	*	*				67.8	121.6	93.9	-78.2	-12	0	0	0	111.9
26	T	34.8	Very low	30.2	Very low	115 Å²	115	145.5 Å²	145.5	71%	0.706	79%	0.789	S	S	*	*			cis	-169	145.9	47.3	40.7	0	0	0	0	113.8
27	N	33.6	Very low	30.2	Very low	133 Å²	133	142.2 Å²	142.2	71%	0.711	78%	0.784	S	S	*	*			trans	58.4	142.8	135.6	-58.6	8.7	0	0	0	121
28	D	34.2	Very low	30	Very low	131 Å²	131	144 Å²	144	70%	0.701	78%	0.783	S	S	*	*			cis	-172.2	166.2	-3.1	-116	-34.1	0	0	0	109.5
29	N	33.2	Very low	30.1	Very low	153 Å²	153	145.8 Å²	145.8	82%	0.818	79%	0.787	S	S	*	*			trans	96	79.5	158.1	-60	-28.4	0	0	0	120.2
30	T	26.7	Very low	29.9	Very low	129 Å²	129	143.5 Å²	143.5	79%	0.791	78%	0.781	S	S	*	*			trans	-70.7	144.3	151.1	44.3	0	0	0	0	113.6
31	R	30.3	Very low	30	Very low	253 Å²	253	144 Å²	144	96%	0.955	79%	0.785	S	S	*	*			trans	-144.4	102.5	145.1	-125.2	-179.4	-172.9	175.2	3	110.9
32	T	25.2	Very low	30.1	Very low	118 Å²	118	146.3 Å²	146.3	72%	0.724	79%	0.789	S	S	*	*			trans	-83.6	151.7	164	-26.4	0	0	0	0	108.7
33	I	30.8	Very low	30	Very low	158 Å²	158	147.7 Å²	147.7	81%	0.81	79%	0.793	S	S	*	*			trans	-178	118.1	136.6	-87.8	150.1	0	0	0	110.7
34	C	28.6	Very low	29.9	Very low	116 Å²	116	146.2 Å²	146.2	78%	0.784	80%	0.795	S	S	*	*			trans	42.9	125.2	141.2	-54.1	0	0	0	0	124.6
35	K	26.3	Very low	29.8	Very low	200 Å²	200	146.1 Å²	146.1	87%	0.87	80%	0.8	S	S	*	*			trans	-66.7	159.4	146.7	-83.5	-176.5	177.8	179	0	110.7
36	P	31.5	Very low	29.6	Very low	125 Å²	125	146.5 Å²	146.5	81%	0.812	81%	0.807	S	S	*	*				-154.5	152	71.6	37.1	-13.9	0	0	0	120
37	A	26.8	Very low	29.3	Very low	80 Å²	80	148.5 Å²	148.5	66%	0.661	81%	0.812	S	S	*	*			trans	33.9	136.5	134.6	0	0	0	0	0	125.4
38	I	28.6	Very low	29.3	Very low	150 Å²	150	148.2 Å²	148.2	77%	0.769	82%	0.818	S	S	*	*			trans	80	133.5	147	-60.8	154.5	0	0	0	115
39	Q	29.9	Very low	28.8	Very low	182 Å²	182	152.6 Å²	152.6	85%	0.85	83%	0.825	S	S	*	*			cis	-159.6	162.4	28.4	-140.3	150.7	22.1	0	0	111
40	T	26.2	Very low	28.7	Very low	128 Å²	128	155.7 Å²	155.7	79%	0.785	83%	0.831	S	S	*	*			trans	-78.6	147.1	-179.2	45.4	0	0	0	0	116
41	T	30.5	Very low	28.7	Very low	145 Å²	145	156.1 Å²	156.1	89%	0.89	83%	0.827	S	S	*	*			trans	-147.1	129.1	145.3	45.5	0	0	0	0	111.7
42	K	27.8	Very low	28.6	Very low	199 Å²	199	151.1 Å²	151.1	87%	0.865	82%	0.82	S	S	*	*			trans	-81.1	145.8	173.9	-72.5	175.4	174.2	176	0	111.1
43	T	30.7	Very low	28.7	Very low	149 Å²	149	149.4 Å²	149.4	91%	0.914	82%	0.817	S	S	*	*			trans	-150.6	127.9	146.9	12.8	0	0	0	0	110.7
44	T	25.8	Very low	28.8	Very low	131 Å²	131	148.8 Å²	148.8	80%	0.804	82%	0.816	S	S	*	*			trans	-98.6	139.7	-178.8	-0.1	0	0	0	0	109.9
45	T	30.7	Very low	28.7	Very low	144 Å²	144	149.9 Å²	149.9	88%	0.883	81%	0.814	S	S	*	*			trans	-149.8	150.9	154.7	-1.1	0	0	0	0	111.8
46	T	30.4	Very low	28.9	Very low	137 Å²	137	147.5 Å²	147.5	84%	0.84	81%	0.811	S	S	*	*			trans	-99.1	153.9	-147.5	26.4	0	0	0	0	116.1
47	L	28.6	Very low	28.8	Very low	157 Å²	157	147.4 Å²	147.4	82%	0.822	80%	0.803	S	S	*	*			trans	-42.2	163.5	165.7	-87.4	149.9	0	0	0	117.1
48	P	31.8	Very low	28.8	Very low	127 Å²	127	148.4 Å²	148.4	83%	0.825	80%	0.797	S	S	*	*				-143.8	155.7	90.6	34	-14.8	0	0	0	118.1
49	R	25	Very low	28.9	Very low	224 Å²	224	148.9 Å²	148.9	85%	0.845	80%	0.801	S	S	*	*			trans	-42.5	149.9	169.1	-87.3	170.8	162.6	161.6	-5.5	116.3
50	K	31.2	Very low	28.8	Very low	218 Å²	218	146.7 Å²	146.7	95%	0.948	80%	0.801	S	S	*	*			trans	-147.1	147.3	133.7	-111.2	178.3	-177.5	-178.8	0	111.8
51	L	26.8	Very low	28.9	Very low	137 Å²	137	148.3 Å²	148.3	72%	0.717	81%	0.805	S	S	*	*			trans	-94.4	156.5	-164	-87.1	147.1	0	0	0	113.5
52	N	27.1	Very low	28.9	Very low	149 Å²	149	145.3 Å²	145.3	80%	0.797	79%	0.789	S	S	*	*			trans	64.4	139.2	153.4	-54.6	-15.5	0	0	0	116.2
53	A	28.4	Very low	29	Very low	81 Å²	81	144.8 Å²	144.8	67%	0.669	79%	0.788	S	S	*	*			cis	-165.3	170.9	40.3	0	0	0	0	0	111.8
54	D	31.8	Very low	29	Very low	146 Å²	146	145 Å²	145	78%	0.781	78%	0.782	S	S	*	*			trans	90.3	100.7	152.2	-54.3	-28.3	0	0	0	121.5
55	N	27.3	Very low	29.3	Very low	139 Å²	139	141.6 Å²	141.6	74%	0.743	76%	0.764	S	S	*	*				28.6	118.8	125.2	-63.2	-23.8	0	0	0	118.8
56	D	30.3	Very low	29.3	Very low	150 Å²	150	138.8 Å²	138.8	80%	0.802	74%	0.743	S	S	*	*				-176.1	133.8	108.3	-90.7	-21.7	0	0	0	113.5
57	D	29.7	Very low	29.3	Very low	122 Å²	122	137.4 Å²	137.4	65%	0.652	72%	0.723	S	S	*	*			trans	58.5	99.5	143.4	-72.1	-35.2	0	0	0	124.3
58	N	27	Very low	29.5	Very low	101 Å²	101	134 Å²	134	54%	0.54	71%	0.709	S	S	.	*				50.4	73.7	102.4	-61.5	-33.3	0	0	0	118.8	K142	N58-K142 PolarHBondContact ND2-NZ 3.21Å; N58-K142 VanDerWaalsContact ND2-NZ 3.17Å; N58-K142 WeakPolarHBondContact OD1-CE 3.17Å; N58-K142 PolarHBondContact OD1-NZ 3.5Å
59	N	29.5	Very low	29.4	Very low	160 Å²	160	137.2 Å²	137.2	86%	0.856	71%	0.705	S	S	*	*			trans	-160.3	67.1	155.2	-119.2	-13.9	0	0	0	114.2
60	T	28.2	Very low	29.6	Very low	137 Å²	137	130.9 Å²	130.9	84%	0.84	69%	0.694	S	S	*	*			trans	-138.3	58.4	173.7	47.1	0	0	0	0	111.5
61	N	27.6	Very low	29.7	Very low	161 Å²	161	124.9 Å²	124.9	86%	0.861	67%	0.671	S	S	*	*			trans	-138.8	68.7	169.9	-86.5	-33.2	0	0	0	110.3
62	S	30.3	Very low	29.9	Very low	82 Å²	82	127.3 Å²	127.3	57%	0.573	68%	0.676	S	S	*	*	S	Bend	trans	-141.4	-23.4	174.8	176.8	0	0	0	0	114.1
63	F	30.8	Very low	30.1	Very low	188 Å²	188	126.6 Å²	126.6	83%	0.825	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-89.7	-14.4	-172.9	-89.8	-92.8	0	0	0	116.1	S65	F63-S65 PolarHBondContact O-N 3.44Å
64	L	31.3	Very low	30.1	Very low	154 Å²	154	127 Å²	127	81%	0.806	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-81	-8.1	-175.3	-113.9	89.5	0	0	0	115.4
65	S	31	Very low	30.1	Very low	59 Å²	59	126.9 Å²	126.9	41%	0.413	67%	0.667	S	S	.	*	G	3₁₀ helix	trans	-105.4	-0.2	-173.9	82.6	0	0	0	0	115.5	F63 R69	F63-S65 PolarHBondContact O-N 3.44Å; S65-R69 WeakPolarHBondContact O-CB 3.43Å
66	L	30.6	Very low	30.1	Very low	85 Å²	85	131.6 Å²	131.6	45%	0.445	68%	0.675	S	S	.	*	S	Bend	trans	-104.4	-20.6	-172.8	-78	163	0	0	0	114.2	P829	L66-P829 HydrophobicContact CD2-CG 4.42Å
67	Y	31.2	Very low	30.1	Very low	109 Å²	109	136 Å²	136	43%	0.427	68%	0.68	S	S	.	*	S	Bend	trans	-86.7	-14.5	179.3	-125	-92	0	0	0	113.9	F845 V849	Y67-F845 HydrophobicContact CE1-CD2 4.24Å; Y67-F845 WeakPolarHBondContact OH-CD2 2.99Å; Y67-V849 HydrophobicContact CD1-CG2 4.08Å; Y67-V849 HydrophobicContact CE1-CG2 3.67Å
68	T	32.4	Very low	30.2	Very low	86 Å²	86	140.1 Å²	140.1	53%	0.528	69%	0.692	S	S	.	*	S	Bend	trans	-122.1	4.6	-174	12.7	0	0	0	0	114.5	N743	T68-N743 WeakPolarHBondContact CG2-ND2 3.32Å
69	R	29.3	Very low	30.4	Very low	193 Å²	193	145.4 Å²	145.4	73%	0.728	71%	0.71	S	S	*	*	S	Bend	trans	-116.8	6.2	-168.3	-146.1	171.1	-169.3	161.2	3.8	116.4	S65	S65-R69 WeakPolarHBondContact O-CB 3.43Å
70	C	29.8	Very low	30.4	Very low	91 Å²	91	147.6 Å²	147.6	62%	0.615	71%	0.712	S	S	*	*	S	Bend	trans	-94.9	9.2	176.1	-68	0	0	0	0	115.1
71	I	33.2	Very low	30.6	Very low	92 Å²	92	147.3 Å²	147.3	47%	0.472	70%	0.701	S	S	.	*	S	Bend	trans	-131	13.1	-168.9	-73.4	152.3	0	0	0	114	S740	I71-S740 VanDerWaalsContact CG2-O 3.31Å; I71-S740 WeakPolarHBondContact CG2-O 3.43Å; I71-S740 WeakPolarHBondContact CG2-OG 3.47Å
72	K	30.3	Very low	30.8	Very low	189 Å²	189	146.6 Å²	146.6	82%	0.822	70%	0.697	S	S	*	*			trans	-128.4	84.1	176.5	-72.4	-173.6	176.8	-179.4	0	112.5
73	N	31	Very low	30.8	Very low	133 Å²	133	150 Å²	150	71%	0.711	71%	0.708	S	S	*	*			trans	169.8	109.4	140.7	-107.1	-42.3	0	0	0	112.7
74	P	29.2	Very low	30.9	Very low	89 Å²	89	147.9 Å²	147.9	58%	0.578	71%	0.706	S	S	*	*	S	Bend	trans	-115.8	64.4	149	36.3	-24.2	0	0	0	108.4
75	N	31.6	Very low	31	Very low	144 Å²	144	146.7 Å²	146.7	77%	0.77	70%	0.7	S	S	*	*			trans	-162.5	69.4	170.2	-91.2	-35.8	0	0	0	111.9
76	R	28.4	Very low	31.1	Very low	239 Å²	239	150 Å²	150	90%	0.902	71%	0.713	S	S	*	*			trans	-164.7	78.1	160	-114.5	172.6	-174.2	-167.3	2.5	113
77	R	29.9	Very low	31.2	Very low	241 Å²	241	152 Å²	152	91%	0.909	72%	0.724	S	S	*	*			trans	-139.2	104.7	154.7	-87.5	-174.5	174.6	168.3	-0.6	109.1
78	K	32.1	Very low	31.3	Very low	210 Å²	210	152.9 Å²	152.9	91%	0.913	74%	0.737	S	S	*	*			trans	159.2	102.1	144.1	-88.5	169.5	-175.5	-177.2	0	111.2
79	K	30.8	Very low	31.3	Very low	211 Å²	211	155 Å²	155	92%	0.917	75%	0.745	S	S	*	*			trans	-178.1	103.4	131.5	-114.8	178.2	174.6	177.1	0	110.8
80	K	29.3	Very low	31.4	Very low	207 Å²	207	152.1 Å²	152.1	90%	0.9	74%	0.744	S	S	*	*			trans	-142	105.7	151.2	-101.4	-172.4	177.1	-179.8	0	105.2
81	Q	32.6	Very low	31.4	Very low	130 Å²	130	154.9 Å²	154.9	61%	0.607	75%	0.752	S	S	*	*			trans	170.8	126.5	131.7	-96.9	-179.9	-2.7	0	0	112.1
82	L	32.8	Very low	31.3	Very low	147 Å²	147	155.6 Å²	155.6	77%	0.77	77%	0.766	S	S	*	*			trans	73.5	95.8	141.6	-78.7	139.7	0	0	0	119.9
83	D	29	Very low	31.2	Very low	153 Å²	153	153.9 Å²	153.9	82%	0.818	77%	0.765	S	S	*	*			trans	-63.9	132.7	147.6	-62.8	-48.5	0	0	0	110.6
84	N	33.6	Very low	31.2	Very low	143 Å²	143	156.5 Å²	156.5	77%	0.765	77%	0.773	S	S	*	*			trans	-165	113.9	138.6	-108.7	-13.5	0	0	0	112.1
85	N	32.9	Very low	31.1	Very low	130 Å²	130	158.9 Å²	158.9	70%	0.695	78%	0.781	S	S	*	*			trans	61	116.6	136.2	-71	-13.6	0	0	0	122.6
86	N	32.8	Very low	31	Very low	127 Å²	127	161.2 Å²	161.2	68%	0.679	79%	0.787	S	S	*	*				85.8	110.3	121.7	-73.4	-10.4	0	0	0	120.7
87	N	33.1	Very low	30.9	Very low	128 Å²	128	156.6 Å²	156.6	68%	0.684	78%	0.775	S	S	*	*				81.3	117.8	123.6	-72.3	-8.9	0	0	0	120.1
88	N	33.3	Very low	30.8	Very low	128 Å²	128	151.2 Å²	151.2	68%	0.684	77%	0.774	S	S	*	*			trans	90.9	108.6	133.3	-69.1	-8.6	0	0	0	119
89	N	32	Very low	30.6	Very low	130 Å²	130	147.5 Å²	147.5	70%	0.695	76%	0.76	S	S	*	*				83.6	120.4	124.7	-73.5	-5.4	0	0	0	119.4
90	N	32.2	Very low	30.4	Very low	133 Å²	133	146.6 Å²	146.6	71%	0.711	76%	0.757	S	S	*	*			trans	94.8	114.1	139.2	-63.3	-12.3	0	0	0	118.1
91	N	30.5	Very low	30.2	Very low	148 Å²	148	141.6 Å²	141.6	79%	0.791	75%	0.747	S	S	*	*			trans	98.5	134.9	137.4	-72.1	-10.4	0	0	0	119.8
92	S	30.4	Very low	30	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	75%	0.751	S	S	*	*			trans	71.4	99.4	157.7	47.2	0	0	0	0	118.6
93	N	28.1	Very low	29.7	Very low	152 Å²	152	142.1 Å²	142.1	81%	0.813	75%	0.754	S	S	*	*				34.7	103.8	122.1	-67.4	-10.6	0	0	0	117
94	H	30.4	Very low	29.6	Very low	188 Å²	188	144.3 Å²	144.3	87%	0.87	76%	0.756	S	S	*	*				-162.5	122.2	119	-97.9	-57.2	0	0	0	110.4	H96	H94-H96 PolarHBondContact O-N 3.38Å
95	N	28	Very low	29.3	Very low	139 Å²	139	142.8 Å²	142.8	74%	0.743	76%	0.756	S	S	*	*			trans	-61	116.6	167.7	-81.4	-31.2	0	0	0	110.1
96	H	29	Very low	29	Very low	194 Å²	194	147.8 Å²	147.8	90%	0.898	77%	0.765	S	S	*	*			trans	-118.9	79.8	148.2	-89.1	-34.6	0	0	0	109	H94 S98	H94-H96 PolarHBondContact O-N 3.38Å; H96-S98 PolarHBondContact O-N 3.13Å
97	Q	27.2	Very low	28.7	Very low	142 Å²	142	148.7 Å²	148.7	66%	0.664	77%	0.769	S	S	*	*			trans	-63.6	110.9	152.1	-77.9	173.5	-28.9	0	0	107.5	H99	Q97-H99 HydrophobicContact CB-CB 4.39Å; Q97-H99 PolarHBondContact O-N 2.92Å
98	S	27.3	Very low	28.4	Very low	127 Å²	127	149 Å²	149	89%	0.888	78%	0.78	S	S	*	*			trans	-76.9	66.3	155.4	63.6	0	0	0	0	108.3	H96	H96-S98 PolarHBondContact O-N 3.13Å
99	H	27	Very low	28.3	Very low	132 Å²	132	148.1 Å²	148.1	61%	0.611	78%	0.784	S	S	*	*			trans	-97.5	113.7	155.4	-98.8	-91.8	0	0	0	105.5	Q97	Q97-H99 HydrophobicContact CB-CB 4.39Å; Q97-H99 PolarHBondContact O-N 2.92Å
100	F	26.8	Very low	28.2	Very low	193 Å²	193	146.8 Å²	146.8	85%	0.846	79%	0.785	S	S	*	*			trans	-117.4	65	151.9	-124.8	-88.3	0	0	0	107.8	L102	F100-L102 HydrophobicContact CE1-CD1 4.22Å; F100-L102 HydrophobicContact CZ-CD1 4.24Å
101	C	25.2	Very low	28.1	Very low	102 Å²	102	148.1 Å²	148.1	69%	0.689	79%	0.792	S	S	*	*			trans	-94.9	112.3	141.4	-78.6	0	0	0	0	105.5
102	L	28.8	Very low	28.2	Very low	135 Å²	135	147 Å²	147	71%	0.707	79%	0.79	S	S	*	*			trans	-120.5	101.5	153.8	-87.7	170.6	0	0	0	107.9	F100 F104	F100-L102 HydrophobicContact CE1-CD1 4.22Å; F100-L102 HydrophobicContact CZ-CD1 4.24Å; L102-F104 PolarHBondContact O-N 3.36Å
103	N	26	Very low	28	Very low	153 Å²	153	148.1 Å²	148.1	82%	0.818	80%	0.796	S	S	*	*			trans	-57	120.9	149.3	-80.8	-46.2	0	0	0	108.2
104	F	26.3	Very low	28.4	Very low	199 Å²	199	146.7 Å²	146.7	87%	0.873	80%	0.797	S	S	*	*			trans	-170.5	107.2	149.3	-118.3	-88.4	0	0	0	103.4	L102	L102-F104 PolarHBondContact O-N 3.36Å
105	C	27.8	Very low	28.4	Very low	111 Å²	111	142.9 Å²	142.9	75%	0.75	79%	0.792	S	S	*	*				-159	115.3	60.7	-157.4	0	0	0	0	108.8
106	R	26.1	Very low	28.7	Very low	234 Å²	234	141.1 Å²	141.1	88%	0.883	79%	0.79	S	S	*	*			trans	-95.7	140.5	155.5	-97.1	-178.8	173.4	167.6	-2.6	106.9
107	N	27.8	Very low	28.9	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	78%	0.782	S	S	*	*			trans	83.5	93	168.4	-60.6	-5.6	0	0	0	117.1
108	C	25.7	Very low	29.1	Very low	134 Å²	134	134.9 Å²	134.9	91%	0.905	79%	0.785	S	S	*	*			trans	-150.4	83.2	136.3	-92.8	0	0	0	0	108.4
109	S	31.5	Very low	29.4	Very low	110 Å²	110	133.9 Å²	133.9	77%	0.769	78%	0.777	S	S	*	*			trans	-129.6	107.1	157.6	-62.1	0	0	0	0	106.9
110	S	29.6	Very low	29.7	Very low	102 Å²	102	132.4 Å²	132.4	71%	0.713	78%	0.782	S	S	*	*			trans	27.3	111.2	135.5	56	0	0	0	0	116.3
111	N	30.4	Very low	30.1	Very low	161 Å²	161	128.4 Å²	128.4	86%	0.861	78%	0.778	S	S	*	*				-153.1	134.9	128.6	-95	-23.1	0	0	0	111.3
112	T	31.9	Very low	30.5	Very low	124 Å²	124	128.1 Å²	128.1	76%	0.761	78%	0.777	S	S	*	*			trans	-50.1	148.4	179.6	44.1	0	0	0	0	115.1
113	P	27.9	Very low	30.7	Very low	133 Å²	133	126.4 Å²	126.4	86%	0.864	78%	0.777	S	S	*	*			trans	-84	133.5	168.9	33.7	-28	0	0	0	110.1
114	S	34.8	Very low	31.1	Very low	121 Å²	121	125.2 Å²	125.2	85%	0.846	78%	0.775	S	S	*	*			trans	-133.8	146.8	151	63	0	0	0	0	108.8
115	S	32	Very low	31.5	Very low	108 Å²	108	119.7 Å²	119.7	76%	0.755	77%	0.766	S	S	*	*			trans	-81.5	170.9	-154.1	47.1	0	0	0	0	115.2
116	S	33.3	Very low	31.8	Very low	102 Å²	102	120 Å²	120	71%	0.713	77%	0.765	S	S	*	*			trans	85.3	101.4	146.7	60.6	0	0	0	0	119.6
117	S	32.7	Very low	32.2	Very low	103 Å²	103	114.2 Å²	114.2	72%	0.72	76%	0.755	S	S	*	*				73.7	115.9	119.9	65.5	0	0	0	0	121.2
118	S	32.7	Very low	32.4	Very low	103 Å²	103	115.5 Å²	115.5	72%	0.72	76%	0.757	S	S	*	*				78.3	112.5	129.2	62.1	0	0	0	0	121.1
119	S	33.2	Very low	32.6	Very low	105 Å²	105	114 Å²	114	73%	0.734	75%	0.754	S	S	*	*				89.5	124.4	124.4	60.2	0	0	0	0	121.7
120	S	33.4	Very low	32.4	Very low	101 Å²	101	112.1 Å²	112.1	71%	0.706	75%	0.752	S	S	*	*			trans	75.8	108.1	140.9	60.2	0	0	0	0	118.7
121	S	34	Very low	32.3	Very low	110 Å²	110	111.7 Å²	111.7	77%	0.769	76%	0.755	S	S	*	*				84.8	134.7	106.7	65.4	0	0	0	0	112.6
122	S	34	Very low	32.1	Very low	96 Å²	96	109.6 Å²	109.6	67%	0.671	75%	0.752	S	S	*	*			cis	-175.7	157.7	16.7	43.8	0	0	0	0	108.2
123	S	33.9	Very low	31.9	Very low	99 Å²	99	110.9 Å²	110.9	69%	0.692	76%	0.76	S	S	*	*			trans	61.8	137	143.7	66.7	0	0	0	0	118.8
124	T	34.6	Very low	31.8	Very low	127 Å²	127	108.4 Å²	108.4	78%	0.779	75%	0.75	S	S	*	*			cis	-178.1	151.2	20.8	-2.3	0	0	0	0	108.6
125	A	33.7	Very low	31.3	Very low	83 Å²	83	109.1 Å²	109.1	69%	0.686	75%	0.75	S	S	*	*			trans	63.6	136.4	139.6	0	0	0	0	0	119.2
126	T	34.9	Very low	31	Very low	119 Å²	119	108.2 Å²	108.2	73%	0.73	75%	0.748	S	S	*	*			cis	-173.4	132.4	21.4	6	0	0	0	0	110
127	T	34.1	Very low	30.5	Very low	112 Å²	112	107.2 Å²	107.2	69%	0.687	75%	0.747	S	S	*	*			trans	46.1	146.5	130	55.3	0	0	0	0	121.9
128	E	31.1	Very low	30.2	Very low	173 Å²	173	108.3 Å²	108.3	81%	0.808	75%	0.749	S	S	*	*			cis	-179.1	154.2	-13	-118.8	173.8	-179.6	0	0	108.1
129	A	29.9	Very low	30	Very low	103 Å²	103	110.1 Å²	110.1	85%	0.851	76%	0.756	S	S	*	*			trans	42	146.6	138.3	0	0	0	0	0	122.2
130	G	28.4	Very low	29.7	Very low	70 Å²	70	108.8 Å²	108.8	72%	0.722	76%	0.759	S	S	*	*			cis	143.5	159.8	10.3	0	0	0	0	0	110.9
131	A	27.6	Very low	29.5	Very low	93 Å²	93	115.8 Å²	115.8	77%	0.769	77%	0.77	S	S	*	*			trans	72.8	114.2	159.6	0	0	0	0	0	119
132	S	25.9	Very low	29.1	Very low	116 Å²	116	117.3 Å²	117.3	81%	0.811	76%	0.762	S	S	*	*				85.6	130.6	77.7	-62.7	0	0	0	0	113.9
133	V	28.3	Very low	29	Very low	151 Å²	151	121.6 Å²	121.6	92%	0.915	77%	0.772	S	S	*	*			trans	172.5	144.1	132.7	156.5	0	0	0	0	110.6
134	A	24.5	Very low	28.6	Very low	81 Å²	81	121.8 Å²	121.8	67%	0.669	77%	0.773	S	S	*	*			trans	-99.1	-179.5	-172.7	0	0	0	0	0	114
135	V	25.4	Very low	28.4	Very low	137 Å²	137	123.5 Å²	123.5	83%	0.83	78%	0.777	S	S	*	*			trans	115.8	108.4	143.6	-173.1	0	0	0	0	118.2
136	A	24.8	Very low	28.1	Very low	88 Å²	88	124.2 Å²	124.2	73%	0.727	78%	0.778	S	S	*	*			trans	66.5	127	132.4	0	0	0	0	0	124.8
137	A	24.2	Very low	27.9	Very low	82 Å²	82	128.7 Å²	128.7	68%	0.678	79%	0.787	S	S	*	*				71.9	118.7	122	0	0	0	0	0	121.8
138	T	26	Very low	27.6	Very low	126 Å²	126	128 Å²	128	77%	0.773	79%	0.787	S	S	*	*			trans	84.7	138.4	133.9	55.1	0	0	0	0	121.4
139	T	28.7	Very low	27.6	Very low	141 Å²	141	127.8 Å²	127.8	87%	0.865	79%	0.791	S	S	*	*			trans	87.4	119.9	158.3	58.9	0	0	0	0	119.3
140	G	25.7	Very low	27.7	Very low	77 Å²	77	127.3 Å²	127.3	79%	0.794	78%	0.779	S	S	*	*			trans	-60.8	159.2	-175.6	0	0	0	0	0	116.2
141	R	29.2	Very low	27.9	Very low	247 Å²	247	133.8 Å²	133.8	93%	0.932	79%	0.788	S	S	*	*			trans	-153.6	135.9	134.5	-125.7	174.7	-178.9	165.1	-1.5	108.9
142	K	27	Very low	28	Very low	142 Å²	142	134.6 Å²	134.6	62%	0.617	79%	0.785	S	S	*	*			trans	-60.6	138.7	168.1	-67.3	169.5	-176.7	151.5	0	108.5	N58	N58-K142 PolarHBondContact ND2-NZ 3.21Å; N58-K142 VanDerWaalsContact ND2-NZ 3.17Å; N58-K142 WeakPolarHBondContact OD1-CE 3.17Å; N58-K142 PolarHBondContact OD1-NZ 3.5Å
143	E	30.7	Very low	28.1	Very low	187 Å²	187	137.3 Å²	137.3	87%	0.874	79%	0.789	S	S	*	*			trans	-153.3	115.8	143.8	-109.9	165.4	-145.7	0	0	108.4
144	S	26.3	Very low	28.2	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	79%	0.786	S	S	*	*			trans	-60.8	136	165.9	45.6	0	0	0	0	110.1
145	N	30.8	Very low	28.5	Very low	162 Å²	162	141.3 Å²	141.3	87%	0.866	79%	0.794	S	S	*	*			trans	-156.2	126.4	135.8	-95.8	-27.4	0	0	0	111
146	S	26.4	Very low	28.8	Very low	99 Å²	99	144.1 Å²	144.1	69%	0.692	80%	0.795	S	S	*	*			trans	-59.3	139.9	175.6	48.2	0	0	0	0	113.2
147	F	30.1	Very low	29	Very low	213 Å²	213	144.4 Å²	144.4	93%	0.934	79%	0.792	S	S	*	*			trans	-143.3	106.1	140.4	-122.4	-89	0	0	0	109.5
148	S	27.6	Very low	29.5	Very low	98 Å²	98	148.3 Å²	148.3	69%	0.685	80%	0.796	S	S	*	*			trans	-75	147.1	167.8	41.3	0	0	0	0	110.9
149	L	32	Very low	29.6	Very low	168 Å²	168	148.6 Å²	148.6	88%	0.88	79%	0.793	S	S	*	*				-153.5	140.8	129.3	-96.2	175.3	0	0	0	110.8
150	P	32.2	Very low	29.6	Very low	92 Å²	92	147.7 Å²	147.7	60%	0.597	79%	0.792	S	S	*	*			trans	-111.7	172	-166.7	41.8	-31.9	0	0	0	112.8
151	F	31.6	Very low	29.5	Very low	207 Å²	207	151.8 Å²	151.8	91%	0.908	80%	0.795	S	S	*	*			trans	-155.4	145.1	138.7	-91.1	-71	0	0	0	112.6
152	P	31.5	Very low	29.4	Very low	109 Å²	109	147.4 Å²	147.4	71%	0.708	79%	0.788	S	S	*	*			trans	-110.2	162.9	-156.7	40.1	-30.3	0	0	0	115.3
153	L	26.1	Very low	29.2	Very low	173 Å²	173	145.2 Å²	145.2	91%	0.906	79%	0.791	S	S	*	*			trans	-82.4	133.8	162.7	-83.4	155.2	0	0	0	110.2
154	D	32	Very low	29.1	Very low	160 Å²	160	147.2 Å²	147.2	86%	0.856	79%	0.792	S	S	*	*			trans	-127.5	132.4	162.5	-106.1	-25.9	0	0	0	110.6
155	N	29.4	Very low	29	Very low	156 Å²	156	147 Å²	147	83%	0.834	79%	0.79	S	S	*	*			trans	-108.9	142.9	176	-105.6	-26.7	0	0	0	109
156	K	33.3	Very low	28.7	Very low	197 Å²	197	144.1 Å²	144.1	86%	0.857	78%	0.783	S	S	*	*			trans	-179.4	105.3	151.6	-101.4	164.1	-171.3	-175.4	0	109.1
157	S	28.4	Very low	28.8	Very low	93 Å²	93	149.4 Å²	149.4	65%	0.65	79%	0.793	S	S	*	*				79.4	113.3	91.8	68.6	0	0	0	0	115.4
158	H	33.9	Very low	28.5	Very low	165 Å²	165	146.3 Å²	146.3	76%	0.764	79%	0.785	S	S	*	*				178.7	125.1	118.2	-103	-74.3	0	0	0	112.8
159	D	27.8	Very low	28.6	Very low	132 Å²	132	148.5 Å²	148.5	71%	0.706	80%	0.795	S	S	*	*			trans	20.7	126.5	143	-51.1	-39.5	0	0	0	121.5
160	S	29.2	Very low	28.4	Very low	121 Å²	121	147.4 Å²	147.4	85%	0.846	79%	0.789	S	S	*	*				166.8	142.4	96.5	47.4	0	0	0	0	112.1
161	L	23.3	Very low	28.4	Very low	164 Å²	164	150.1 Å²	150.1	86%	0.859	80%	0.799	S	S	*	*			trans	-59.3	150	175.1	-71.6	136.9	0	0	0	112.3
162	I	27.9	Very low	28.4	Very low	155 Å²	155	145.4 Å²	145.4	80%	0.795	79%	0.787	S	S	*	*				-177	124.9	124.7	-87.9	150	0	0	0	109	Y164	I162-Y164 HydrophobicContact CG2-CD2 4.32Å
163	S	23.7	Very low	28.3	Very low	96 Å²	96	146.4 Å²	146.4	67%	0.671	79%	0.787	S	S	*	*			trans	-54.5	149.8	164.7	54.9	0	0	0	0	112.3
164	Y	27	Very low	28.5	Very low	229 Å²	229	148.3 Å²	148.3	90%	0.898	79%	0.788	S	S	*	*			trans	-160.8	146.6	132.5	-109	-75.7	0	0	0	113.2	I162	I162-Y164 HydrophobicContact CG2-CD2 4.32Å
165	S	24.6	Very low	28.3	Very low	98 Å²	98	145.5 Å²	145.5	69%	0.685	78%	0.777	S	S	*	*			trans	-76.6	163.1	-169.5	-173.7	0	0	0	0	114.3
166	S	23.9	Very low	28.4	Very low	101 Å²	101	144.6 Å²	144.6	71%	0.706	77%	0.772	S	S	*	*			trans	-33.7	142.1	166	52.3	0	0	0	0	116.2
167	K	28.4	Very low	28.1	Very low	211 Å²	211	142 Å²	142	92%	0.917	77%	0.767	S	S	*	*			trans	-164.3	135	139.3	-108.4	167.9	-171.7	-178.4	0	113.2
168	I	24.4	Very low	28.1	Very low	148 Å²	148	145.2 Å²	145.2	76%	0.759	78%	0.776	S	S	*	*			trans	-64.6	147.6	172.2	-67	156.5	0	0	0	111.2
169	T	30.3	Very low	27.8	Very low	144 Å²	144	142.4 Å²	142.4	88%	0.883	78%	0.775	S	S	*	*			trans	-165.3	134.6	137.4	27.9	0	0	0	0	112.9
170	N	27.6	Very low	27.7	Very low	144 Å²	144	141.4 Å²	141.4	77%	0.77	78%	0.778	S	S	*	*			trans	-73.8	159.4	174.3	-71.7	-35.9	0	0	0	114
171	N	32.3	Very low	27.8	Very low	149 Å²	149	141.5 Å²	141.5	80%	0.797	78%	0.776	S	S	*	*			trans	157.4	142	136.6	-86.1	-8.3	0	0	0	108.7
172	T	32	Very low	27.8	Very low	108 Å²	108	137.2 Å²	137.2	66%	0.663	77%	0.771	S	S	*	*			cis	-173.7	139.8	4.6	18.6	0	0	0	0	108.1
173	N	29.1	Very low	27.8	Very low	131 Å²	131	136.6 Å²	136.6	70%	0.701	78%	0.775	S	S	*	*			trans	36.1	130.2	141.9	-58.9	-13.8	0	0	0	122.5
174	F	30.3	Very low	27.7	Very low	213 Å²	213	141.5 Å²	141.5	93%	0.934	78%	0.784	S	S	*	*				-151.5	142.5	107.1	-107.2	-79.1	0	0	0	110.8
175	T	28.4	Very low	27.5	Very low	100 Å²	100	136.7 Å²	136.7	61%	0.613	78%	0.778	S	S	*	*			trans	-105.3	173	-159.1	48.2	0	0	0	0	113.9
176	N	30.8	Very low	27.4	Very low	138 Å²	138	137.8 Å²	137.8	74%	0.738	78%	0.781	S	S	*	*			trans	118.6	139.5	148.9	-61.5	-0.4	0	0	0	113
177	D	26.3	Very low	27.2	Very low	142 Å²	142	141 Å²	141	76%	0.759	79%	0.789	S	S	*	*			cis	-179	165.4	-35	-114.6	-24.3	0	0	0	104.1
178	I	29.2	Very low	27	Very low	160 Å²	160	137 Å²	137	82%	0.821	78%	0.783	S	S	*	*			trans	96.5	126.9	157.2	-38	-166.7	0	0	0	119.3
179	S	27.7	Very low	26.9	Very low	107 Å²	107	135.3 Å²	135.3	75%	0.748	78%	0.781	S	S	*	*			trans	-69.5	166.7	-175.9	47.4	0	0	0	0	119.4
180	S	25.5	Very low	26.8	Very low	110 Å²	110	135 Å²	135	77%	0.769	77%	0.774	S	S	*	*			trans	-39.6	178.3	162.4	-50.9	0	0	0	0	116.9
181	P	32.1	Very low	26.8	Very low	124 Å²	124	135.4 Å²	135.4	81%	0.805	77%	0.771	S	S	*	*			cis	-145.7	168.8	14.6	39.1	-16.8	0	0	0	119
182	G	23.3	Very low	26.3	Very low	74 Å²	74	133.4 Å²	133.4	76%	0.763	76%	0.764	S	S	*	*			trans	61.3	116.9	138.1	0	0	0	0	0	122.6
183	T	26.1	Very low	26	Very low	141 Å²	141	134.8 Å²	134.8	87%	0.865	77%	0.768	S	S	*	*			trans	-145.8	122.5	148.4	-50.3	0	0	0	0	111.8
184	K	22.4	Very low	25.7	Very low	200 Å²	200	134.8 Å²	134.8	87%	0.87	77%	0.768	S	S	*	*			trans	-72.2	138.4	164.9	-71.3	170.4	170.4	175.9	0	110.8
185	V	23.6	Very low	25.3	Very low	128 Å²	128	132.4 Å²	132.4	78%	0.776	76%	0.763	S	S	*	*			trans	-157.9	101.1	146.9	-179.6	0	0	0	0	107.6
186	T	22.7	Very low	24.9	Very low	120 Å²	120	133.7 Å²	133.7	74%	0.736	77%	0.765	S	S	*	*				93.4	115.9	87.9	-49.9	0	0	0	0	113.9
187	L	19.5	Very low	24.4	Very low	169 Å²	169	135.2 Å²	135.2	89%	0.885	77%	0.77	S	S	*	*			trans	-76	138.1	165.2	-72.6	157.3	0	0	0	110.6
188	T	23.8	Very low	24.2	Very low	128 Å²	128	133.7 Å²	133.7	79%	0.785	77%	0.77	S	S	*	*			trans	-149.7	123.3	154.7	47.7	0	0	0	0	110.6
189	P	22.8	Very low	23.8	Very low	111 Å²	111	132.7 Å²	132.7	72%	0.721	77%	0.771	S	S	*	*			trans	-89.5	150.3	161.4	35.4	-27.8	0	0	0	110
190	N	26.6	Very low	23.6	Very low	137 Å²	137	132.4 Å²	132.4	73%	0.733	77%	0.769	S	S	*	*			trans	170.3	125.2	141.2	-90.2	-12.6	0	0	0	114.3
191	H	27.5	Very low	23.6	Very low	154 Å²	154	134.4 Å²	134.4	71%	0.713	77%	0.771	S	S	*	*			trans	63.2	115	131.2	-70.1	-62.7	0	0	0	123.8
192	T	23.5	Very low	23.1	Very low	106 Å²	106	133.8 Å²	133.8	65%	0.65	77%	0.768	S	S	*	*				61.6	118	126.1	60.1	0	0	0	0	121.2
193	N	25.1	Very low	23.4	Very low	137 Å²	137	136.1 Å²	136.1	73%	0.733	77%	0.773	S	S	*	*				161.4	127.9	102.8	-90.2	-31.1	0	0	0	113.6
194	N	22.2	Very low	23.3	Very low	132 Å²	132	136.7 Å²	136.7	71%	0.706	77%	0.771	S	S	*	*			trans	51.8	133.5	141.2	-62.2	-19.1	0	0	0	123.2
195	I	22.6	Very low	23.6	Very low	163 Å²	163	136.3 Å²	136.3	84%	0.836	77%	0.772	S	S	*	*				169.7	101.9	129.3	-80.5	150.6	0	0	0	105.7
196	I	20.3	Very low	23.6	Very low	126 Å²	126	139.4 Å²	139.4	65%	0.646	78%	0.776	S	S	*	*				92.4	129.1	63.5	-71.3	175.2	0	0	0	114.3
197	M	20.5	Very low	23.9	Very low	171 Å²	171	141.1 Å²	141.1	84%	0.842	78%	0.78	S	S	*	*			trans	80.6	136	159	-80	-178	-57.7	0	0	119.7
198	S	22.1	Very low	24.1	Very low	110 Å²	110	137.5 Å²	137.5	77%	0.769	77%	0.769	S	S	*	*			cis	-170.5	155.4	7.4	40.5	0	0	0	0	111.8
199	V	20.2	Very low	24.1	Very low	139 Å²	139	139.5 Å²	139.5	84%	0.842	77%	0.773	S	S	*	*			trans	-105.3	176.3	-179.5	-171.7	0	0	0	0	110.5
200	S	23.3	Very low	24.1	Very low	100 Å²	100	138.7 Å²	138.7	70%	0.699	77%	0.77	S	S	*	*			trans	108.9	146.3	153.2	77.1	0	0	0	0	115.5
201	N	24.9	Very low	24	Very low	153 Å²	153	137.7 Å²	137.7	82%	0.818	77%	0.769	S	S	*	*			cis	-165.4	164.9	2	-126	-5.6	0	0	0	110.4
202	C	22.6	Very low	24	Very low	111 Å²	111	137.3 Å²	137.3	75%	0.75	77%	0.772	S	S	*	*			trans	-45.8	157.6	171.7	-60.8	0	0	0	0	116.9
203	S	28.5	Very low	24.4	Very low	123 Å²	123	137.2 Å²	137.2	86%	0.86	77%	0.773	S	S	*	*				175.2	141.5	109.5	36.3	0	0	0	0	114.3
204	N	25.2	Very low	24.5	Very low	153 Å²	153	138.2 Å²	138.2	82%	0.818	78%	0.778	S	S	*	*			trans	-55.7	154.1	176.2	-67.4	-38.7	0	0	0	114.5
205	Q	28.2	Very low	24.9	Very low	191 Å²	191	141 Å²	141	89%	0.893	78%	0.784	S	S	*	*				175.3	137.9	105.1	-96	178.5	-4.2	0	0	112.8
206	F	23.5	Very low	25.2	Very low	194 Å²	194	142.2 Å²	142.2	85%	0.851	78%	0.783	S	S	*	*			trans	-55.7	147.7	167.2	-81.4	-103.6	0	0	0	112.4
207	N	28.2	Very low	25.7	Very low	156 Å²	156	142.6 Å²	142.6	83%	0.834	79%	0.787	S	S	*	*				-166.9	129.8	116	-95.5	-26.3	0	0	0	112.4
208	S	24.1	Very low	26.1	Very low	93 Å²	93	140.9 Å²	140.9	65%	0.65	78%	0.781	S	S	*	*			trans	-50.4	156.2	163.2	49.8	0	0	0	0	113.6
209	I	23.8	Very low	26.6	Very low	169 Å²	169	143.7 Å²	143.7	87%	0.867	78%	0.782	S	S	*	*				-172.7	144.3	118.9	-88	148.6	0	0	0	108.9
210	S	23.9	Very low	26.9	Very low	94 Å²	94	145.4 Å²	145.4	66%	0.657	78%	0.778	S	S	*	*			trans	-100.1	-179.2	-164.3	60.3	0	0	0	0	114.4
211	V	24.8	Very low	27	Very low	117 Å²	117	146.3 Å²	146.3	71%	0.709	77%	0.774	S	S	*	*			trans	84.8	133.4	152.3	-177.6	0	0	0	0	113.5
212	D	26.7	Very low	27.2	Very low	146 Å²	146	145.7 Å²	145.7	78%	0.781	77%	0.77	S	S	*	*			cis	-156.9	159.8	28.7	-129.9	-20.2	0	0	0	110.7
213	P	31.6	Very low	27.4	Very low	104 Å²	104	144.4 Å²	144.4	68%	0.675	77%	0.768	S	S	*	*			trans	-103	148.6	172.9	35.3	-22	0	0	0	112.6
214	D	27.1	Very low	27.4	Very low	157 Å²	157	146.4 Å²	146.4	84%	0.84	76%	0.764	S	S	*	*			trans	-172.8	156.9	148.8	-117.5	-25	0	0	0	115.5
215	K	31.6	Very low	27.7	Very low	192 Å²	192	145.3 Å²	145.3	84%	0.835	76%	0.758	S	S	*	*			trans	93.5	99.8	170.7	-58.5	-178.3	179.3	178.3	0	116.2
216	K	27.4	Very low	27.6	Very low	187 Å²	187	142.3 Å²	142.3	81%	0.813	75%	0.752	S	S	*	*				57	111.4	69.9	-74.8	-172.1	177.2	173.4	0	115
217	D	32.4	Very low	27.6	Very low	135 Å²	135	138.1 Å²	138.1	72%	0.722	75%	0.747	S	S	*	*				163.8	113.6	117.6	-85.8	-35.9	0	0	0	109.6
218	N	27.1	Very low	27.5	Very low	135 Å²	135	137 Å²	137	72%	0.722	75%	0.746	S	S	*	*				66.4	114	90	-81.9	-36.2	0	0	0	115
219	H	32.7	Very low	27.6	Very low	169 Å²	169	140.8 Å²	140.8	78%	0.782	75%	0.753	S	S	*	*			trans	169.2	113.8	131.2	-88.3	-61.7	0	0	0	108.3
220	K	26.8	Very low	27.8	Very low	174 Å²	174	140.3 Å²	140.3	76%	0.757	75%	0.751	S	S	*	*				62	137.4	89	-80.7	-168.2	164.1	-176.4	0	112.3
221	I	25.7	Very low	27.8	Very low	119 Å²	119	141.8 Å²	141.8	61%	0.61	75%	0.751	S	S	*	*			cis	-176.9	171.6	3.4	-113.8	170.8	0	0	0	106.2
222	D	29.9	Very low	28.2	Very low	141 Å²	141	145.8 Å²	145.8	75%	0.754	76%	0.759	S	S	*	*			trans	94.2	108.2	166	-66.1	-30.5	0	0	0	116.8
223	A	27	Very low	28.1	Very low	84 Å²	84	149 Å²	149	69%	0.694	76%	0.76	S	S	*	*				62.5	133.7	53.4	0	0	0	0	0	110.9
224	Q	28.2	Very low	27.9	Very low	165 Å²	165	152.2 Å²	152.2	77%	0.771	77%	0.766	S	S	*	*			cis	-159.9	153.1	32.4	-62.3	167.2	-29.5	0	0	106.3
225	N	30.3	Very low	28.1	Very low	130 Å²	130	151.5 Å²	151.5	70%	0.695	77%	0.767	S	S	*	*				177	109.8	85.4	-97.8	-32.4	0	0	0	107.8
226	T	28	Very low	27.7	Very low	127 Å²	127	146 Å²	146	78%	0.779	76%	0.758	S	S	*	*				78.9	110.3	88.6	52.3	0	0	0	0	115.5
227	S	23.1	Very low	27.6	Very low	106 Å²	106	144.3 Å²	144.3	74%	0.741	76%	0.758	S	S	*	*			trans	-66.7	153.4	166.2	56.6	0	0	0	0	113.2
228	V	26.5	Very low	27.4	Very low	134 Å²	134	147.4 Å²	147.4	81%	0.812	77%	0.765	S	S	*	*			trans	-127.5	108.3	149.6	179.5	0	0	0	0	109.4	I230	V228-I230 HydrophobicContact CG1-CG1 4.3Å
229	H	25.3	Very low	27.4	Very low	172 Å²	172	149.6 Å²	149.6	80%	0.796	77%	0.768	S	S	*	*			trans	-83	134.8	161.7	-113.9	-66.2	0	0	0	108.4
230	I	27.9	Very low	27	Very low	159 Å²	159	149.4 Å²	149.4	82%	0.815	77%	0.767	S	S	*	*			trans	-119.6	126.7	153.4	-61.6	179.4	0	0	0	107.9	V228	V228-I230 HydrophobicContact CG1-CG1 4.3Å
231	N	24.8	Very low	27	Very low	124 Å²	124	146.2 Å²	146.2	66%	0.663	77%	0.767	S	S	*	*			trans	-120.6	139.7	-175.4	-172	-2.9	0	0	0	107.3
232	K	31.4	Very low	27.2	Very low	202 Å²	202	148.1 Å²	148.1	88%	0.878	78%	0.778	S	S	*	*			trans	-174.4	97	160.6	-101.6	169.7	-172.3	-173.3	0	105.7
233	R	26.2	Very low	26.9	Very low	214 Å²	214	147.7 Å²	147.7	81%	0.808	78%	0.781	S	S	*	*				58.8	127.4	71.4	-119.3	-175.6	-165.8	176.2	4.5	114.5
234	Q	27.5	Very low	26.9	Very low	170 Å²	170	149.8 Å²	149.8	79%	0.794	79%	0.785	S	S	*	*			trans	82.3	132.2	164.3	-61.1	170.4	-21	0	0	114.4
235	T	29.3	Very low	26.9	Very low	142 Å²	142	150 Å²	150	87%	0.871	79%	0.786	S	S	*	*			cis	-165.6	157.3	39.7	-18.2	0	0	0	0	110.9
236	A	24.3	Very low	26.8	Very low	77 Å²	77	155.4 Å²	155.4	64%	0.636	80%	0.799	S	S	*	*			trans	-78.4	170.2	173.2	0	0	0	0	0	113.3
237	D	24.8	Very low	26.6	Very low	152 Å²	152	158.5 Å²	158.5	81%	0.813	80%	0.804	S	S	*	*			trans	81.8	110.1	158.1	-56	-26.9	0	0	0	120.6
238	K	29.4	Very low	27	Very low	200 Å²	200	158.7 Å²	158.7	87%	0.87	81%	0.805	S	S	*	*				174	109.2	128.9	-95.6	167.2	-179	-179.1	0	109.5
239	F	25.6	Very low	27.2	Very low	180 Å²	180	161.1 Å²	161.1	79%	0.789	81%	0.805	S	S	*	*				64.7	110	90.5	-95.7	-86	0	0	0	115.5
240	H	25.6	Very low	27.4	Very low	166 Å²	166	157.5 Å²	157.5	77%	0.769	80%	0.799	S	S	*	*			trans	62.8	145.4	136.2	-84.7	49.4	0	0	0	121.2
241	S	25.9	Very low	27.4	Very low	106 Å²	106	157 Å²	157	74%	0.741	80%	0.798	S	S	*	*			trans	74.5	109	166.3	61.9	0	0	0	0	118.6
242	N	29.3	Very low	27.6	Very low	160 Å²	160	158.9 Å²	158.9	86%	0.856	81%	0.805	S	S	*	*				-173.6	94.6	112.8	-89	-10.7	0	0	0	111.2
243	T	24.3	Very low	27.3	Very low	132 Å²	132	155 Å²	155	81%	0.81	80%	0.799	S	S	*	*			trans	-91.6	121.7	152.6	32.1	0	0	0	0	108.7
244	T	27.2	Very low	27.2	Very low	127 Å²	127	150.2 Å²	150.2	78%	0.779	79%	0.793	S	S	*	*			trans	157.1	133	154.3	34.2	0	0	0	0	105.1
245	E	27.8	Very low	27.2	Very low	169 Å²	169	147.8 Å²	147.8	79%	0.79	79%	0.79	S	S	*	*			cis	-170.8	135.5	36.9	-118.1	163.3	-178.4	0	0	106.5
246	Y	28.8	Very low	26.9	Very low	245 Å²	245	146.5 Å²	146.5	96%	0.961	78%	0.782	S	S	*	*			trans	-177.1	90.6	137.9	-105.7	-75.2	0	0	0	107.5
247	Q	24.7	Very low	27	Very low	192 Å²	192	151.9 Å²	151.9	90%	0.897	80%	0.796	S	S	*	*			trans	-114.5	138.6	165.7	-96.8	-168.5	-14	0	0	109.1
248	S	30.4	Very low	26.9	Very low	109 Å²	109	150.4 Å²	150.4	76%	0.762	79%	0.792	S	S	*	*			trans	158	132.4	140.7	61.7	0	0	0	0	106.6
249	K	31.2	Very low	26.8	Very low	185 Å²	185	145.6 Å²	145.6	80%	0.804	78%	0.784	S	S	*	*			cis	-155	125.3	31.8	-73.2	179.9	177.1	170.7	0	108.6
250	S	29.9	Very low	26.9	Very low	97 Å²	97	144.5 Å²	144.5	68%	0.678	79%	0.785	S	S	*	*				61.6	138.1	97.7	80.3	0	0	0	0	115.3
251	N	27.1	Very low	27.1	Very low	149 Å²	149	141.9 Å²	141.9	80%	0.797	78%	0.782	S	S	*	*			cis	-175.1	163.9	10	-111.1	-8.3	0	0	0	110.8
252	M	28.3	Very low	27.3	Very low	163 Å²	163	143.7 Å²	143.7	80%	0.803	79%	0.789	S	S	*	*			trans	110	98.9	152.3	-61.5	-132.2	172.1	0	0	118.1
253	T	25.3	Very low	27.1	Very low	121 Å²	121	141.9 Å²	141.9	74%	0.742	78%	0.784	S	S	*	*				67.2	137.6	80	45.3	0	0	0	0	114.7
254	T	24.9	Very low	27.2	Very low	112 Å²	112	142.7 Å²	142.7	69%	0.687	79%	0.789	S	S	*	*			cis	-175.5	167.8	2.2	-78.4	0	0	0	0	108.5
255	T	26.6	Very low	27.1	Very low	120 Å²	120	141.8 Å²	141.8	74%	0.736	78%	0.783	S	S	*	*			trans	105.3	99	151.2	-29.9	0	0	0	0	114.8
256	V	23.4	Very low	27.2	Very low	114 Å²	114	142.2 Å²	142.2	69%	0.691	79%	0.789	S	S	*	*				67.5	111.8	63.9	-174.1	0	0	0	0	114.9
257	M	26	Very low	27	Very low	191 Å²	191	138.3 Å²	138.3	94%	0.941	78%	0.78	S	S	*	*			trans	-157.7	112.9	132.1	-87.8	-141	175.4	0	0	111.8
258	T	24.2	Very low	27.2	Very low	120 Å²	120	134 Å²	134	74%	0.736	77%	0.769	S	S	*	*			trans	-59.4	164.6	152.1	48.5	0	0	0	0	109.8
259	S	25.5	Very low	27	Very low	99 Å²	99	137 Å²	137	69%	0.692	77%	0.774	S	S	*	*			cis	178.6	158.8	28.3	25.7	0	0	0	0	104.8
260	I	28.3	Very low	26.8	Very low	157 Å²	157	134.7 Å²	134.7	81%	0.805	77%	0.771	S	S	*	*				179.8	138.2	92.5	-80	159.6	0	0	0	108
261	P	30.7	Very low	26.7	Very low	111 Å²	111	135.7 Å²	135.7	72%	0.721	77%	0.773	S	S	*	*			trans	-103.5	170.2	-176.5	39.7	-33	0	0	0	113.4
262	T	29.5	Very low	26.7	Very low	144 Å²	144	137.1 Å²	137.1	88%	0.883	77%	0.774	S	S	*	*			trans	-154.9	131	147.6	12.7	0	0	0	0	112.5
263	T	24.3	Very low	26.7	Very low	123 Å²	123	137.8 Å²	137.8	76%	0.755	77%	0.773	S	S	*	*			trans	-62.2	146	180	28.2	0	0	0	0	115.9
264	T	27.8	Very low	26.7	Very low	149 Å²	149	142.2 Å²	142.2	91%	0.914	78%	0.781	S	S	*	*			trans	-146.8	120	135.2	-14	0	0	0	0	110.7
265	T	24.9	Very low	26.8	Very low	107 Å²	107	144.5 Å²	144.5	66%	0.656	79%	0.788	S	S	*	*			trans	-76	133.6	-179	14.2	0	0	0	0	111.8
266	I	28.7	Very low	26.8	Very low	178 Å²	178	144.7 Å²	144.7	91%	0.913	78%	0.784	S	S	*	*			trans	-138.4	123.3	132	-59.8	-174.1	0	0	0	106.7
267	E	26.4	Very low	26.9	Very low	163 Å²	163	144.3 Å²	144.3	76%	0.762	78%	0.784	S	S	*	*			trans	-105.6	-176.6	-164.2	-133.4	-168.6	-145.9	0	0	110.1
268	P	28.4	Very low	27	Very low	103 Å²	103	139.5 Å²	139.5	67%	0.669	77%	0.77	S	S	*	*				-119.2	163.1	-108.6	38	-21.8	0	0	0	114.3
269	I	26.6	Very low	27	Very low	170 Å²	170	141.6 Å²	141.6	87%	0.872	78%	0.775	S	S	*	*			trans	-113.5	116.2	158.7	-63.4	178.3	0	0	0	109.8	V271	I269-V271 HydrophobicContact CG2-CG2 4.48Å
270	N	27.1	Very low	27	Very low	137 Å²	137	144.8 Å²	144.8	73%	0.733	78%	0.781	S	S	*	*			trans	-77.1	114.1	-180	-164.9	-2.4	0	0	0	110
271	V	27.1	Very low	27	Very low	118 Å²	118	144.6 Å²	144.6	72%	0.715	78%	0.78	S	S	*	*			trans	-142.7	85.7	157.7	-166.7	0	0	0	0	110.2	I269 K273	I269-V271 HydrophobicContact CG2-CG2 4.48Å; V271-K273 HydrophobicContact CG1-CB 4.3Å; V271-K273 PolarHBondContact O-N 3.45Å
272	H	26.6	Very low	26.7	Very low	179 Å²	179	142.7 Å²	142.7	83%	0.829	77%	0.774	S	S	*	*			trans	-60.7	112.8	145.7	-93.1	-71	0	0	0	108.7
273	K	28.6	Very low	26.6	Very low	178 Å²	178	142.7 Å²	142.7	77%	0.774	77%	0.768	S	S	*	*			trans	-159.1	124.1	150.9	-110.4	170.5	-173.3	179.6	0	109.9	V271 I275	V271-K273 HydrophobicContact CG1-CB 4.3Å; V271-K273 PolarHBondContact O-N 3.45Å; K273-I275 PolarHBondContact O-N 3.24Å
274	K	25.1	Very low	26.6	Very low	213 Å²	213	144 Å²	144	93%	0.926	77%	0.771	S	S	*	*			trans	-41.4	123.5	158.8	-70.8	170.4	172.7	175.3	0	109.1
275	I	27.3	Very low	26.6	Very low	161 Å²	161	142.2 Å²	142.2	83%	0.826	77%	0.765	S	S	*	*			trans	-118.1	110.4	162.2	-61	-180	0	0	0	107.4	K273	K273-I275 PolarHBondContact O-N 3.24Å
276	N	26.3	Very low	26.5	Very low	123 Å²	123	141.3 Å²	141.3	66%	0.658	77%	0.768	S	S	*	*			trans	-55.7	143.7	172.9	-110.9	-27.3	0	0	0	111.2	S278	N276-S278 PolarHBondContact O-N 3.29Å
277	P	25.6	Very low	26.4	Very low	106 Å²	106	142.9 Å²	142.9	69%	0.688	76%	0.763	S	S	*	*	S	Bend	trans	-84.5	92.3	174.9	33.4	-27.7	0	0	0	109
278	S	27.3	Very low	26.4	Very low	91 Å²	91	143.6 Å²	143.6	64%	0.636	77%	0.765	S	S	*	*			trans	-167.5	103.9	167.6	-76.2	0	0	0	0	110.4	N276	N276-S278 PolarHBondContact O-N 3.29Å
279	L	25.8	Very low	26.2	Very low	163 Å²	163	145 Å²	145	85%	0.853	77%	0.766	S	S	*	*			trans	-95.2	94.9	145	-107.9	105.6	0	0	0	106.2	I281	L279-I281 HydrophobicContact CD2-CD1 4.3Å; L279-I281 HydrophobicContact CD2-CG1 4.16Å
280	M	24.5	Very low	26.2	Very low	167 Å²	167	142.4 Å²	142.4	82%	0.823	75%	0.754	S	S	*	*			trans	-78.7	122.6	147.3	-63.2	-153.2	86.6	0	0	106.1
281	I	29.2	Very low	26.2	Very low	153 Å²	153	142.2 Å²	142.2	79%	0.785	75%	0.753	S	S	*	*			trans	-98.4	101.9	152.8	-61.8	177.3	0	0	0	104.1	L279	L279-I281 HydrophobicContact CD2-CD1 4.3Å; L279-I281 HydrophobicContact CD2-CG1 4.16Å
282	A	23.2	Very low	26.2	Very low	70 Å²	70	144 Å²	144	58%	0.579	75%	0.754	S	S	*	*			trans	-88.3	144.9	155.8	0	0	0	0	0	107.3
283	D	27.1	Very low	26.2	Very low	144 Å²	144	142.8 Å²	142.8	77%	0.77	75%	0.748	S	S	*	*			trans	144.3	103	142.4	-77.2	-22.4	0	0	0	113.3
284	N	24.4	Very low	26.1	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	74%	0.744	S	S	*	*				23.3	109.9	118	-66.8	-21.8	0	0	0	118
285	S	27.8	Very low	26.1	Very low	112 Å²	112	139.1 Å²	139.1	78%	0.783	75%	0.746	S	S	*	*			trans	171.9	98	132.6	37.8	0	0	0	0	106.9
286	A	24	Very low	25.9	Very low	87 Å²	87	138.7 Å²	138.7	72%	0.719	75%	0.745	S	S	*	*				41.1	101	90.5	0	0	0	0	0	111.7
287	Y	25.2	Very low	25.8	Very low	211 Å²	211	139.5 Å²	139.5	83%	0.827	75%	0.745	S	S	*	*			trans	179.8	127.1	133.9	-100	-66.7	0	0	0	111.6
288	F	26.8	Very low	25.8	Very low	179 Å²	179	142.9 Å²	142.9	79%	0.785	76%	0.755	S	S	*	*			trans	75.1	87.5	165.6	-63.4	-74.4	0	0	0	117.6
289	N	25	Very low	25.6	Very low	131 Å²	131	142.2 Å²	142.2	70%	0.701	75%	0.75	S	S	*	*				60.3	118.6	79.7	-98.8	35.7	0	0	0	115.2
290	D	26.3	Very low	25.5	Very low	116 Å²	116	143.1 Å²	143.1	62%	0.62	75%	0.747	S	S	*	*			trans	82.6	105.4	135.4	-62	-16.3	0	0	0	119.5
291	N	26.6	Very low	25.4	Very low	134 Å²	134	143 Å²	143	72%	0.717	75%	0.75	S	S	*	*				100.1	133.7	128.6	-61.7	-21.8	0	0	0	118.1
292	H	27.6	Very low	25.1	Very low	156 Å²	156	140.7 Å²	140.7	72%	0.722	74%	0.744	S	S	*	*			trans	88.9	104.9	164.8	-67.5	-81.9	0	0	0	118.7
293	E	25.8	Very low	25.3	Very low	152 Å²	152	145.1 Å²	145.1	71%	0.71	76%	0.757	S	S	*	*				95.7	130.5	125.5	-71.9	170.1	-158.8	0	0	120.4
294	N	27.4	Very low	25.1	Very low	130 Å²	130	148.7 Å²	148.7	70%	0.695	76%	0.761	S	S	*	*			trans	73.7	85.2	158.8	-58	-31.5	0	0	0	117.4	L296	N294-L296 VanDerWaalsContact C-N 3.26Å; N294-L296 PolarHBondContact O-N 3.44Å
295	L	24.3	Very low	25.5	Very low	185 Å²	185	145.7 Å²	145.7	97%	0.969	75%	0.745	S	S	*	*			trans	-64.3	86.9	157.3	-81.1	161.4	0	0	0	109.7	E297	L295-E297 PolarHBondContact O-N 2.98Å
296	L	24.1	Very low	25.6	Very low	152 Å²	152	145 Å²	145	80%	0.796	74%	0.74	S	S	*	*			trans	-66.6	115.6	165.6	-88.6	150.7	0	0	0	109.6	N294 I298	N294-L296 VanDerWaalsContact C-N 3.26Å; N294-L296 PolarHBondContact O-N 3.44Å; L296-I298 PolarHBondContact O-N 3.19Å
297	E	23.5	Very low	26	Very low	139 Å²	139	142.2 Å²	142.2	65%	0.65	71%	0.714	S	S	*	*			trans	-48.5	116.7	163.9	-78.1	-179.5	141.6	0	0	110.6	L295 S299	L295-E297 PolarHBondContact O-N 2.98Å; E297-S299 PolarHBondContact O-N 3.01Å
298	I	25.1	Very low	26.4	Very low	177 Å²	177	139.2 Å²	139.2	91%	0.908	71%	0.705	S	S	*	*	S	Bend	trans	-76.3	44.1	171	-54.4	175.1	0	0	0	109.9	L296	L296-I298 PolarHBondContact O-N 3.19Å
299	S	22.9	Very low	26.9	Very low	77 Å²	77	132.5 Å²	132.5	54%	0.538	68%	0.677	S	S	.	*			trans	-135.8	63.1	177.5	61.7	0	0	0	0	110.2	E297	E297-S299 PolarHBondContact O-N 3.01Å
300	K	24.7	Very low	27.4	Very low	182 Å²	182	129.7 Å²	129.7	79%	0.791	67%	0.667	S	S	*	*			trans	-175.4	76.8	166.6	-96.2	148.4	-173	176.9	0	108.8
301	L	23	Very low	27.9	Very low	166 Å²	166	126 Å²	126	87%	0.869	65%	0.647	S	S	*	*			trans	-101.5	114.9	160.1	-88.9	164.3	0	0	0	107.5	I303	L301-I303 PolarHBondContact O-N 3.24Å
302	P	23	Very low	28.4	Very low	104 Å²	104	123 Å²	123	68%	0.675	63%	0.628	S	S	*	*			trans	-67.1	134.5	176.1	26.3	-30.1	0	0	0	110	Y304	P302-Y304 PolarHBondContact O-N 3.4Å
303	I	26	Very low	28.9	Very low	163 Å²	163	116.8 Å²	116.8	84%	0.836	60%	0.601	S	S	*	*			trans	-59.2	120.9	171.5	-64	161.9	0	0	0	107.9	L301 D305	L301-I303 PolarHBondContact O-N 3.24Å; I303-D305 PolarHBondContact O-N 2.88Å
304	Y	24.1	Very low	29.6	Very low	219 Å²	219	113.2 Å²	113.2	86%	0.859	59%	0.585	S	S	*	*			trans	-76.4	107.8	169.8	-87.6	-88.3	0	0	0	109.2	P302	P302-Y304 PolarHBondContact O-N 3.4Å
305	D	31.7	Very low	30.4	Very low	88 Å²	88	115.1 Å²	115.1	47%	0.471	59%	0.587	S	S	.	*			trans	-76.2	133.5	162.9	-160.9	-2.3	0	0	0	109.3	I303 T307	I303-D305 PolarHBondContact O-N 2.88Å; D305-T307 HydrophobicContact CB-CG2 4.39Å; D305-T307 PolarHBondContact O-N 3.37Å; D305-T307 WeakPolarHBondContact OD1-CG2 3.31Å; D305-T307 WeakPolarHBondContact OD2-CG2 3.43Å; D305-T307 PolarHBondContact OD2-OG1 2.94Å
306	S	29.4	Very low	31.5	Very low	97 Å²	97	109.7 Å²	109.7	68%	0.678	56%	0.559	S	S	*	*	S	Bend	trans	-76.7	30.2	178.6	46.4	0	0	0	0	112.6
307	T	32.5	Very low	32.3	Very low	29 Å²	29	102.9 Å²	102.9	18%	0.178	52%	0.523	C	S	.	.			trans	-90.4	1.7	-167.9	44.7	0	0	0	0	115.9	D305 L309 S321 D323	D305-T307 HydrophobicContact CB-CG2 4.39Å; D305-T307 PolarHBondContact O-N 3.37Å; D305-T307 WeakPolarHBondContact OD1-CG2 3.31Å; D305-T307 WeakPolarHBondContact OD2-CG2 3.43Å; D305-T307 PolarHBondContact OD2-OG1 2.94Å; T307-L309 PolarHBondContact O-N 2.83Å; T307-L309 VanDerWaalsContact O-N 3.16Å; T307-S321 VanDerWaalsContact O-O 3.12Å; T307-D323 PolarHBondContact OG1-OD1 3.5Å; T307-D323 VanDerWaalsContact OG1-OD1 3.06Å
308	K	35.5	Very low	33.3	Very low	147 Å²	147	97.9 Å²	97.9	64%	0.639	50%	0.5	S	S	*	.			trans	-77.2	103.9	177	-71.3	-173.1	-179.4	-178.1	0	111.4	S321	K308-S321 WeakPolarHBondContact CA-O 3.32Å
309	L	35.5	Very low	34.1	Very low	38 Å²	38	90.3 Å²	90.3	20%	0.199	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118.4	162.8	-162.6	79.5	0	0	0	108	T307 I311 S321 L495	T307-L309 PolarHBondContact O-N 2.83Å; T307-L309 VanDerWaalsContact O-N 3.16Å; L309-I311 HydrophobicContact CD2-CD1 3.77Å; L309-I311 HydrophobicContact CD2-CG1 4.06Å; L309-I311 HydrophobicContact CG-CD1 4.41Å; L309-I311 HydrophobicContact CG-CG1 4.15Å; L309-S321 PolarHBondContact N-O 3.4Å; L309-S321 PolarHBondContact O-N 3.36Å; L309-L495 HydrophobicContact CD2-CD2 3.44Å; L309-L495 VanDerWaalsContact CD2-CD2 3.44Å
310	C	35.6	Very low	35	Very low	73 Å²	73	88.1 Å²	88.1	49%	0.493	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.6	171.1	-166.8	0	0	0	0	108.3	L319	C310-L319 CarbonylContact C-O 3.49Å; C310-L319 WeakPolarHBondContact CA-O 3.31Å
311	I	37.9	Very low	35.8	Very low	38 Å²	38	80.5 Å²	80.5	20%	0.195	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.2	176.4	-55.4	170.7	0	0	0	107.4	L309 C313 Q318 L319 L495	L309-I311 HydrophobicContact CD2-CD1 3.77Å; L309-I311 HydrophobicContact CD2-CG1 4.06Å; L309-I311 HydrophobicContact CG-CD1 4.41Å; L309-I311 HydrophobicContact CG-CG1 4.15Å; I311-C313 PolarHBondContact O-N 3.29Å; I311-Q318 CarbonylContact O-C 3.59Å; I311-Q318 WeakPolarHBondContact O-CA 3.21Å; I311-L319 HydrophobicContact CB-CB 4.34Å; I311-L319 HydrophobicContact CD1-CD2 4.31Å; I311-L319 PolarHBondContact N-O 3.01Å; I311-L319 PolarHBondContact O-N 2.88Å; I311-L495 HydrophobicContact CD1-CD1 3.62Å; I311-L495 HydrophobicContact CD1-CD2 3.41Å; I311-L495 VanDerWaalsContact CD1-CD2 3.41Å; I311-L495 HydrophobicContact CD1-CG 4.13Å
312	K	37.6	Very low	36.6	Very low	72 Å²	72	77.9 Å²	77.9	31%	0.313	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	105.9	168.7	-165.1	174.1	-175.2	175.8	0	108	Q318 D438 I439	K312-Q318 HydrophobicContact CG-CG 4.33Å; K312-D438 PolarHBondContact NZ-O 2.86Å; K312-I439 HydrophobicContact CD-CD1 4.44Å; K312-I439 HydrophobicContact CD-CG1 4.26Å
313	C	37.5	Very low	37.4	Very low	25 Å²	25	77 Å²	77	17%	0.169	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-45.4	-179.5	-65.6	0	0	0	0	110.9	I311 I317	I311-C313 PolarHBondContact O-N 3.29Å; C313-I317 HydrophobicContact CB-CB 4.2Å; C313-I317 HydrophobicContact CB-CG2 3.98Å; C313-I317 PolarHBondContact N-O 3.23Å
314	Q	39.3	Very low	37.9	Very low	76 Å²	76	75.6 Å²	75.6	36%	0.355	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	177.1	178.7	-73.6	-173	-6.8	0	0	110.6	N316 I317 D379	Q314-N316 PolarHBondContact O-N 2.91Å; Q314-I317 HydrophobicContact CB-CD1 4.43Å; Q314-I317 HydrophobicContact CB-CG1 4.48Å; Q314-I317 PolarHBondContact N-O 3.5Å; Q314-I317 PolarHBondContact O-N 2.96Å; Q314-D379 PolarHBondContact NE2-OD2 2.89Å
315	K	46.1	Very low	38.4	Very low	170 Å²	170	69.9 Å²	69.9	74%	0.739	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-18	-173.3	-155.6	171.2	-176.4	178	0	115.2
316	N	46.9	Very low	38.9	Very low	71 Å²	71	67 Å²	67	38%	0.38	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.1	17.4	178.8	-69.9	-22.2	0	0	0	113.5	Q314 L330 T331	Q314-N316 PolarHBondContact O-N 2.91Å; N316-L330 CarbonylContact O-C 3.58Å; N316-L330 WeakPolarHBondContact O-CA 3.47Å; N316-T331 WeakPolarHBondContact CB-O 3.49Å; N316-T331 PolarHBondContact O-N 3.08Å
317	I	40.6	Very low	39.6	Very low	10 Å²	10	63.4 Å²	63.4	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.4	-175.7	-54.1	178.8	0	0	0	109.4	C313 Q314 L328 L329 L330	C313-I317 HydrophobicContact CB-CB 4.2Å; C313-I317 HydrophobicContact CB-CG2 3.98Å; C313-I317 PolarHBondContact N-O 3.23Å; Q314-I317 HydrophobicContact CB-CD1 4.43Å; Q314-I317 HydrophobicContact CB-CG1 4.48Å; Q314-I317 PolarHBondContact N-O 3.5Å; Q314-I317 PolarHBondContact O-N 2.96Å; I317-L328 HydrophobicContact CG2-CD2 4.14Å; I317-L328 HydrophobicContact CG2-CG 4.37Å; I317-L329 WeakPolarHBondContact CA-O 3.38Å; I317-L330 HydrophobicContact CD1-CD2 4.36Å; I317-L330 HydrophobicContact CG1-CD2 3.9Å
318	Q	44.6	Very low	40	Very low	34 Å²	34	63.4 Å²	63.4	16%	0.159	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.6	171.3	-74.2	175.2	-10.7	0	0	110.4	I311 K312 L329	I311-Q318 CarbonylContact O-C 3.59Å; I311-Q318 WeakPolarHBondContact O-CA 3.21Å; K312-Q318 HydrophobicContact CG-CG 4.33Å; Q318-L329 HydrophobicContact CB-CB 4.22Å; Q318-L329 PolarHBondContact N-O 3.45Å; Q318-L329 PolarHBondContact O-N 3.36Å
319	L	40.8	Very low	40.4	Very low	17 Å²	17	57.3 Å²	57.3	9%	0.089	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.6	169.2	-169.4	79.7	0	0	0	108.2	C310 I311 L328 Y492	C310-L319 CarbonylContact C-O 3.49Å; C310-L319 WeakPolarHBondContact CA-O 3.31Å; I311-L319 HydrophobicContact CB-CB 4.34Å; I311-L319 HydrophobicContact CD1-CD2 4.31Å; I311-L319 PolarHBondContact N-O 3.01Å; I311-L319 PolarHBondContact O-N 2.88Å; L319-L328 HydrophobicContact CD1-CD1 3.69Å; L319-Y492 HydrophobicContact CD2-CE1 4.44Å
320	V	43	Very low	40.5	Very low	31 Å²	31	57.1 Å²	57.1	19%	0.188	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.9	174.9	-176	0	0	0	0	108.3	H326 I327 L329	V320-H326 WeakPolarHBondContact O-CA 3.33Å; V320-I327 HydrophobicContact CB-CB 4.48Å; V320-I327 PolarHBondContact N-O 3.45Å; V320-I327 PolarHBondContact O-N 2.85Å; V320-L329 HydrophobicContact CG2-CD1 3.79Å
321	S	40.2	Very low	40.8	Very low	23 Å²	23	54.9 Å²	54.9	16%	0.161	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.8	173.5	-172	0	0	0	0	109.4	T307 K308 L309 H326	T307-S321 VanDerWaalsContact O-O 3.12Å; K308-S321 WeakPolarHBondContact CA-O 3.32Å; L309-S321 PolarHBondContact N-O 3.4Å; L309-S321 PolarHBondContact O-N 3.36Å; S321-H326 WeakPolarHBondContact CB-ND1 3.29Å; S321-H326 PolarHBondContact OG-CE1 2.93Å; S321-H326 PolarHBondContact OG-ND1 3.15Å
322	K	40.4	Very low	40.9	Very low	110 Å²	110	55.9 Å²	55.9	48%	0.478	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	120.1	170.1	-179.2	-173.3	176.6	-167.9	0	107.8	Y324 E325	K322-Y324 VanDerWaalsContact C-N 3.28Å; K322-Y324 PolarHBondContact O-N 2.82Å; K322-Y324 VanDerWaalsContact O-N 3.08Å; K322-E325 PolarHBondContact N-O 3.09Å; K322-E325 CarbonylContact O-C 3.53Å; K322-E325 WeakPolarHBondContact O-CA 3.44Å; K322-E325 WeakPolarHBondContact O-CB 3.45Å; K322-E325 PolarHBondContact O-N 2.87Å
323	D	40.5	Very low	41	Very low	85 Å²	85	60.2 Å²	60.2	46%	0.455	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	48.7	168.3	-46.7	-29.9	0	0	0	113.6	T307 E325	T307-D323 PolarHBondContact OG1-OD1 3.5Å; T307-D323 VanDerWaalsContact OG1-OD1 3.06Å; D323-E325 PolarHBondContact O-N 2.99Å; D323-E325 VanDerWaalsContact O-N 3.11Å
324	Y	36.4	Very low	41.1	Very low	134 Å²	134	67.1 Å²	67.1	53%	0.525	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	-7.9	-178.5	-54.4	-98.4	0	0	0	115.8	K322 H326 H709	K322-Y324 VanDerWaalsContact C-N 3.28Å; K322-Y324 PolarHBondContact O-N 2.82Å; K322-Y324 VanDerWaalsContact O-N 3.08Å; Y324-H326 PolarHBondContact O-CD2 3.26Å; Y324-H709 AromaticContact CD2-CE1 3.44Å; Y324-H709 VanDerWaalsContact CD2-CE1 3.44Å; Y324-H709 WeakPolarHBondContact CD2-CE1 3.44Å; Y324-H709 AromaticContact CD2-ND1 3.35Å; Y324-H709 VanDerWaalsContact CD2-ND1 3.35Å; Y324-H709 WeakPolarHBondContact CD2-ND1 3.37Å; Y324-H709 AromaticContact CE2-CD2 3.8Å; Y324-H709 AromaticContact CE2-CE1 2.76Å; Y324-H709 WeakPolarHBondContact CE2-CE1 3.3Å; Y324-H709 AromaticContact CE2-CG 3.76Å; Y324-H709 AromaticContact CE2-ND1 3.09Å; Y324-H709 WeakPolarHBondContact CE2-ND1 3.38Å; Y324-H709 AromaticContact CE2-NE2 3.17Å; Y324-H709 WeakPolarHBondContact CE2-NE2 3.43Å; Y324-H709 AromaticContact CZ-CD2 3.46Å; Y324-H709 VanDerWaalsContact CZ-CD2 3.46Å; Y324-H709 AromaticContact CZ-CE1 3.3Å; Y324-H709 AromaticContact CZ-CG 3.64Å; Y324-H709 AromaticContact CZ-ND1 3.49Å; Y324-H709 AromaticContact CZ-NE2 3.2Å; Y324-H709 PolarHBondContact OH-CD2 3.22Å; Y324-H709 PolarHBondContact OH-CE1 3.36Å; Y324-H709 PolarHBondContact OH-NE2 2.99Å
325	E	33.4	Very low	41	Very low	99 Å²	99	64.5 Å²	64.5	46%	0.463	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.2	162.1	-72.5	-160.3	158.8	0	0	109.6	K322 D323	K322-E325 PolarHBondContact N-O 3.09Å; K322-E325 CarbonylContact O-C 3.53Å; K322-E325 WeakPolarHBondContact O-CA 3.44Å; K322-E325 WeakPolarHBondContact O-CB 3.45Å; K322-E325 PolarHBondContact O-N 2.87Å; D323-E325 PolarHBondContact O-N 2.99Å; D323-E325 VanDerWaalsContact O-N 3.11Å
326	H	42.7	Very low	40.6	Very low	29 Å²	29	62.9 Å²	62.9	13%	0.134	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.3	175.3	-53	-67.2	0	0	0	108.6	V320 S321 Y324 V342 Y492	V320-H326 WeakPolarHBondContact O-CA 3.33Å; S321-H326 WeakPolarHBondContact CB-ND1 3.29Å; S321-H326 PolarHBondContact OG-CE1 2.93Å; S321-H326 PolarHBondContact OG-ND1 3.15Å; Y324-H326 PolarHBondContact O-CD2 3.26Å; H326-V342 PolarHBondContact O-N 3.27Å; H326-Y492 HydrophobicContact CB-CE1 4.19Å; H326-Y492 WeakPolarHBondContact CB-OH 3.37Å; H326-Y492 AromaticContact CD2-CE1 3.42Å; H326-Y492 VanDerWaalsContact CD2-CE1 3.42Å; H326-Y492 WeakPolarHBondContact CD2-CE1 3.27Å; H326-Y492 AromaticContact CD2-CE2 3.71Å; H326-Y492 AromaticContact CD2-CZ 3.2Å; H326-Y492 PolarHBondContact CD2-OH 3.29Å; H326-Y492 AromaticContact CE1-CD1 3.71Å; H326-Y492 AromaticContact CE1-CE1 3.31Å; H326-Y492 WeakPolarHBondContact CE1-CE1 3.28Å; H326-Y492 AromaticContact CE1-CZ 3.95Å; H326-Y492 AromaticContact CG-CE1 3.4Å; H326-Y492 VanDerWaalsContact CG-CE1 3.4Å; H326-Y492 AromaticContact CG-CZ 3.3Å; H326-Y492 AromaticContact ND1-CE1 3.35Å; H326-Y492 VanDerWaalsContact ND1-CE1 3.35Å; H326-Y492 WeakPolarHBondContact ND1-CE1 3.36Å; H326-Y492 AromaticContact ND1-CZ 3.79Å; H326-Y492 AromaticContact NE2-CD1 3.64Å; H326-Y492 AromaticContact NE2-CE1 3.35Å; H326-Y492 VanDerWaalsContact NE2-CE1 3.35Å; H326-Y492 WeakPolarHBondContact NE2-CE1 3.44Å; H326-Y492 AromaticContact NE2-CZ 3.63Å
327	I	44.5	Very low	40.4	Very low	20 Å²	20	61.9 Å²	61.9	10%	0.103	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.9	-178	-61.3	162.6	0	0	0	106.7	V320 L329 K339	V320-I327 HydrophobicContact CB-CB 4.48Å; V320-I327 PolarHBondContact N-O 3.45Å; V320-I327 PolarHBondContact O-N 2.85Å; I327-L329 HydrophobicContact CG2-CD2 3.73Å; I327-L329 HydrophobicContact CG2-CG 3.96Å; I327-K339 VanDerWaalsContact CD1-CE 3.45Å; I327-K339 HydrophobicContact CG2-CD 4.24Å; I327-K339 HydrophobicContact CG2-CG 3.42Å; I327-K339 VanDerWaalsContact CG2-CG 3.42Å
328	L	40.5	Very low	40.3	Very low	29 Å²	29	67.3 Å²	67.3	15%	0.152	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120	163.3	-135.1	102.9	0	0	0	107.2	I317 L319 L330 I340 M376	I317-L328 HydrophobicContact CG2-CD2 4.14Å; I317-L328 HydrophobicContact CG2-CG 4.37Å; L319-L328 HydrophobicContact CD1-CD1 3.69Å; L328-L330 HydrophobicContact CD2-CG 4.35Å; L328-I340 HydrophobicContact CB-CB 4.01Å; L328-I340 PolarHBondContact N-O 3.32Å; L328-I340 VanDerWaalsContact N-O 3.09Å; L328-I340 PolarHBondContact O-N 3.17Å; L328-M376 HydrophobicContact CD1-CE 4.32Å
329	L	45.2	Very low	40.2	Very low	19 Å²	19	70.5 Å²	70.5	10%	0.099	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113	170.9	-64.2	172	0	0	0	108.2	I317 Q318 V320 I327 H337	I317-L329 WeakPolarHBondContact CA-O 3.38Å; Q318-L329 HydrophobicContact CB-CB 4.22Å; Q318-L329 PolarHBondContact N-O 3.45Å; Q318-L329 PolarHBondContact O-N 3.36Å; V320-L329 HydrophobicContact CG2-CD1 3.79Å; I327-L329 HydrophobicContact CG2-CD2 3.73Å; I327-L329 HydrophobicContact CG2-CG 3.96Å; L329-H337 HydrophobicContact CB-CB 4.45Å; L329-H337 HydrophobicContact CD2-CB 4.14Å
330	L	37.3	Very low	40.2	Very low	35 Å²	35	73.1 Å²	73.1	18%	0.183	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.7	170.9	-79.6	158.4	0	0	0	109	N316 I317 L328 N332 H337 E338 I340	N316-L330 CarbonylContact O-C 3.58Å; N316-L330 WeakPolarHBondContact O-CA 3.47Å; I317-L330 HydrophobicContact CD1-CD2 4.36Å; I317-L330 HydrophobicContact CG1-CD2 3.9Å; L328-L330 HydrophobicContact CD2-CG 4.35Å; L330-N332 PolarHBondContact O-N 3.46Å; L330-H337 CarbonylContact O-C 3.57Å; L330-H337 VanDerWaalsContact O-CA 3.3Å; L330-H337 WeakPolarHBondContact O-CA 3.45Å; L330-E338 HydrophobicContact CB-CB 4.37Å; L330-E338 PolarHBondContact N-O 2.78Å; L330-E338 PolarHBondContact O-N 2.87Å; L330-I340 HydrophobicContact CD1-CD1 3.39Å; L330-I340 HydrophobicContact CD1-CG1 4.17Å
331	T	41.6	Very low	39.8	Very low	26 Å²	26	74.5 Å²	74.5	16%	0.16	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	118	173.2	-20.2	0	0	0	0	109.2	N316 H337	N316-T331 WeakPolarHBondContact CB-O 3.49Å; N316-T331 PolarHBondContact O-N 3.08Å; T331-H337 PolarHBondContact OG1-CE1 2.85Å; T331-H337 PolarHBondContact OG1-ND1 2.89Å
332	N	39.8	Very low	39.6	Very low	58 Å²	58	75.6 Å²	75.6	31%	0.31	37%	0.372	S	S	.	.			trans	-71.7	170.5	171.1	75.8	11.6	0	0	0	110.7	L330 Q334 G335 K336	L330-N332 PolarHBondContact O-N 3.46Å; N332-Q334 PolarHBondContact O-N 2.97Å; N332-Q334 WeakPolarHBondContact OD1-CA 3.3Å; N332-Q334 WeakPolarHBondContact OD1-CB 3.26Å; N332-Q334 PolarHBondContact OD1-N 3.46Å; N332-G335 PolarHBondContact O-N 3.28Å; N332-G335 PolarHBondContact OD1-N 3.42Å; N332-K336 PolarHBondContact N-O 3.4Å; N332-K336 WeakPolarHBondContact ND2-CB 3.35Å; N332-K336 WeakPolarHBondContact OD1-CB 3.39Å; N332-K336 PolarHBondContact OD1-N 3.3Å; N332-K336 PolarHBondContact OD1-O 3.04Å
333	N	40.1	Very low	39.3	Very low	163 Å²	163	75.5 Å²	75.5	87%	0.872	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-9.8	-180	-61.6	-9.2	0	0	0	114.1
334	Q	39.6	Very low	38.8	Very low	170 Å²	170	76.5 Å²	76.5	79%	0.794	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	5.4	175.8	-59.8	-180	-21.7	0	0	112.7	N332 K336	N332-Q334 PolarHBondContact O-N 2.97Å; N332-Q334 WeakPolarHBondContact OD1-CA 3.3Å; N332-Q334 WeakPolarHBondContact OD1-CB 3.26Å; N332-Q334 PolarHBondContact OD1-N 3.46Å; Q334-K336 VanDerWaalsContact C-N 3.26Å; Q334-K336 PolarHBondContact O-N 3.01Å
335	G	36.2	Very low	38.5	Very low	22 Å²	22	76.5 Å²	76.5	23%	0.227	39%	0.391	C	S	.	.	S	Bend	trans	80	2.7	-176.2	0	0	0	0	0	114.2	N332 Y442	N332-G335 PolarHBondContact O-N 3.28Å; N332-G335 PolarHBondContact OD1-N 3.42Å; G335-Y442 PolarHBondContact O-OH 3.22Å; G335-Y442 VanDerWaalsContact O-OH 3.08Å
336	K	38.1	Very low	38.2	Very low	136 Å²	136	77 Å²	77	59%	0.591	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-83.1	123.8	179.9	-130.2	-178.7	-177.8	-177.6	0	109.5	N332 Q334	N332-K336 PolarHBondContact N-O 3.4Å; N332-K336 WeakPolarHBondContact ND2-CB 3.35Å; N332-K336 WeakPolarHBondContact OD1-CB 3.39Å; N332-K336 PolarHBondContact OD1-N 3.3Å; N332-K336 PolarHBondContact OD1-O 3.04Å; Q334-K336 VanDerWaalsContact C-N 3.26Å; Q334-K336 PolarHBondContact O-N 3.01Å
337	H	42.2	Very low	37.5	Very low	50 Å²	50	83.4 Å²	83.4	23%	0.231	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	126.3	176	-69.9	-80.7	0	0	0	111.4	L329 L330 T331 Y442	L329-H337 HydrophobicContact CB-CB 4.45Å; L329-H337 HydrophobicContact CD2-CB 4.14Å; L330-H337 CarbonylContact O-C 3.57Å; L330-H337 VanDerWaalsContact O-CA 3.3Å; L330-H337 WeakPolarHBondContact O-CA 3.45Å; T331-H337 PolarHBondContact OG1-CE1 2.85Å; T331-H337 PolarHBondContact OG1-ND1 2.89Å; H337-Y442 AromaticContact CD2-CD2 3.45Å; H337-Y442 VanDerWaalsContact CD2-CD2 3.45Å; H337-Y442 WeakPolarHBondContact CD2-CD2 3.45Å; H337-Y442 AromaticContact CD2-CE2 3.68Å; H337-Y442 AromaticContact CD2-CG 3.86Å; H337-Y442 AromaticContact NE2-CD2 3.13Å; H337-Y442 WeakPolarHBondContact NE2-CD2 3.42Å; H337-Y442 AromaticContact NE2-CE2 3.38Å; H337-Y442 WeakPolarHBondContact NE2-CE2 3.49Å; H337-Y442 AromaticContact NE2-CG 3.96Å
338	E	39	Very low	36.6	Very low	123 Å²	123	88.6 Å²	88.6	58%	0.575	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.8	163.8	-81.9	-174.9	161.1	0	0	109.7	L330	L330-E338 HydrophobicContact CB-CB 4.37Å; L330-E338 PolarHBondContact N-O 2.78Å; L330-E338 PolarHBondContact O-N 2.87Å
339	K	43.5	Very low	36	Very low	102 Å²	102	95.3 Å²	95.3	44%	0.443	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	115.7	178.1	-160.1	-177.6	-177.4	174.3	0	108.8	I327	I327-K339 VanDerWaalsContact CD1-CE 3.45Å; I327-K339 HydrophobicContact CG2-CD 4.24Å; I327-K339 HydrophobicContact CG2-CG 3.42Å; I327-K339 VanDerWaalsContact CG2-CG 3.42Å
340	I	39.9	Very low	35.2	Very low	72 Å²	72	101 Å²	101	37%	0.369	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	103.2	165.2	-56.1	-177.4	0	0	0	107.4	L328 L330	L328-I340 HydrophobicContact CB-CB 4.01Å; L328-I340 PolarHBondContact N-O 3.32Å; L328-I340 VanDerWaalsContact N-O 3.09Å; L328-I340 PolarHBondContact O-N 3.17Å; L330-I340 HydrophobicContact CD1-CD1 3.39Å; L330-I340 HydrophobicContact CD1-CG1 4.17Å
341	T	34	Very low	35	Very low	60 Å²	60	106.4 Å²	106.4	37%	0.368	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.2	119.3	174.7	-45.9	0	0	0	0	109.3	N343	T341-N343 VanDerWaalsContact CG2-OD1 3.26Å; T341-N343 WeakPolarHBondContact CG2-OD1 3.49Å; T341-N343 PolarHBondContact O-N 3Å
342	V	36.9	Very low	34.5	Very low	45 Å²	45	111.3 Å²	111.3	27%	0.273	59%	0.587	S	S	.	*			trans	-91.4	77.8	174.5	-170.8	0	0	0	0	108.5	H326 N344	H326-V342 PolarHBondContact O-N 3.27Å; V342-N344 PolarHBondContact O-N 2.86Å
343	N	33.2	Very low	34.1	Very low	109 Å²	109	116.2 Å²	116.2	58%	0.583	61%	0.613	S	S	*	*			trans	-77.3	120.5	-179.8	-88.9	-7.8	0	0	0	112.3	T341 N345	T341-N343 VanDerWaalsContact CG2-OD1 3.26Å; T341-N343 WeakPolarHBondContact CG2-OD1 3.49Å; T341-N343 PolarHBondContact O-N 3Å; N343-N345 PolarHBondContact O-N 3.04Å; N343-N345 VanDerWaalsContact O-N 3.15Å
344	N	30.6	Very low	33.7	Very low	106 Å²	106	111.8 Å²	111.8	57%	0.567	61%	0.605	S	S	*	*			trans	-74.6	86.9	161.4	-72.9	-21.2	0	0	0	108.6	V342	V342-N344 PolarHBondContact O-N 2.86Å
345	N	29.1	Very low	33.3	Very low	134 Å²	134	111.7 Å²	111.7	72%	0.717	61%	0.61	S	S	*	*			trans	167.4	110	153.1	-85.8	-33.3	0	0	0	111.4	N343	N343-N345 PolarHBondContact O-N 3.04Å; N343-N345 VanDerWaalsContact O-N 3.15Å
346	S	28	Very low	33	Very low	108 Å²	108	113.7 Å²	113.7	76%	0.755	63%	0.631	S	S	*	*			trans	180	109.3	147.3	35.8	0	0	0	0	109.5
347	I	28.1	Very low	32.6	Very low	165 Å²	165	118.5 Å²	118.5	85%	0.846	65%	0.647	S	S	*	*			trans	-103.4	110	162	-69.4	175.6	0	0	0	106.1
348	I	25.6	Very low	32	Very low	129 Å²	129	123 Å²	123	66%	0.662	67%	0.67	S	S	*	*			trans	36.4	115.3	135.5	-49.2	172.3	0	0	0	117.5
349	N	27.8	Very low	31.8	Very low	169 Å²	169	125.7 Å²	125.7	90%	0.904	68%	0.682	S	S	*	*				-146.1	112	127.4	-98.8	-20.3	0	0	0	109.1
350	N	29.5	Very low	31.5	Very low	139 Å²	139	128.9 Å²	128.9	74%	0.743	70%	0.699	S	S	*	*			trans	-73	143.2	174.8	-84.6	-19.7	0	0	0	110.6
351	N	31.5	Very low	31.3	Very low	149 Å²	149	128.6 Å²	128.6	80%	0.797	70%	0.7	S	S	*	*			trans	-166.9	128.2	133.8	-95.5	-20.2	0	0	0	111.8
352	N	32.4	Very low	31.4	Very low	129 Å²	129	129.1 Å²	129.1	69%	0.69	70%	0.703	S	S	*	*			trans	82.7	104	149.1	-62.9	-19.1	0	0	0	121.6
353	N	31.3	Very low	31.4	Very low	161 Å²	161	133.7 Å²	133.7	86%	0.861	72%	0.722	S	S	*	*				63.6	117.6	118.8	-65.5	-9.7	0	0	0	120.6
354	G	30.6	Very low	31.6	Very low	69 Å²	69	135.2 Å²	135.2	71%	0.711	73%	0.727	S	S	*	*			trans	153.9	101.2	143.7	0	0	0	0	0	115.6
355	N	32.4	Very low	32.1	Very low	168 Å²	168	134 Å²	134	90%	0.898	72%	0.719	S	S	*	*			trans	58.9	113.2	153.8	-61.2	-15.1	0	0	0	117.4
356	G	30	Very low	32.9	Very low	64 Å²	64	131.4 Å²	131.4	66%	0.66	71%	0.706	S	S	*	*				90.3	118.9	59.9	0	0	0	0	0	108.7
357	Y	28.4	Very low	34	Very low	238 Å²	238	132.3 Å²	132.3	93%	0.933	70%	0.702	S	S	*	*			trans	87.2	86.5	-169.4	-61.4	-85.3	0	0	0	115.6
358	M	30.8	Very low	35.1	Very low	144 Å²	144	128.7 Å²	128.7	71%	0.709	68%	0.683	S	S	*	*			trans	172.4	11	149.8	-94.7	-76.5	-141.3	0	0	114.5	H360 T361 T362	M358-H360 VanDerWaalsContact C-N 3.34Å; M358-H360 PolarHBondContact O-N 3.43Å; M358-T361 PolarHBondContact O-N 3.15Å; M358-T361 PolarHBondContact O-OG1 3.36Å; M358-T361 HydrophobicContact SD-CG2 4.02Å; M358-T361 PolarHBondContact SD-OG1 2.91Å; M358-T362 PolarHBondContact O-OG1 2.97Å
359	E	34.4	Very low	36.2	Very low	180 Å²	180	125.6 Å²	125.6	84%	0.841	67%	0.665	S	S	*	*	H	α-helix	trans	-60.5	-31.9	-173.3	-85.3	176.3	152.8	0	0	115.5	T361 T362	E359-T361 PolarHBondContact O-N 2.81Å; E359-T362 PolarHBondContact O-N 3.46Å
360	H	37.1	Very low	37.6	Very low	169 Å²	169	120 Å²	120	78%	0.782	64%	0.64	S	S	*	*	H	α-helix	trans	-75.1	-20.5	-177	-93.2	-54.1	0	0	0	115.6	M358	M358-H360 VanDerWaalsContact C-N 3.34Å; M358-H360 PolarHBondContact O-N 3.43Å
361	T	36	Very low	39.2	Very low	65 Å²	65	120.4 Å²	120.4	40%	0.399	64%	0.635	S	S	.	*	H	α-helix	trans	-79.8	-25.1	177.7	43.2	0	0	0	0	112.5	M358 E359 I365	M358-T361 PolarHBondContact O-N 3.15Å; M358-T361 PolarHBondContact O-OG1 3.36Å; M358-T361 HydrophobicContact SD-CG2 4.02Å; M358-T361 PolarHBondContact SD-OG1 2.91Å; E359-T361 PolarHBondContact O-N 2.81Å; T361-I365 WeakPolarHBondContact O-CB 3.35Å; T361-I365 VanDerWaalsContact O-CD1 3.31Å; T361-I365 WeakPolarHBondContact O-CD1 3.46Å; T361-I365 WeakPolarHBondContact O-CG1 3.47Å; T361-I365 PolarHBondContact O-N 2.99Å
362	T	36.5	Very low	40.3	Very low	71 Å²	71	117.9 Å²	117.9	44%	0.436	62%	0.617	S	S	.	*	H	α-helix	trans	-74.2	-43.9	-172.3	-32.6	0	0	0	0	111.8	M358 E359 M364 I365 D366	M358-T362 PolarHBondContact O-OG1 2.97Å; E359-T362 PolarHBondContact O-N 3.46Å; T362-M364 PolarHBondContact O-N 3.38Å; T362-I365 PolarHBondContact O-N 3.39Å; T362-D366 PolarHBondContact O-N 2.86Å
363	E	37.1	Very low	41.4	Very low	142 Å²	142	113.6 Å²	113.6	66%	0.664	59%	0.593	S	S	*	*	H	α-helix	trans	-61.4	-43.6	177.3	-78.5	-175.4	151.4	0	0	112.3	I365 D366 D367	E363-I365 VanDerWaalsContact C-N 3.3Å; E363-I365 PolarHBondContact O-N 3.44Å; E363-D366 PolarHBondContact O-N 2.89Å; E363-D367 PolarHBondContact O-N 2.87Å
364	M	36	Very low	42.8	Very low	141 Å²	141	111.9 Å²	111.9	70%	0.695	58%	0.578	S	S	*	*	H	α-helix	trans	-66.3	-35.4	-179.4	-151.7	-179.8	-171.1	0	0	111.7	T362 I368	T362-M364 PolarHBondContact O-N 3.38Å; M364-I368 WeakPolarHBondContact O-CD1 3.13Å; M364-I368 WeakPolarHBondContact O-CG1 3.38Å; M364-I368 PolarHBondContact O-N 2.8Å
365	I	41	Very low	44.1	Very low	79 Å²	79	112.8 Å²	112.8	41%	0.405	56%	0.564	S	S	.	*	H	α-helix	trans	-68.6	-40.5	175.6	-74.3	170.3	0	0	0	110.9	T361 T362 E363 I368 K369	T361-I365 WeakPolarHBondContact O-CB 3.35Å; T361-I365 VanDerWaalsContact O-CD1 3.31Å; T361-I365 WeakPolarHBondContact O-CD1 3.46Å; T361-I365 WeakPolarHBondContact O-CG1 3.47Å; T361-I365 PolarHBondContact O-N 2.99Å; T362-I365 PolarHBondContact O-N 3.39Å; E363-I365 VanDerWaalsContact C-N 3.3Å; E363-I365 PolarHBondContact O-N 3.44Å; I365-I368 PolarHBondContact O-N 2.89Å; I365-K369 HydrophobicContact CG2-CD 4.35Å; I365-K369 VanDerWaalsContact O-CG 3.31Å; I365-K369 WeakPolarHBondContact O-CG 3.26Å; I365-K369 PolarHBondContact O-N 2.88Å
366	D	46.4	Very low	45	Very low	80 Å²	80	106.5 Å²	106.5	43%	0.428	53%	0.529	S	S	.	.	H	α-helix	trans	-71.6	-35	-179.2	-71.9	-19.3	0	0	0	112.5	T362 E363 K369 S370	T362-D366 PolarHBondContact O-N 2.86Å; E363-D366 PolarHBondContact O-N 2.89Å; D366-K369 PolarHBondContact O-N 2.92Å; D366-K369 IonicContact OD1-NZ 2.83Å; D366-K369 PolarHBondContact OD1-NZ 3.06Å; D366-S370 WeakPolarHBondContact O-CB 3.43Å; D366-S370 PolarHBondContact O-N 3.05Å
367	D	51	Low	46	Very low	127 Å²	127	105.3 Å²	105.3	68%	0.679	51%	0.507	S	S	*	.	H	α-helix	trans	-64.7	-43.5	172	-114.1	12	0	0	0	111.9	E363 K369 S370 K371	E363-D367 PolarHBondContact O-N 2.87Å; D367-K369 PolarHBondContact O-N 3.18Å; D367-S370 PolarHBondContact O-N 3.4Å; D367-K371 WeakPolarHBondContact O-CB 3.45Å; D367-K371 PolarHBondContact O-N 3.12Å
368	I	51.9	Low	47.5	Very low	89 Å²	89	97.1 Å²	97.1	46%	0.456	48%	0.484	S	S	.	.	H	α-helix	trans	-63.7	-41.2	175.8	-68.7	166.9	0	0	0	110.8	M364 I365 K372	M364-I368 WeakPolarHBondContact O-CD1 3.13Å; M364-I368 WeakPolarHBondContact O-CG1 3.38Å; M364-I368 PolarHBondContact O-N 2.8Å; I365-I368 PolarHBondContact O-N 2.89Å; I368-K372 HydrophobicContact CG2-CD 4.36Å; I368-K372 WeakPolarHBondContact O-CB 3.22Å; I368-K372 WeakPolarHBondContact O-CG 3.34Å; I368-K372 PolarHBondContact O-N 3.43Å
369	K	48.8	Very low	48.5	Very low	65 Å²	65	93 Å²	93	28%	0.283	47%	0.465	S	S	.	.	H	α-helix	trans	-63.4	-47.8	175.5	-76	177.2	-153.3	149.4	0	111.7	I365 D366 D367 K371 K372 I373 F478	I365-K369 HydrophobicContact CG2-CD 4.35Å; I365-K369 VanDerWaalsContact O-CG 3.31Å; I365-K369 WeakPolarHBondContact O-CG 3.26Å; I365-K369 PolarHBondContact O-N 2.88Å; D366-K369 PolarHBondContact O-N 2.92Å; D366-K369 IonicContact OD1-NZ 2.83Å; D366-K369 PolarHBondContact OD1-NZ 3.06Å; D367-K369 PolarHBondContact O-N 3.18Å; K369-K371 VanDerWaalsContact C-N 3.27Å; K369-K371 PolarHBondContact O-N 2.99Å; K369-K372 PolarHBondContact O-N 3.37Å; K369-I373 WeakPolarHBondContact O-CB 3.43Å; K369-I373 VanDerWaalsContact O-CG1 3.29Å; K369-I373 WeakPolarHBondContact O-CG1 3.47Å; K369-I373 PolarHBondContact O-N 3.06Å; K369-F478 HydrophobicContact CD-CE1 4.11Å; K369-F478 VanDerWaalsContact CE-CZ 3.41Å
370	S	57.6	Low	49.3	Very low	52 Å²	52	85.2 Å²	85.2	36%	0.364	43%	0.429	S	S	.	.	H	α-helix	trans	-59.3	-41.6	180	-171.1	0	0	0	0	111.3	D366 D367 I373 K374	D366-S370 WeakPolarHBondContact O-CB 3.43Å; D366-S370 PolarHBondContact O-N 3.05Å; D367-S370 PolarHBondContact O-N 3.4Å; S370-I373 PolarHBondContact O-N 3.39Å; S370-K374 WeakPolarHBondContact O-CG 3.33Å; S370-K374 PolarHBondContact O-N 2.95Å
371	K	61.9	Low	50.2	Low	147 Å²	147	81.6 Å²	81.6	64%	0.639	41%	0.413	S	S	*	.	H	α-helix	trans	-65.8	-44.7	177	-146	175.9	-174.6	-178.3	0	112	D367 K369 K374 E375	D367-K371 WeakPolarHBondContact O-CB 3.45Å; D367-K371 PolarHBondContact O-N 3.12Å; K369-K371 VanDerWaalsContact C-N 3.27Å; K369-K371 PolarHBondContact O-N 2.99Å; K371-K374 PolarHBondContact O-N 3.36Å; K371-E375 WeakPolarHBondContact O-CG 3.39Å; K371-E375 PolarHBondContact O-N 3.44Å
372	K	54.6	Low	51.3	Low	96 Å²	96	84.1 Å²	84.1	42%	0.417	42%	0.42	S	S	.	.	H	α-helix	trans	-64.5	-37.7	175.3	-79.4	-174.2	174.4	-175.3	0	113.3	I368 K369 E375 M376	I368-K372 HydrophobicContact CG2-CD 4.36Å; I368-K372 WeakPolarHBondContact O-CB 3.22Å; I368-K372 WeakPolarHBondContact O-CG 3.34Å; I368-K372 PolarHBondContact O-N 3.43Å; K369-K372 PolarHBondContact O-N 3.37Å; K372-E375 PolarHBondContact O-N 3.03Å; K372-M376 WeakPolarHBondContact O-CB 3.4Å; K372-M376 PolarHBondContact O-N 2.92Å
373	I	55.4	Low	52	Low	38 Å²	38	85.5 Å²	85.5	20%	0.195	42%	0.418	C	S	.	.	H	α-helix	trans	-64.9	-42.3	175.4	-71.3	169.3	0	0	0	110.1	K369 S370 M376 E377	K369-I373 WeakPolarHBondContact O-CB 3.43Å; K369-I373 VanDerWaalsContact O-CG1 3.29Å; K369-I373 WeakPolarHBondContact O-CG1 3.47Å; K369-I373 PolarHBondContact O-N 3.06Å; S370-I373 PolarHBondContact O-N 3.39Å; I373-M376 PolarHBondContact O-N 3.13Å; I373-E377 WeakPolarHBondContact O-CB 2.94Å; I373-E377 WeakPolarHBondContact O-CG 3.48Å; I373-E377 PolarHBondContact O-N 3.4Å
374	K	60.2	Low	52.7	Low	126 Å²	126	80.2 Å²	80.2	55%	0.548	40%	0.395	S	S	.	.	H	α-helix	trans	-64.3	-39.4	174.9	-76	178.4	-178.7	173.1	0	112.9	S370 K371 E377 S378	S370-K374 WeakPolarHBondContact O-CG 3.33Å; S370-K374 PolarHBondContact O-N 2.95Å; K371-K374 PolarHBondContact O-N 3.36Å; K374-E377 PolarHBondContact O-N 2.83Å; K374-S378 PolarHBondContact O-N 3.36Å
375	E	58.2	Low	53.7	Low	87 Å²	87	80.5 Å²	80.5	41%	0.407	39%	0.392	S	S	.	.	H	α-helix	trans	-63.4	-47.5	173.7	-75.6	171.8	-175.5	0	0	110.8	K371 K372 E377 S378 D379	K371-E375 WeakPolarHBondContact O-CG 3.39Å; K371-E375 PolarHBondContact O-N 3.44Å; K372-E375 PolarHBondContact O-N 3.03Å; E375-E377 VanDerWaalsContact C-N 3.34Å; E375-E377 PolarHBondContact O-N 2.96Å; E375-S378 WeakPolarHBondContact O-CB 3.31Å; E375-S378 PolarHBondContact O-N 3.43Å; E375-D379 VanDerWaalsContact O-CG 3.26Å; E375-D379 PolarHBondContact O-N 3.4Å
376	M	51.5	Low	54.3	Low	36 Å²	36	81.4 Å²	81.4	18%	0.177	40%	0.395	C	S	.	.	H	α-helix	trans	-59.6	-39.9	172.9	-88.3	174.1	36.2	0	0	113.2	L328 K372 I373 S378 D379 I380	L328-M376 HydrophobicContact CD1-CE 4.32Å; K372-M376 WeakPolarHBondContact O-CB 3.4Å; K372-M376 PolarHBondContact O-N 2.92Å; I373-M376 PolarHBondContact O-N 3.13Å; M376-S378 VanDerWaalsContact C-N 3.34Å; M376-D379 PolarHBondContact O-N 3.44Å; M376-I380 WeakPolarHBondContact O-CB 3.18Å; M376-I380 WeakPolarHBondContact O-CG1 3.43Å; M376-I380 PolarHBondContact O-N 3.41Å
377	E	51.5	Low	54.6	Low	39 Å²	39	78.2 Å²	78.2	18%	0.182	38%	0.378	C	S	.	.	H	α-helix	trans	-59.7	-46.7	174.9	-83.5	179.1	166.5	0	0	110.5	I373 K374 E375 I380 E381 R487 I491	I373-E377 WeakPolarHBondContact O-CB 2.94Å; I373-E377 WeakPolarHBondContact O-CG 3.48Å; I373-E377 PolarHBondContact O-N 3.4Å; K374-E377 PolarHBondContact O-N 2.83Å; E375-E377 VanDerWaalsContact C-N 3.34Å; E375-E377 PolarHBondContact O-N 2.96Å; E377-I380 PolarHBondContact O-N 2.87Å; E377-E381 WeakPolarHBondContact O-CB 3.26Å; E377-E381 WeakPolarHBondContact O-CG 3.36Å; E377-E381 PolarHBondContact O-N 3.08Å; E377-R487 VanDerWaalsContact CD-NH1 3.32Å; E377-R487 WeakPolarHBondContact OE1-CD 3.35Å; E377-R487 IonicContact OE1-CZ 3.81Å; E377-R487 IonicContact OE1-NH1 2.92Å; E377-R487 PolarHBondContact OE1-NH1 2.94Å; E377-R487 IonicContact OE2-NH1 2.88Å; E377-R487 PolarHBondContact OE2-NH1 3.1Å; E377-I491 HydrophobicContact CG-CD1 3.81Å
378	S	60	Low	54.9	Low	67 Å²	67	75.2 Å²	75.2	47%	0.469	36%	0.36	S	S	.	.	H	α-helix	trans	-61.4	-48	176.6	-169.9	0	0	0	0	111.4	K374 E375 M376 I380 E381 E382	K374-S378 PolarHBondContact O-N 3.36Å; E375-S378 WeakPolarHBondContact O-CB 3.31Å; E375-S378 PolarHBondContact O-N 3.43Å; M376-S378 VanDerWaalsContact C-N 3.34Å; S378-I380 PolarHBondContact O-N 2.9Å; S378-E381 PolarHBondContact O-N 3.02Å; S378-E382 VanDerWaalsContact O-CB 3.25Å; S378-E382 WeakPolarHBondContact O-CB 3.44Å; S378-E382 PolarHBondContact O-N 3.15Å
379	D	50.9	Low	55.2	Low	56 Å²	56	75.1 Å²	75.1	30%	0.299	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-41	-179	-68.3	-11.8	0	0	0	111.3	Q314 E375 M376 Y383	Q314-D379 PolarHBondContact NE2-OD2 2.89Å; E375-D379 VanDerWaalsContact O-CG 3.26Å; E375-D379 PolarHBondContact O-N 3.4Å; M376-D379 PolarHBondContact O-N 3.44Å; D379-Y383 VanDerWaalsContact O-CB 3.25Å; D379-Y383 WeakPolarHBondContact O-CB 3.35Å; D379-Y383 PolarHBondContact O-N 2.77Å
380	I	51.1	Low	55.5	Low	18 Å²	18	73.6 Å²	73.6	9%	0.092	35%	0.352	C	S	.	.	H	α-helix	trans	-72.9	-41.2	178.1	-65.3	167.9	0	0	0	111.3	M376 E377 S378 E382 Y383 V384 I491 L495	M376-I380 WeakPolarHBondContact O-CB 3.18Å; M376-I380 WeakPolarHBondContact O-CG1 3.43Å; M376-I380 PolarHBondContact O-N 3.41Å; E377-I380 PolarHBondContact O-N 2.87Å; S378-I380 PolarHBondContact O-N 2.9Å; I380-E382 VanDerWaalsContact C-N 3.32Å; I380-Y383 PolarHBondContact O-N 2.82Å; I380-V384 HydrophobicContact CG2-CG2 4.2Å; I380-V384 WeakPolarHBondContact O-CB 3.42Å; I380-V384 VanDerWaalsContact O-CG2 3.27Å; I380-V384 WeakPolarHBondContact O-CG2 3.47Å; I380-V384 PolarHBondContact O-N 3.11Å; I380-I491 HydrophobicContact CD1-CG2 3.72Å; I380-I491 HydrophobicContact CG2-CG2 3.92Å; I380-L495 HydrophobicContact CG2-CD1 4.24Å
381	E	56.7	Low	55.4	Low	93 Å²	93	71.7 Å²	71.7	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-40.7	175.1	-79.8	-168.4	170.8	0	0	111.5	E377 S378 K385	E377-E381 WeakPolarHBondContact O-CB 3.26Å; E377-E381 WeakPolarHBondContact O-CG 3.36Å; E377-E381 PolarHBondContact O-N 3.08Å; S378-E381 PolarHBondContact O-N 3.02Å; E381-K385 WeakPolarHBondContact O-CB 3.49Å; E381-K385 VanDerWaalsContact O-CG 3.3Å; E381-K385 WeakPolarHBondContact O-CG 3.36Å; E381-K385 PolarHBondContact O-N 2.67Å
382	E	58.3	Low	55.4	Low	118 Å²	118	68.8 Å²	68.8	55%	0.551	33%	0.329	S	S	*	.	H	α-helix	trans	-64	-45.1	174.2	-170	171.6	178.1	0	0	110.9	S378 I380 K385 H386	S378-E382 VanDerWaalsContact O-CB 3.25Å; S378-E382 WeakPolarHBondContact O-CB 3.44Å; S378-E382 PolarHBondContact O-N 3.15Å; I380-E382 VanDerWaalsContact C-N 3.32Å; E382-K385 WeakPolarHBondContact O-CB 3.38Å; E382-K385 PolarHBondContact O-N 2.91Å; E382-H386 WeakPolarHBondContact O-CB 3.34Å; E382-H386 PolarHBondContact O-N 3.35Å
383	Y	50.8	Low	55.6	Low	100 Å²	100	65.9 Å²	65.9	39%	0.392	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-46.3	175.7	-177.1	-100	0	0	0	112.6	D379 I380 K385 H386 V387 L498 L513	D379-Y383 VanDerWaalsContact O-CB 3.25Å; D379-Y383 WeakPolarHBondContact O-CB 3.35Å; D379-Y383 PolarHBondContact O-N 2.77Å; I380-Y383 PolarHBondContact O-N 2.82Å; Y383-K385 VanDerWaalsContact C-N 3.33Å; Y383-K385 PolarHBondContact O-N 3.27Å; Y383-H386 WeakPolarHBondContact O-CB 3.22Å; Y383-H386 PolarHBondContact O-N 3.03Å; Y383-H386 VanDerWaalsContact O-N 3.11Å; Y383-V387 HydrophobicContact CD1-CG2 4.06Å; Y383-V387 HydrophobicContact CD2-CG2 4.38Å; Y383-V387 HydrophobicContact CE1-CG2 3.61Å; Y383-V387 HydrophobicContact CE2-CG2 3.96Å; Y383-V387 HydrophobicContact CG-CG2 4.43Å; Y383-V387 WeakPolarHBondContact O-CG2 3.42Å; Y383-V387 PolarHBondContact O-N 3.28Å; Y383-L498 HydrophobicContact CE1-CD2 4.23Å; Y383-L513 WeakPolarHBondContact OH-CD2 3.46Å
384	V	51.7	Low	55.7	Low	31 Å²	31	64.5 Å²	64.5	19%	0.188	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-42.2	177.1	170.2	0	0	0	0	110.6	I380 H386 Q388	I380-V384 HydrophobicContact CG2-CG2 4.2Å; I380-V384 WeakPolarHBondContact O-CB 3.42Å; I380-V384 VanDerWaalsContact O-CG2 3.27Å; I380-V384 WeakPolarHBondContact O-CG2 3.47Å; I380-V384 PolarHBondContact O-N 3.11Å; V384-H386 VanDerWaalsContact C-N 3.33Å; V384-H386 PolarHBondContact O-N 2.88Å; V384-Q388 VanDerWaalsContact O-CB 3.22Å; V384-Q388 WeakPolarHBondContact O-CB 3.36Å; V384-Q388 PolarHBondContact O-N 3.48Å
385	K	58.4	Low	55.6	Low	146 Å²	146	60.6 Å²	60.6	64%	0.635	30%	0.295	S	S	*	.	H	α-helix	trans	-60.9	-42.8	172.9	-77	172.6	-176.2	167.8	0	111.4	E381 E382 Y383 Q388 H389	E381-K385 WeakPolarHBondContact O-CB 3.49Å; E381-K385 VanDerWaalsContact O-CG 3.3Å; E381-K385 WeakPolarHBondContact O-CG 3.36Å; E381-K385 PolarHBondContact O-N 2.67Å; E382-K385 WeakPolarHBondContact O-CB 3.38Å; E382-K385 PolarHBondContact O-N 2.91Å; Y383-K385 VanDerWaalsContact C-N 3.33Å; Y383-K385 PolarHBondContact O-N 3.27Å; K385-Q388 PolarHBondContact O-N 3.24Å; K385-H389 VanDerWaalsContact O-CB 3.28Å; K385-H389 WeakPolarHBondContact O-CB 3.25Å; K385-H389 PolarHBondContact O-N 2.79Å
386	H	53.9	Low	55.9	Low	99 Å²	99	60.9 Å²	60.9	46%	0.458	30%	0.298	S	S	.	.	H	α-helix	trans	-65.4	-47	-179.3	-132.8	151.5	0	0	0	111.7	E382 Y383 V384 H389 I390	E382-H386 WeakPolarHBondContact O-CB 3.34Å; E382-H386 PolarHBondContact O-N 3.35Å; Y383-H386 WeakPolarHBondContact O-CB 3.22Å; Y383-H386 PolarHBondContact O-N 3.03Å; Y383-H386 VanDerWaalsContact O-N 3.11Å; V384-H386 VanDerWaalsContact C-N 3.33Å; V384-H386 PolarHBondContact O-N 2.88Å; H386-H389 PolarHBondContact O-N 3.21Å; H386-I390 WeakPolarHBondContact O-CG1 3.4Å; H386-I390 PolarHBondContact O-N 3.45Å
387	V	52.5	Low	56.3	Low	13 Å²	13	59.4 Å²	59.4	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-66	-40.8	177.4	-178	0	0	0	0	110.7	Y383 H389 I390 F391 L498	Y383-V387 HydrophobicContact CD1-CG2 4.06Å; Y383-V387 HydrophobicContact CD2-CG2 4.38Å; Y383-V387 HydrophobicContact CE1-CG2 3.61Å; Y383-V387 HydrophobicContact CE2-CG2 3.96Å; Y383-V387 HydrophobicContact CG-CG2 4.43Å; Y383-V387 WeakPolarHBondContact O-CG2 3.42Å; Y383-V387 PolarHBondContact O-N 3.28Å; V387-H389 VanDerWaalsContact C-N 3.32Å; V387-H389 PolarHBondContact O-N 2.92Å; V387-I390 PolarHBondContact O-N 2.9Å; V387-F391 WeakPolarHBondContact O-CB 3.42Å; V387-F391 PolarHBondContact O-N 3.13Å; V387-L498 HydrophobicContact CB-CD1 4.23Å; V387-L498 HydrophobicContact CB-CD2 4.13Å; V387-L498 HydrophobicContact CG1-CD1 3.71Å; V387-L498 HydrophobicContact CG1-CD2 4.09Å; V387-L498 HydrophobicContact CG1-CG 4.26Å; V387-L498 HydrophobicContact CG2-CD2 4.31Å
388	Q	56.1	Low	56.5	Low	64 Å²	64	60.5 Å²	60.5	30%	0.299	30%	0.296	S	S	.	.	H	α-helix	trans	-61.7	-41.3	174.5	-171.4	64.6	59.4	0	0	111.3	V384 K385 F391 D392	V384-Q388 VanDerWaalsContact O-CB 3.22Å; V384-Q388 WeakPolarHBondContact O-CB 3.36Å; V384-Q388 PolarHBondContact O-N 3.48Å; K385-Q388 PolarHBondContact O-N 3.24Å; Q388-F391 VanDerWaalsContact O-CB 3.27Å; Q388-F391 WeakPolarHBondContact O-CB 3.25Å; Q388-F391 PolarHBondContact O-N 3.13Å; Q388-F391 VanDerWaalsContact O-N 3.15Å; Q388-D392 PolarHBondContact NE2-OD1 3.45Å; Q388-D392 WeakPolarHBondContact O-CB 3.42Å; Q388-D392 PolarHBondContact O-N 2.89Å
389	H	59.3	Low	56.5	Low	86 Å²	86	61.6 Å²	61.6	40%	0.398	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-42.3	176.2	-171.3	-107.4	0	0	0	111.8	K385 H386 V387 F391 D392 H393 Y425	K385-H389 VanDerWaalsContact O-CB 3.28Å; K385-H389 WeakPolarHBondContact O-CB 3.25Å; K385-H389 PolarHBondContact O-N 2.79Å; H386-H389 PolarHBondContact O-N 3.21Å; V387-H389 VanDerWaalsContact C-N 3.32Å; V387-H389 PolarHBondContact O-N 2.92Å; H389-F391 VanDerWaalsContact C-N 3.29Å; H389-F391 PolarHBondContact O-N 3.21Å; H389-D392 PolarHBondContact O-N 2.86Å; H389-H393 WeakPolarHBondContact O-CB 3.44Å; H389-H393 PolarHBondContact O-N 2.85Å; H389-Y425 PolarHBondContact CE1-OH 2.96Å; H389-Y425 AromaticContact ND1-CZ 3.89Å; H389-Y425 PolarHBondContact ND1-OH 3.44Å
390	I	54.5	Low	57	Low	33 Å²	33	63.8 Å²	63.8	17%	0.169	31%	0.305	C	S	.	.	H	α-helix	trans	-59.1	-43.8	171.4	-68.9	166.4	0	0	0	110	H386 V387 H393 I394 F421	H386-I390 WeakPolarHBondContact O-CG1 3.4Å; H386-I390 PolarHBondContact O-N 3.45Å; V387-I390 PolarHBondContact O-N 2.9Å; I390-H393 PolarHBondContact O-N 3.48Å; I390-I394 HydrophobicContact CG2-CD1 3.61Å; I390-I394 HydrophobicContact CG2-CG1 4.27Å; I390-I394 WeakPolarHBondContact O-CB 3.27Å; I390-I394 VanDerWaalsContact O-CG1 3.24Å; I390-I394 WeakPolarHBondContact O-CG1 3.29Å; I390-I394 PolarHBondContact O-N 3.36Å; I390-F421 HydrophobicContact CG2-CE2 4.2Å; I390-F421 HydrophobicContact CG2-CZ 4.13Å
391	F	56.5	Low	57.1	Low	12 Å²	12	67.6 Å²	67.6	5%	0.053	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-48.6	180	-142.1	-97	0	0	0	112.9	V387 Q388 H389 H393 I394 N395 Q501 V502 F505 L508	V387-F391 WeakPolarHBondContact O-CB 3.42Å; V387-F391 PolarHBondContact O-N 3.13Å; Q388-F391 VanDerWaalsContact O-CB 3.27Å; Q388-F391 WeakPolarHBondContact O-CB 3.25Å; Q388-F391 PolarHBondContact O-N 3.13Å; Q388-F391 VanDerWaalsContact O-N 3.15Å; H389-F391 VanDerWaalsContact C-N 3.29Å; H389-F391 PolarHBondContact O-N 3.21Å; F391-H393 VanDerWaalsContact C-N 3.26Å; F391-H393 PolarHBondContact O-N 3.19Å; F391-I394 PolarHBondContact O-N 3.26Å; F391-N395 VanDerWaalsContact CD1-ND2 3.28Å; F391-N395 WeakPolarHBondContact CD1-ND2 3.34Å; F391-N395 PolarHBondContact O-N 3.08Å; F391-N395 PolarHBondContact O-ND2 3.27Å; F391-Q501 HydrophobicContact CZ-CB 4.15Å; F391-V502 HydrophobicContact CE2-CG2 4.39Å; F391-F505 AromaticContact CE1-CD2 3.93Å; F391-F505 HydrophobicContact CE1-CD2 3.93Å; F391-F505 AromaticContact CE1-CE2 3.41Å; F391-F505 HydrophobicContact CE1-CE2 3.41Å; F391-F505 VanDerWaalsContact CE1-CE2 3.41Å; F391-F505 AromaticContact CE1-CZ 3.98Å; F391-F505 HydrophobicContact CE1-CZ 3.98Å; F391-F505 HydrophobicContact CE2-CD2 4.04Å; F391-F505 HydrophobicContact CE2-CE2 4.31Å; F391-F505 AromaticContact CZ-CD2 3.22Å; F391-F505 HydrophobicContact CZ-CD2 3.22Å; F391-F505 AromaticContact CZ-CE2 3.12Å; F391-F505 HydrophobicContact CZ-CE2 3.12Å; F391-F505 HydrophobicContact CZ-CG 4.32Å; F391-F505 HydrophobicContact CZ-CZ 4.11Å; F391-L508 HydrophobicContact CD2-CD1 3.8Å; F391-L508 HydrophobicContact CE2-CD1 3.27Å; F391-L508 HydrophobicContact CZ-CD1 3.94Å
392	D	61.1	Low	56.9	Low	87 Å²	87	66.9 Å²	66.9	47%	0.465	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-40.4	179.1	-67.6	-12.4	0	0	0	109.6	Q388 H389 N395 L396	Q388-D392 PolarHBondContact NE2-OD1 3.45Å; Q388-D392 WeakPolarHBondContact O-CB 3.42Å; Q388-D392 PolarHBondContact O-N 2.89Å; H389-D392 PolarHBondContact O-N 2.86Å; D392-N395 PolarHBondContact O-N 2.82Å; D392-L396 WeakPolarHBondContact O-CB 2.76Å; D392-L396 PolarHBondContact O-N 3.33Å
393	H	59.8	Low	56.7	Low	35 Å²	35	68.8 Å²	68.8	16%	0.162	33%	0.334	C	S	.	.	H	α-helix	trans	-72.3	-37.5	178.4	-144.6	-70.6	0	0	0	113.2	H389 I390 F391 N395 L396 T397 S424 Y425	H389-H393 WeakPolarHBondContact O-CB 3.44Å; H389-H393 PolarHBondContact O-N 2.85Å; I390-H393 PolarHBondContact O-N 3.48Å; F391-H393 VanDerWaalsContact C-N 3.26Å; F391-H393 PolarHBondContact O-N 3.19Å; H393-N395 VanDerWaalsContact C-N 3.35Å; H393-L396 PolarHBondContact O-N 2.83Å; H393-T397 WeakPolarHBondContact O-CB 3.44Å; H393-T397 PolarHBondContact O-N 3.03Å; H393-T397 PolarHBondContact O-OG1 3.25Å; H393-S424 PolarHBondContact CE1-OG 2.84Å; H393-Y425 HydrophobicContact CB-CD2 4.45Å; H393-Y425 HydrophobicContact CB-CE2 3.58Å; H393-Y425 AromaticContact CD2-CE2 3.52Å; H393-Y425 AromaticContact CG-CD2 3.93Å; H393-Y425 AromaticContact CG-CE2 3.33Å; H393-Y425 AromaticContact ND1-CD2 3.83Å; H393-Y425 AromaticContact ND1-CE2 3.72Å
394	I	55.6	Low	56.8	Low	8 Å²	8	69.2 Å²	69.2	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-43.7	173.9	-71.6	169.6	0	0	0	110	I390 F391 T397 K398 F421 Y507 L508	I390-I394 HydrophobicContact CG2-CD1 3.61Å; I390-I394 HydrophobicContact CG2-CG1 4.27Å; I390-I394 WeakPolarHBondContact O-CB 3.27Å; I390-I394 VanDerWaalsContact O-CG1 3.24Å; I390-I394 WeakPolarHBondContact O-CG1 3.29Å; I390-I394 PolarHBondContact O-N 3.36Å; F391-I394 PolarHBondContact O-N 3.26Å; I394-T397 PolarHBondContact O-N 3.34Å; I394-K398 WeakPolarHBondContact O-CB 3.17Å; I394-K398 PolarHBondContact O-N 2.93Å; I394-F421 HydrophobicContact CD1-CD2 4.41Å; I394-F421 HydrophobicContact CD1-CE2 4.28Å; I394-F421 HydrophobicContact CG1-CD2 3.61Å; I394-F421 HydrophobicContact CG1-CE2 3.72Å; I394-Y507 HydrophobicContact CG2-CE2 3.71Å; I394-L508 HydrophobicContact CD1-CD2 3.79Å; I394-L508 HydrophobicContact CG2-CD2 4.38Å
395	N	58.3	Low	56.2	Low	44 Å²	44	72.7 Å²	72.7	24%	0.235	37%	0.365	C	S	.	.	H	α-helix	trans	-64.3	-42.5	175.2	-72.7	-47.4	0	0	0	111.6	F391 D392 H393 T397 K398 D399 Y507	F391-N395 VanDerWaalsContact CD1-ND2 3.28Å; F391-N395 WeakPolarHBondContact CD1-ND2 3.34Å; F391-N395 PolarHBondContact O-N 3.08Å; F391-N395 PolarHBondContact O-ND2 3.27Å; D392-N395 PolarHBondContact O-N 2.82Å; H393-N395 VanDerWaalsContact C-N 3.35Å; N395-T397 VanDerWaalsContact C-N 3.33Å; N395-T397 PolarHBondContact O-N 3.45Å; N395-K398 WeakPolarHBondContact O-CB 3.49Å; N395-K398 PolarHBondContact O-N 2.95Å; N395-D399 WeakPolarHBondContact O-CB 3.45Å; N395-D399 PolarHBondContact O-N 2.98Å; N395-Y507 PolarHBondContact OD1-OH 3.05Å
396	L	65.5	Low	55.4	Low	93 Å²	93	71.3 Å²	71.3	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-61.1	-42	175.1	-157.9	89.6	0	0	0	111.7	D392 H393 D399 Q400	D392-L396 WeakPolarHBondContact O-CB 2.76Å; D392-L396 PolarHBondContact O-N 3.33Å; H393-L396 PolarHBondContact O-N 2.83Å; L396-D399 PolarHBondContact O-N 3.05Å; L396-Q400 WeakPolarHBondContact O-CB 3.09Å; L396-Q400 VanDerWaalsContact O-CG 3.3Å; L396-Q400 WeakPolarHBondContact O-CG 3.38Å; L396-Q400 PolarHBondContact O-N 3.31Å
397	T	59.5	Low	54.5	Low	5 Å²	5	75.2 Å²	75.2	3%	0.031	39%	0.389	C	S	.	.	H	α-helix	trans	-67.3	-39.9	178.6	-49.1	0	0	0	0	110.6	H393 I394 N395 Q400 F401 A420	H393-T397 WeakPolarHBondContact O-CB 3.44Å; H393-T397 PolarHBondContact O-N 3.03Å; H393-T397 PolarHBondContact O-OG1 3.25Å; I394-T397 PolarHBondContact O-N 3.34Å; N395-T397 VanDerWaalsContact C-N 3.33Å; N395-T397 PolarHBondContact O-N 3.45Å; T397-Q400 PolarHBondContact O-N 3Å; T397-F401 HydrophobicContact CG2-CD2 4.44Å; T397-F401 WeakPolarHBondContact O-CB 3.35Å; T397-F401 PolarHBondContact O-N 3.12Å; T397-A420 HydrophobicContact CG2-CB 4.27Å
398	K	55.5	Low	53.7	Low	63 Å²	63	78 Å²	78	27%	0.274	41%	0.409	S	S	.	.	H	α-helix	trans	-62.4	-46	173.2	-179.6	-174.6	168.7	-174.7	0	111.1	I394 N395 Q400 F401 C402	I394-K398 WeakPolarHBondContact O-CB 3.17Å; I394-K398 PolarHBondContact O-N 2.93Å; N395-K398 WeakPolarHBondContact O-CB 3.49Å; N395-K398 PolarHBondContact O-N 2.95Å; K398-Q400 PolarHBondContact O-N 3.46Å; K398-F401 PolarHBondContact O-N 3.16Å; K398-C402 WeakPolarHBondContact O-CB 3.33Å; K398-C402 PolarHBondContact O-N 3.39Å; K398-C402 PolarHBondContact O-SG 3.44Å
399	D	61.3	Low	52.7	Low	90 Å²	90	83.2 Å²	83.2	48%	0.481	44%	0.439	S	S	.	.	H	α-helix	trans	-64.2	-40.9	178.7	-73	-15.3	0	0	0	111.3	N395 L396 C402 Q403	N395-D399 WeakPolarHBondContact O-CB 3.45Å; N395-D399 PolarHBondContact O-N 2.98Å; L396-D399 PolarHBondContact O-N 3.05Å; D399-C402 PolarHBondContact O-N 2.76Å; D399-Q403 WeakPolarHBondContact O-CB 3.17Å; D399-Q403 VanDerWaalsContact O-CG 3.25Å; D399-Q403 WeakPolarHBondContact O-CG 3.42Å; D399-Q403 PolarHBondContact O-N 2.99Å
400	Q	61.2	Low	51.7	Low	101 Å²	101	86.8 Å²	86.8	47%	0.472	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-45.4	173.4	-75.5	176.3	-13.1	0	0	111.8	L396 T397 K398 Q403 T404	L396-Q400 WeakPolarHBondContact O-CB 3.09Å; L396-Q400 VanDerWaalsContact O-CG 3.3Å; L396-Q400 WeakPolarHBondContact O-CG 3.38Å; L396-Q400 PolarHBondContact O-N 3.31Å; T397-Q400 PolarHBondContact O-N 3Å; K398-Q400 PolarHBondContact O-N 3.46Å; Q400-Q403 PolarHBondContact O-N 3.06Å; Q400-T404 WeakPolarHBondContact O-CG2 3.37Å; Q400-T404 PolarHBondContact O-N 2.94Å; Q400-T404 VanDerWaalsContact O-N 3.12Å; Q400-T404 PolarHBondContact O-OG1 3.32Å
401	F	52	Low	51.1	Low	98 Å²	98	92.8 Å²	92.8	43%	0.43	48%	0.481	S	S	.	.	H	α-helix	trans	-65.3	-40.3	177.8	-110.7	-91.5	0	0	0	112.6	T397 K398 Q403 T404 A420	T397-F401 HydrophobicContact CG2-CD2 4.44Å; T397-F401 WeakPolarHBondContact O-CB 3.35Å; T397-F401 PolarHBondContact O-N 3.12Å; K398-F401 PolarHBondContact O-N 3.16Å; F401-Q403 VanDerWaalsContact C-N 3.3Å; F401-Q403 PolarHBondContact O-N 3.04Å; F401-T404 WeakPolarHBondContact CA-OG1 3.47Å; F401-T404 PolarHBondContact O-N 2.92Å; F401-T404 PolarHBondContact O-OG1 2.81Å; F401-A420 HydrophobicContact CD2-CB 4.16Å; F401-A420 HydrophobicContact CE2-CB 3.44Å; F401-A420 VanDerWaalsContact CE2-CB 3.44Å; F401-A420 HydrophobicContact CZ-CB 4.02Å
402	C	54.1	Low	50.6	Low	78 Å²	78	95 Å²	95	53%	0.527	49%	0.493	S	S	.	.	H	α-helix	trans	-68.1	-27.8	176.1	-72	0	0	0	0	112.7	K398 D399	K398-C402 WeakPolarHBondContact O-CB 3.33Å; K398-C402 PolarHBondContact O-N 3.39Å; K398-C402 PolarHBondContact O-SG 3.44Å; D399-C402 PolarHBondContact O-N 2.76Å
403	Q	54.2	Low	50	Low	159 Å²	159	95 Å²	95	74%	0.743	49%	0.493	S	S	*	.	H	α-helix	trans	-78	-29.6	175.1	-74.9	176.4	27.6	0	0	113	D399 Q400 F401	D399-Q403 WeakPolarHBondContact O-CB 3.17Å; D399-Q403 VanDerWaalsContact O-CG 3.25Å; D399-Q403 WeakPolarHBondContact O-CG 3.42Å; D399-Q403 PolarHBondContact O-N 2.99Å; Q400-Q403 PolarHBondContact O-N 3.06Å; F401-Q403 VanDerWaalsContact C-N 3.3Å; F401-Q403 PolarHBondContact O-N 3.04Å
404	T	51.4	Low	49.3	Very low	108 Å²	108	97.2 Å²	97.2	66%	0.663	51%	0.506	S	S	*	.	H	α-helix	trans	-78.8	-18.3	-175.5	44.5	0	0	0	0	114.9	Q400 F401	Q400-T404 WeakPolarHBondContact O-CG2 3.37Å; Q400-T404 PolarHBondContact O-N 2.94Å; Q400-T404 VanDerWaalsContact O-N 3.12Å; Q400-T404 PolarHBondContact O-OG1 3.32Å; F401-T404 WeakPolarHBondContact CA-OG1 3.47Å; F401-T404 PolarHBondContact O-N 2.92Å; F401-T404 PolarHBondContact O-OG1 2.81Å
405	D	39.6	Very low	49.2	Very low	105 Å²	105	103.2 Å²	103.2	56%	0.561	53%	0.532	S	S	*	.			trans	-130.1	79.7	-175.7	-137.1	-19.1	0	0	0	112.7	K407	D405-K407 PolarHBondContact O-N 3.16Å; D405-K407 VanDerWaalsContact O-N 3.14Å
406	S	41.3	Very low	49	Very low	116 Å²	116	105.1 Å²	105.1	81%	0.811	54%	0.539	S	S	*	.			trans	-73.3	8.1	176.1	50.5	0	0	0	0	113.9
407	K	36.1	Very low	48.3	Very low	181 Å²	181	102.1 Å²	102.1	79%	0.787	52%	0.524	S	S	*	.	S	Bend	trans	-143.1	56.7	-171.7	-68.4	-174.6	179.2	176.7	0	114	D405	D405-K407 PolarHBondContact O-N 3.16Å; D405-K407 VanDerWaalsContact O-N 3.14Å
408	S	34.9	Very low	47.9	Very low	72 Å²	72	106.1 Å²	106.1	50%	0.503	54%	0.538	S	S	.	.			trans	178	145.9	144	51.6	0	0	0	0	111.3	Y410	S408-Y410 PolarHBondContact O-N 3.44Å
409	N	35	Very low	47.9	Very low	174 Å²	174	106.7 Å²	106.7	93%	0.93	54%	0.544	S	S	*	.			trans	-69	60.9	167	-83	-24	0	0	0	110.7	I411	N409-I411 PolarHBondContact O-N 3.38Å
410	Y	38.3	Very low	47.6	Very low	161 Å²	161	103.1 Å²	103.1	63%	0.631	53%	0.527	S	S	*	.			trans	-80.5	117.4	177.1	-138.4	-90.7	0	0	0	109.3	S408 I412	S408-Y410 PolarHBondContact O-N 3.44Å; Y410-I412 PolarHBondContact O-N 3.05Å; Y410-I412 VanDerWaalsContact O-N 3.16Å
411	I	42.8	Very low	47	Very low	158 Å²	158	98.8 Å²	98.8	81%	0.81	51%	0.507	S	S	*	.			trans	-68.7	109	167.9	-62.3	173.2	0	0	0	105.9	N409 D413	N409-I411 PolarHBondContact O-N 3.38Å; I411-D413 PolarHBondContact O-N 2.94Å
412	I	44.9	Very low	47.1	Very low	60 Å²	60	97.1 Å²	97.1	31%	0.308	50%	0.502	S	S	.	.			trans	-67.7	115.3	175.8	-55.7	174.4	0	0	0	107.5	Y410 Q416 L417	Y410-I412 PolarHBondContact O-N 3.05Å; Y410-I412 VanDerWaalsContact O-N 3.16Å; I412-Q416 HydrophobicContact CG2-CB 4.24Å; I412-L417 HydrophobicContact CB-CD1 4.31Å; I412-L417 HydrophobicContact CG2-CB 4.12Å; I412-L417 HydrophobicContact CG2-CD1 3.66Å; I412-L417 HydrophobicContact CG2-CG 3.76Å
413	D	48.4	Very low	47.2	Very low	86 Å²	86	98.6 Å²	98.6	46%	0.46	51%	0.509	S	S	.	.			trans	-63.1	135.8	169	174.5	5.1	0	0	0	108.8	I411 K415 Q416 L417	I411-D413 PolarHBondContact O-N 2.94Å; D413-K415 PolarHBondContact O-N 3.06Å; D413-K415 PolarHBondContact OD1-N 3.5Å; D413-K415 WeakPolarHBondContact OD2-CB 3.3Å; D413-Q416 HydrophobicContact CB-CG 4.28Å; D413-Q416 WeakPolarHBondContact O-CB 3.3Å; D413-Q416 PolarHBondContact O-N 2.69Å; D413-L417 PolarHBondContact O-N 2.95Å
414	N	46.6	Very low	47.1	Very low	82 Å²	82	93.4 Å²	93.4	44%	0.439	49%	0.491	S	S	.	.	H	α-helix	trans	-48.8	-33	173.3	-73.6	-28.1	0	0	0	111.7	W418	N414-W418 WeakPolarHBondContact O-CB 3.25Å; N414-W418 PolarHBondContact O-N 3.12Å
415	K	51.5	Low	47	Very low	134 Å²	134	89 Å²	89	58%	0.583	46%	0.462	S	S	*	.	H	α-helix	trans	-65.9	-41.8	175.5	-167.5	179.4	176.6	-174.5	0	113.1	D413 W418 D419	D413-K415 PolarHBondContact O-N 3.06Å; D413-K415 PolarHBondContact OD1-N 3.5Å; D413-K415 WeakPolarHBondContact OD2-CB 3.3Å; K415-W418 WeakPolarHBondContact O-CB 3.37Å; K415-W418 PolarHBondContact O-N 2.81Å; K415-D419 WeakPolarHBondContact O-CB 3.23Å; K415-D419 VanDerWaalsContact O-CG 3.25Å; K415-D419 PolarHBondContact O-N 3.34Å
416	Q	54.2	Low	47.3	Very low	84 Å²	84	87.8 Å²	87.8	39%	0.393	47%	0.467	S	S	.	.	H	α-helix	trans	-66.1	-41.1	178.3	-72	-179.8	-15.2	0	0	111.7	I412 D413 W418 D419 A420	I412-Q416 HydrophobicContact CG2-CB 4.24Å; D413-Q416 HydrophobicContact CB-CG 4.28Å; D413-Q416 WeakPolarHBondContact O-CB 3.3Å; D413-Q416 PolarHBondContact O-N 2.69Å; Q416-W418 VanDerWaalsContact C-N 3.31Å; Q416-W418 PolarHBondContact O-N 2.7Å; Q416-D419 PolarHBondContact O-N 2.84Å; Q416-A420 WeakPolarHBondContact O-CB 3.21Å; Q416-A420 PolarHBondContact O-N 3.37Å
417	L	52	Low	47.5	Very low	30 Å²	30	89.5 Å²	89.5	16%	0.157	47%	0.467	C	S	.	.	H	α-helix	trans	-62.8	-39.2	173.7	-113.2	158.4	0	0	0	111.4	I412 D413 F421	I412-L417 HydrophobicContact CB-CD1 4.31Å; I412-L417 HydrophobicContact CG2-CB 4.12Å; I412-L417 HydrophobicContact CG2-CD1 3.66Å; I412-L417 HydrophobicContact CG2-CG 3.76Å; D413-L417 PolarHBondContact O-N 2.95Å; L417-F421 VanDerWaalsContact O-CB 3.28Å; L417-F421 WeakPolarHBondContact O-CB 3.41Å; L417-F421 PolarHBondContact O-N 2.93Å
418	W	51.6	Low	47.7	Very low	88 Å²	88	86.2 Å²	86.2	33%	0.333	45%	0.454	S	S	.	.	H	α-helix	trans	-67.9	-41.7	175.5	-177.8	-115	0	0	0	113	N414 K415 Q416 F421 N422 W510	N414-W418 WeakPolarHBondContact O-CB 3.25Å; N414-W418 PolarHBondContact O-N 3.12Å; K415-W418 WeakPolarHBondContact O-CB 3.37Å; K415-W418 PolarHBondContact O-N 2.81Å; Q416-W418 VanDerWaalsContact C-N 3.31Å; Q416-W418 PolarHBondContact O-N 2.7Å; W418-F421 HydrophobicContact CE3-CB 4.47Å; W418-F421 AromaticContact CE3-CD1 3.72Å; W418-F421 HydrophobicContact CE3-CD1 3.72Å; W418-F421 HydrophobicContact CE3-CE1 4.41Å; W418-F421 HydrophobicContact CE3-CG 4.39Å; W418-F421 HydrophobicContact CH2-CD1 4.23Å; W418-F421 HydrophobicContact CH2-CE1 4.23Å; W418-F421 AromaticContact CZ3-CD1 3.36Å; W418-F421 HydrophobicContact CZ3-CD1 3.36Å; W418-F421 AromaticContact CZ3-CE1 3.61Å; W418-F421 HydrophobicContact CZ3-CE1 3.61Å; W418-F421 HydrophobicContact CZ3-CG 4.35Å; W418-F421 PolarHBondContact O-N 3.15Å; W418-N422 PolarHBondContact NE1-ND2 2.79Å; W418-N422 WeakPolarHBondContact O-CB 3.47Å; W418-N422 PolarHBondContact O-N 3.37Å; W418-N422 PolarHBondContact O-ND2 2.97Å; W418-W510 HydrophobicContact CD2-CH2 4.13Å; W418-W510 HydrophobicContact CD2-CZ3 4.14Å; W418-W510 HydrophobicContact CE3-CE3 4.42Å; W418-W510 AromaticContact CE3-CH2 3.14Å; W418-W510 HydrophobicContact CE3-CH2 3.14Å; W418-W510 AromaticContact CE3-CZ2 3.58Å; W418-W510 HydrophobicContact CE3-CZ2 3.58Å; W418-W510 AromaticContact CE3-CZ3 3.55Å; W418-W510 HydrophobicContact CE3-CZ3 3.55Å; W418-W510 AromaticContact CH2-CH2 3.68Å; W418-W510 HydrophobicContact CH2-CH2 3.68Å; W418-W510 AromaticContact CH2-CZ3 3.6Å; W418-W510 HydrophobicContact CH2-CZ3 3.6Å; W418-W510 HydrophobicContact CZ2-CZ3 4.16Å; W418-W510 AromaticContact CZ3-CH2 2.91Å; W418-W510 HydrophobicContact CZ3-CH2 2.91Å; W418-W510 AromaticContact CZ3-CZ2 3.8Å; W418-W510 HydrophobicContact CZ3-CZ2 3.8Å; W418-W510 AromaticContact CZ3-CZ3 3.32Å; W418-W510 HydrophobicContact CZ3-CZ3 3.32Å
419	D	54.7	Low	47.5	Very low	76 Å²	76	91.5 Å²	91.5	41%	0.406	47%	0.471	S	S	.	.	H	α-helix	trans	-66.3	-41	176.7	-70.1	-19.1	0	0	0	110.3	K415 Q416 N422 T423	K415-D419 WeakPolarHBondContact O-CB 3.23Å; K415-D419 VanDerWaalsContact O-CG 3.25Å; K415-D419 PolarHBondContact O-N 3.34Å; Q416-D419 PolarHBondContact O-N 2.84Å; D419-N422 PolarHBondContact O-N 2.96Å; D419-T423 WeakPolarHBondContact O-CB 3.32Å; D419-T423 PolarHBondContact O-N 3.22Å; D419-T423 PolarHBondContact O-OG1 3.39Å
420	A	54.2	Low	47.2	Very low	15 Å²	15	92.3 Å²	92.3	12%	0.124	47%	0.466	C	S	.	.	H	α-helix	trans	-63.1	-43.9	172.8	0	0	0	0	0	112.2	T397 F401 Q416 T423 S424	T397-A420 HydrophobicContact CG2-CB 4.27Å; F401-A420 HydrophobicContact CD2-CB 4.16Å; F401-A420 HydrophobicContact CE2-CB 3.44Å; F401-A420 VanDerWaalsContact CE2-CB 3.44Å; F401-A420 HydrophobicContact CZ-CB 4.02Å; Q416-A420 WeakPolarHBondContact O-CB 3.21Å; Q416-A420 PolarHBondContact O-N 3.37Å; A420-T423 PolarHBondContact O-N 2.86Å; A420-S424 WeakPolarHBondContact O-CB 3.28Å; A420-S424 PolarHBondContact O-N 3.21Å
421	F	49.7	Very low	46.8	Very low	9 Å²	9	89 Å²	89	4%	0.039	46%	0.458	C	S	.	.	H	α-helix	trans	-58.8	-52.1	174.6	174.8	-96	0	0	0	110.8	I390 I394 L417 W418 T423 S424 Y425 I431	I390-F421 HydrophobicContact CG2-CE2 4.2Å; I390-F421 HydrophobicContact CG2-CZ 4.13Å; I394-F421 HydrophobicContact CD1-CD2 4.41Å; I394-F421 HydrophobicContact CD1-CE2 4.28Å; I394-F421 HydrophobicContact CG1-CD2 3.61Å; I394-F421 HydrophobicContact CG1-CE2 3.72Å; L417-F421 VanDerWaalsContact O-CB 3.28Å; L417-F421 WeakPolarHBondContact O-CB 3.41Å; L417-F421 PolarHBondContact O-N 2.93Å; W418-F421 HydrophobicContact CE3-CB 4.47Å; W418-F421 AromaticContact CE3-CD1 3.72Å; W418-F421 HydrophobicContact CE3-CD1 3.72Å; W418-F421 HydrophobicContact CE3-CE1 4.41Å; W418-F421 HydrophobicContact CE3-CG 4.39Å; W418-F421 HydrophobicContact CH2-CD1 4.23Å; W418-F421 HydrophobicContact CH2-CE1 4.23Å; W418-F421 AromaticContact CZ3-CD1 3.36Å; W418-F421 HydrophobicContact CZ3-CD1 3.36Å; W418-F421 AromaticContact CZ3-CE1 3.61Å; W418-F421 HydrophobicContact CZ3-CE1 3.61Å; W418-F421 HydrophobicContact CZ3-CG 4.35Å; W418-F421 PolarHBondContact O-N 3.15Å; F421-T423 VanDerWaalsContact C-N 3.31Å; F421-T423 PolarHBondContact O-N 3.5Å; F421-S424 PolarHBondContact O-N 2.84Å; F421-Y425 HydrophobicContact CD2-CD2 4.16Å; F421-Y425 AromaticContact CE2-CD2 3.54Å; F421-Y425 HydrophobicContact CE2-CD2 3.54Å; F421-Y425 AromaticContact CE2-CE2 3.74Å; F421-Y425 HydrophobicContact CE2-CE2 3.74Å; F421-Y425 HydrophobicContact CE2-CG 4.34Å; F421-Y425 AromaticContact CZ-CD2 3.74Å; F421-Y425 HydrophobicContact CZ-CD2 3.74Å; F421-Y425 HydrophobicContact CZ-CE2 4.03Å; F421-Y425 HydrophobicContact CZ-CG 4.11Å; F421-Y425 WeakPolarHBondContact O-CB 3.41Å; F421-Y425 PolarHBondContact O-N 3.3Å; F421-I431 HydrophobicContact CE1-CD1 4.16Å; F421-I431 HydrophobicContact CZ-CD1 4.37Å
422	N	53.2	Low	46.1	Very low	63 Å²	63	90.8 Å²	90.8	34%	0.337	46%	0.46	S	S	.	.	H	α-helix	trans	-61.9	-38.3	178.4	-82.2	-41.7	0	0	0	112.4	W418 D419 S424 Y425 A426	W418-N422 PolarHBondContact NE1-ND2 2.79Å; W418-N422 WeakPolarHBondContact O-CB 3.47Å; W418-N422 PolarHBondContact O-N 3.37Å; W418-N422 PolarHBondContact O-ND2 2.97Å; D419-N422 PolarHBondContact O-N 2.96Å; N422-S424 VanDerWaalsContact C-N 3.32Å; N422-S424 PolarHBondContact O-N 3.46Å; N422-Y425 PolarHBondContact O-N 2.97Å; N422-A426 WeakPolarHBondContact O-CB 3.44Å; N422-A426 PolarHBondContact O-N 2.84Å
423	T	56.6	Low	45.1	Very low	110 Å²	110	98.3 Å²	98.3	68%	0.675	49%	0.485	S	S	*	.	H	α-helix	trans	-66.6	-37.7	178.5	-52.2	0	0	0	0	111.3	D419 A420 F421	D419-T423 WeakPolarHBondContact O-CB 3.32Å; D419-T423 PolarHBondContact O-N 3.22Å; D419-T423 PolarHBondContact O-OG1 3.39Å; A420-T423 PolarHBondContact O-N 2.86Å; F421-T423 VanDerWaalsContact C-N 3.31Å; F421-T423 PolarHBondContact O-N 3.5Å
424	S	52.9	Low	44	Very low	50 Å²	50	99.4 Å²	99.4	35%	0.35	50%	0.497	S	S	.	.	H	α-helix	trans	-74.8	-36.6	177.7	-161.1	0	0	0	0	112.3	H393 A420 F421 N422	H393-S424 PolarHBondContact CE1-OG 2.84Å; A420-S424 WeakPolarHBondContact O-CB 3.28Å; A420-S424 PolarHBondContact O-N 3.21Å; F421-S424 PolarHBondContact O-N 2.84Å; N422-S424 VanDerWaalsContact C-N 3.32Å; N422-S424 PolarHBondContact O-N 3.46Å
425	Y	47.8	Very low	42.9	Very low	15 Å²	15	99 Å²	99	6%	0.059	50%	0.5	C	S	.	.	H	α-helix	trans	-88.9	-14.5	-177.8	-116.5	-89.2	0	0	0	115.5	H389 H393 F421 N422 N427 Q428	H389-Y425 PolarHBondContact CE1-OH 2.96Å; H389-Y425 AromaticContact ND1-CZ 3.89Å; H389-Y425 PolarHBondContact ND1-OH 3.44Å; H393-Y425 HydrophobicContact CB-CD2 4.45Å; H393-Y425 HydrophobicContact CB-CE2 3.58Å; H393-Y425 AromaticContact CD2-CE2 3.52Å; H393-Y425 AromaticContact CG-CD2 3.93Å; H393-Y425 AromaticContact CG-CE2 3.33Å; H393-Y425 AromaticContact ND1-CD2 3.83Å; H393-Y425 AromaticContact ND1-CE2 3.72Å; F421-Y425 HydrophobicContact CD2-CD2 4.16Å; F421-Y425 AromaticContact CE2-CD2 3.54Å; F421-Y425 HydrophobicContact CE2-CD2 3.54Å; F421-Y425 AromaticContact CE2-CE2 3.74Å; F421-Y425 HydrophobicContact CE2-CE2 3.74Å; F421-Y425 HydrophobicContact CE2-CG 4.34Å; F421-Y425 AromaticContact CZ-CD2 3.74Å; F421-Y425 HydrophobicContact CZ-CD2 3.74Å; F421-Y425 HydrophobicContact CZ-CE2 4.03Å; F421-Y425 HydrophobicContact CZ-CG 4.11Å; F421-Y425 WeakPolarHBondContact O-CB 3.41Å; F421-Y425 PolarHBondContact O-N 3.3Å; N422-Y425 PolarHBondContact O-N 2.97Å; Y425-N427 PolarHBondContact O-N 2.99Å; Y425-Q428 HydrophobicContact CD1-CB 4.24Å; Y425-Q428 HydrophobicContact CE1-CB 4.38Å; Y425-Q428 PolarHBondContact O-N 3.4Å
426	A	46.5	Very low	41.6	Very low	80 Å²	80	99.3 Å²	99.3	66%	0.661	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-14.6	-178.2	0	0	0	0	0	114.1	N422	N422-A426 WeakPolarHBondContact O-CB 3.44Å; N422-A426 PolarHBondContact O-N 2.84Å
427	N	45.9	Very low	40.3	Very low	152 Å²	152	102.1 Å²	102.1	81%	0.813	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-2.6	176.9	-69.1	-27.3	0	0	0	114.7	Y425	Y425-N427 PolarHBondContact O-N 2.99Å
428	Q	39.4	Very low	39.1	Very low	111 Å²	111	104.5 Å²	104.5	52%	0.519	53%	0.534	S	S	.	.	S	Bend	trans	-120.3	148.8	175.5	-68.3	-170	-13.1	0	0	110.4	Y425	Y425-Q428 HydrophobicContact CD1-CB 4.24Å; Y425-Q428 HydrophobicContact CE1-CB 4.38Å; Y425-Q428 PolarHBondContact O-N 3.4Å
429	E	32	Very low	37.8	Very low	183 Å²	183	105 Å²	105	86%	0.855	54%	0.542	S	S	*	.			trans	-40.9	141.7	-161.3	-66.8	175.5	143.6	0	0	115.7	I431	E429-I431 PolarHBondContact O-N 3.11Å
430	K	28.7	Very low	36.4	Very low	192 Å²	192	106.6 Å²	106.6	84%	0.835	55%	0.551	S	S	*	*			trans	-39	111.4	178	-76.8	176	176.1	174.8	0	111.1	F432	K430-F432 PolarHBondContact O-N 3.28Å
431	I	29.7	Very low	35	Very low	91 Å²	91	112.5 Å²	112.5	47%	0.467	58%	0.579	S	S	.	*			trans	-57	110	161.2	-61.4	174.9	0	0	0	106.4	F421 E429 R433	F421-I431 HydrophobicContact CE1-CD1 4.16Å; F421-I431 HydrophobicContact CZ-CD1 4.37Å; E429-I431 PolarHBondContact O-N 3.11Å; I431-R433 PolarHBondContact O-N 3.19Å
432	F	26.8	Very low	33.9	Very low	195 Å²	195	118.7 Å²	118.7	86%	0.855	60%	0.603	S	S	*	*			trans	-62.1	104.9	174.2	-97.8	-90.9	0	0	0	108	K430 P434	K430-F432 PolarHBondContact O-N 3.28Å; F432-P434 VanDerWaalsContact O-CD 3.27Å; F432-P434 WeakPolarHBondContact O-CD 3.3Å
433	R	25	Very low	32.6	Very low	218 Å²	218	123.7 Å²	123.7	82%	0.823	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-60.7	119.9	157.8	-85.7	-173.1	175.2	-165.1	-2.8	107.2	I431 S435	I431-R433 PolarHBondContact O-N 3.19Å; R433-S435 PolarHBondContact O-N 3.24Å
434	P	24.4	Very low	31.1	Very low	110 Å²	110	124.3 Å²	124.3	71%	0.714	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-57.6	126	161	-16.3	30.5	0	0	0	107.4	F432	F432-P434 VanDerWaalsContact O-CD 3.27Å; F432-P434 WeakPolarHBondContact O-CD 3.3Å
435	S	24.5	Very low	29.8	Very low	72 Å²	72	128 Å²	128	50%	0.503	64%	0.638	S	S	.	*	P	Polyproline II helix	trans	-63.6	139.1	-175.4	87.1	0	0	0	0	111.2	R433 N437 D438	R433-S435 PolarHBondContact O-N 3.24Å; S435-N437 PolarHBondContact O-N 3.15Å; S435-D438 PolarHBondContact OG-OD2 3.4Å
436	H	24.3	Very low	28.9	Very low	141 Å²	141	133.3 Å²	133.3	65%	0.653	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-7.4	-175.9	-92.7	-14	0	0	0	116.5	E516	H436-E516 IonicContact CE1-OE2 2.87Å; H436-E516 PolarHBondContact CE1-OE2 2.87Å; H436-E516 VanDerWaalsContact CE1-OE2 3.31Å
437	N	26.1	Very low	28	Very low	143 Å²	143	136.8 Å²	136.8	77%	0.765	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-3.8	-170.6	-82.1	-10.7	0	0	0	115.7	S435	S435-N437 PolarHBondContact O-N 3.15Å
438	D	26.6	Very low	27.3	Very low	81 Å²	81	137.4 Å²	137.4	43%	0.433	68%	0.675	S	S	.	*	S	Bend	trans	-111.6	21.6	-170.5	-55.1	-42	0	0	0	115.4	K312 S435	K312-D438 PolarHBondContact NZ-O 2.86Å; S435-D438 PolarHBondContact OG-OD2 3.4Å
439	I	25	Very low	26.8	Very low	97 Å²	97	139.3 Å²	139.3	50%	0.497	69%	0.689	S	S	.	*	S	Bend	trans	-130.4	-1.6	-179.7	-61.4	179.8	0	0	0	113.7	K312	K312-I439 HydrophobicContact CD-CD1 4.44Å; K312-I439 HydrophobicContact CD-CG1 4.26Å
440	N	24	Very low	26.8	Very low	111 Å²	111	138.2 Å²	138.2	59%	0.594	69%	0.689	S	S	*	*			trans	-90.9	144.5	174.1	-72.4	-41.4	0	0	0	111.3
441	I	25.6	Very low	26.8	Very low	138 Å²	138	132.1 Å²	132.1	71%	0.708	68%	0.68	S	S	*	*			trans	99.3	134.9	-175.1	-50.3	166.4	0	0	0	112
442	Y	26.2	Very low	26.8	Very low	140 Å²	140	135.1 Å²	135.1	55%	0.549	70%	0.698	S	S	.	*			trans	102	73.2	175.9	-47.2	-67	0	0	0	116.3	G335 H337	G335-Y442 PolarHBondContact O-OH 3.22Å; G335-Y442 VanDerWaalsContact O-OH 3.08Å; H337-Y442 AromaticContact CD2-CD2 3.45Å; H337-Y442 VanDerWaalsContact CD2-CD2 3.45Å; H337-Y442 WeakPolarHBondContact CD2-CD2 3.45Å; H337-Y442 AromaticContact CD2-CE2 3.68Å; H337-Y442 AromaticContact CD2-CG 3.86Å; H337-Y442 AromaticContact NE2-CD2 3.13Å; H337-Y442 WeakPolarHBondContact NE2-CD2 3.42Å; H337-Y442 AromaticContact NE2-CE2 3.38Å; H337-Y442 WeakPolarHBondContact NE2-CE2 3.49Å; H337-Y442 AromaticContact NE2-CG 3.96Å
443	H	25.7	Very low	27	Very low	168 Å²	168	132.2 Å²	132.2	78%	0.778	70%	0.696	S	S	*	*			trans	-57	123.5	139.2	-80.9	-95	0	0	0	108.9
444	L	25.9	Very low	27.4	Very low	123 Å²	123	128.2 Å²	128.2	64%	0.644	69%	0.691	S	S	*	*			trans	-100.6	95.4	154.8	-78.5	168.8	0	0	0	105.5	D446	L444-D446 PolarHBondContact O-N 2.97Å
445	D	25.2	Very low	27.7	Very low	127 Å²	127	129.6 Å²	129.6	68%	0.679	69%	0.692	S	S	*	*			trans	-72.5	108.3	156.9	-61.4	-41	0	0	0	106.1	D447	D445-D447 PolarHBondContact O-N 2.93Å
446	D	29.3	Very low	28.2	Very low	127 Å²	127	132.6 Å²	132.6	68%	0.679	70%	0.702	S	S	*	*			trans	-93.2	69.9	158.8	-79.5	-34.2	0	0	0	106.8	L444 M448	L444-D446 PolarHBondContact O-N 2.97Å; D446-M448 VanDerWaalsContact C-N 3.34Å; D446-M448 PolarHBondContact O-N 3.35Å
447	D	28.1	Very low	28.5	Very low	152 Å²	152	132.3 Å²	132.3	81%	0.813	71%	0.705	S	S	*	*			trans	-78.2	92.7	146.4	-94.1	-27.4	0	0	0	106.6	D445	D445-D447 PolarHBondContact O-N 2.93Å
448	M	30.4	Very low	28.7	Very low	166 Å²	166	131.8 Å²	131.8	82%	0.818	70%	0.703	S	S	*	*			trans	-125.8	73	158.4	-82.2	-80	-174.2	0	0	107.2	D446	D446-M448 VanDerWaalsContact C-N 3.34Å; D446-M448 PolarHBondContact O-N 3.35Å
449	N	29	Very low	28.9	Very low	151 Å²	151	136 Å²	136	81%	0.807	72%	0.72	S	S	*	*			trans	-72.3	123.4	144.6	-126.2	0.1	0	0	0	106.4
450	N	32.2	Very low	29.1	Very low	159 Å²	159	138.5 Å²	138.5	85%	0.85	73%	0.73	S	S	*	*			trans	150.9	119.7	162.7	-80.9	-20.1	0	0	0	106.3
451	G	27.8	Very low	29.3	Very low	64 Å²	64	139.1 Å²	139.1	66%	0.66	73%	0.732	S	S	*	*			cis	175.9	142	4	0	0	0	0	0	104.6
452	D	30.3	Very low	29.5	Very low	155 Å²	155	139.1 Å²	139.1	83%	0.829	73%	0.731	S	S	*	*			trans	-145.6	77.1	149.1	-118.5	-10.1	0	0	0	104.9
453	V	31.1	Very low	29.5	Very low	134 Å²	134	141.1 Å²	141.1	81%	0.812	75%	0.746	S	S	*	*			trans	-82.1	114	159.1	175.6	0	0	0	0	104.8
454	N	34.1	Very low	29.6	Very low	134 Å²	134	136.4 Å²	136.4	72%	0.717	74%	0.736	S	S	*	*			trans	-84.9	130.8	159.2	-73.7	-58.4	0	0	0	107.9
455	D	30.4	Very low	29.9	Very low	139 Å²	139	138.3 Å²	138.3	74%	0.743	74%	0.741	S	S	*	*			trans	52.8	102.8	155.6	-72.6	-18.9	0	0	0	118
456	D	34.3	Very low	29.9	Very low	135 Å²	135	141.4 Å²	141.4	72%	0.722	75%	0.745	S	S	*	*				169.9	112.4	98	-86.2	-34.5	0	0	0	111.2
457	N	30.9	Very low	29.8	Very low	134 Å²	134	141.8 Å²	141.8	72%	0.717	75%	0.747	S	S	*	*			trans	40.8	134.8	141.4	-66	-30.2	0	0	0	123.3
458	D	31.4	Very low	29.7	Very low	133 Å²	133	142.1 Å²	142.1	71%	0.711	75%	0.749	S	S	*	*			trans	101.8	111	143.6	-56.5	-26.4	0	0	0	119.3
459	E	30.5	Very low	29.5	Very low	168 Å²	168	139.7 Å²	139.7	79%	0.785	74%	0.743	S	S	*	*			trans	65.9	136.2	134.8	-67.5	-178.5	166.9	0	0	117.6
460	E	29.7	Very low	29.3	Very low	151 Å²	151	141.9 Å²	141.9	71%	0.706	75%	0.748	S	S	*	*			cis	-176	156.6	3	-128.6	-169.1	149	0	0	104.9
461	I	27.5	Very low	29	Very low	124 Å²	124	138.6 Å²	138.6	64%	0.636	74%	0.737	S	S	*	*			trans	92.5	116.9	133.8	-79.9	175.6	0	0	0	121.6
462	I	28.7	Very low	28.9	Very low	137 Å²	137	145.6 Å²	145.6	70%	0.703	75%	0.745	S	S	*	*			trans	88.3	97	153.3	-35.3	-168	0	0	0	117.4
463	E	27.2	Very low	28.6	Very low	182 Å²	182	150 Å²	150	85%	0.85	75%	0.751	S	S	*	*				57.3	137.7	84.9	-80.3	-174	155.2	0	0	113.2
464	A	28.6	Very low	28.3	Very low	70 Å²	70	153 Å²	153	58%	0.579	75%	0.752	S	S	*	*			cis	-174.9	150.7	1.1	0	0	0	0	0	105.4
465	H	30.2	Very low	27.9	Very low	162 Å²	162	151.8 Å²	151.8	75%	0.75	75%	0.753	S	S	*	*				160.5	115.9	126.8	-90.5	49.6	0	0	0	113.7
466	Y	27.2	Very low	27.7	Very low	192 Å²	192	152.8 Å²	152.8	75%	0.753	76%	0.759	S	S	*	*			trans	89.7	84.9	140.8	-81.3	-105.4	0	0	0	121.6
467	D	25.7	Very low	27.3	Very low	136 Å²	136	155 Å²	155	73%	0.727	76%	0.764	S	S	*	*				26.1	114.5	117.8	-64.6	-25.2	0	0	0	120.2
468	N	26.4	Very low	27.2	Very low	159 Å²	159	155 Å²	155	85%	0.85	76%	0.758	S	S	*	*				175.6	153.1	105.9	-98	-61	0	0	0	112.4
469	V	26	Very low	27.2	Very low	114 Å²	114	154.2 Å²	154.2	69%	0.691	76%	0.763	S	S	*	*			trans	97.8	66.9	170.4	-158.8	0	0	0	0	115.9
470	H	25.5	Very low	27.4	Very low	198 Å²	198	148.8 Å²	148.8	92%	0.917	74%	0.742	S	S	*	*			trans	-70.8	120.1	142.9	-113.2	-44.3	0	0	0	110
471	S	25.9	Very low	27.9	Very low	90 Å²	90	146.8 Å²	146.8	63%	0.629	74%	0.735	S	S	*	*			trans	170.4	147.7	146.8	46.8	0	0	0	0	108.6
472	Y	24.9	Very low	28.2	Very low	211 Å²	211	149.5 Å²	149.5	83%	0.827	74%	0.743	S	S	*	*			trans	90.1	53.5	-171.1	-69.5	-90.2	0	0	0	117.3
473	R	24.2	Very low	28.5	Very low	248 Å²	248	149.1 Å²	149.1	94%	0.936	74%	0.739	S	S	*	*			trans	-102.7	100.3	137	-89	-177.3	174.2	166.1	-1.3	107.6
474	K	25.7	Very low	29.7	Very low	195 Å²	195	142.5 Å²	142.5	85%	0.848	71%	0.71	S	S	*	*			trans	161.9	88.9	157.8	-96.8	175	178.7	-177.5	0	109.8
475	C	24.8	Very low	30.7	Very low	109 Å²	109	143.6 Å²	143.6	74%	0.736	70%	0.702	S	S	*	*			trans	-156.5	64.1	155.6	-105.3	0	0	0	0	108.9
476	N	25.7	Very low	31.7	Very low	161 Å²	161	144.4 Å²	144.4	86%	0.861	70%	0.703	S	S	*	*			trans	-91.8	87.4	163	-86.9	-12.3	0	0	0	107.8
477	H	27.5	Very low	32.8	Very low	181 Å²	181	140 Å²	140	84%	0.838	69%	0.685	S	S	*	*			trans	176.9	95.5	157.1	-105.7	49.6	0	0	0	108.1
478	F	27.3	Very low	33.9	Very low	133 Å²	133	135.7 Å²	135.7	58%	0.583	66%	0.662	S	S	*	*			trans	-137.6	93.9	170.2	-109.2	-97.9	0	0	0	108.3	K369 V480	K369-F478 HydrophobicContact CD-CE1 4.11Å; K369-F478 VanDerWaalsContact CE-CZ 3.41Å; F478-V480 PolarHBondContact O-N 2.9Å
479	S	31.4	Very low	35	Very low	118 Å²	118	130.7 Å²	130.7	83%	0.825	64%	0.639	S	S	*	*			trans	-88.2	101.3	172.1	179.7	0	0	0	0	108.2	D481	S479-D481 PolarHBondContact O-N 3.25Å
480	V	35.3	Very low	36.5	Very low	54 Å²	54	131.2 Å²	131.2	33%	0.327	63%	0.632	S	S	.	*			trans	-67.7	118.7	168.5	-179	0	0	0	0	107.8	F478 D484 K485	F478-V480 PolarHBondContact O-N 2.9Å; V480-D484 HydrophobicContact CG1-CB 3.83Å; V480-K485 HydrophobicContact CB-CG 4.38Å; V480-K485 HydrophobicContact CG1-CG 3.85Å; V480-K485 WeakPolarHBondContact O-CE 3.49Å
481	D	39.4	Very low	37.7	Very low	108 Å²	108	123.2 Å²	123.2	58%	0.578	60%	0.596	S	S	*	*			trans	-58.7	143.9	-176	-149.7	-7.7	0	0	0	110.8	S479 M483 D484 K485	S479-D481 PolarHBondContact O-N 3.25Å; D481-M483 PolarHBondContact O-N 3.35Å; D481-D484 PolarHBondContact O-N 2.91Å; D481-K485 PolarHBondContact O-N 3.28Å
482	K	34.8	Very low	39	Very low	182 Å²	182	121.5 Å²	121.5	79%	0.791	58%	0.576	S	S	*	*	H	α-helix	trans	-56.6	-28.8	-174	-111.1	179.3	-179.2	174.7	0	112.2
483	M	34.5	Very low	40.4	Very low	128 Å²	128	119.5 Å²	119.5	63%	0.631	57%	0.567	S	S	*	*	H	α-helix	trans	-72.7	-36.8	-179.8	-149.7	174.4	57	0	0	112.2	D481 R487	D481-M483 PolarHBondContact O-N 3.35Å; M483-R487 PolarHBondContact O-N 2.89Å
484	D	52.8	Low	41.9	Very low	43 Å²	43	110.8 Å²	110.8	23%	0.23	54%	0.536	C	S	.	.	H	α-helix	trans	-69.3	-38.9	175.4	-87.6	-16.5	0	0	0	111.8	V480 D481 K486 R487 I488	V480-D484 HydrophobicContact CG1-CB 3.83Å; D481-D484 PolarHBondContact O-N 2.91Å; D484-K486 VanDerWaalsContact C-N 3.31Å; D484-K486 PolarHBondContact O-N 3.11Å; D484-R487 PolarHBondContact O-N 3.44Å; D484-I488 HydrophobicContact CB-CD1 4.5Å; D484-I488 WeakPolarHBondContact O-CB 3.44Å; D484-I488 VanDerWaalsContact O-CG1 3.26Å; D484-I488 WeakPolarHBondContact O-CG1 3.45Å; D484-I488 PolarHBondContact O-N 3.45Å
485	K	48.9	Very low	43.1	Very low	94 Å²	94	102.4 Å²	102.4	41%	0.409	50%	0.501	S	S	.	.	H	α-helix	trans	-58.3	-42.1	176.6	-67.2	-172.6	-179.5	-176.9	0	112.6	V480 D481 S489	V480-K485 HydrophobicContact CB-CG 4.38Å; V480-K485 HydrophobicContact CG1-CG 3.85Å; V480-K485 WeakPolarHBondContact O-CE 3.49Å; D481-K485 PolarHBondContact O-N 3.28Å; K485-S489 WeakPolarHBondContact O-CB 3.29Å; K485-S489 PolarHBondContact O-N 3.46Å
486	K	51.1	Low	44.5	Very low	178 Å²	178	101.7 Å²	101.7	77%	0.774	49%	0.487	S	S	*	.	H	α-helix	trans	-66.7	-40.7	177.6	-114.6	-176.8	-178.7	179.8	0	111.9	D484 K490	D484-K486 VanDerWaalsContact C-N 3.31Å; D484-K486 PolarHBondContact O-N 3.11Å; K486-K490 PolarHBondContact O-N 2.91Å; K486-K490 VanDerWaalsContact O-N 3.12Å
487	R	50.5	Low	45.9	Very low	101 Å²	101	96.1 Å²	96.1	38%	0.381	46%	0.457	S	S	.	.	H	α-helix	trans	-65.3	-50.1	177.7	-78.4	170.1	165.8	-123.6	2.1	111.3	E377 M483 D484 S489 K490 I491	E377-R487 VanDerWaalsContact CD-NH1 3.32Å; E377-R487 WeakPolarHBondContact OE1-CD 3.35Å; E377-R487 IonicContact OE1-CZ 3.81Å; E377-R487 IonicContact OE1-NH1 2.92Å; E377-R487 PolarHBondContact OE1-NH1 2.94Å; E377-R487 IonicContact OE2-NH1 2.88Å; E377-R487 PolarHBondContact OE2-NH1 3.1Å; M483-R487 PolarHBondContact O-N 2.89Å; D484-R487 PolarHBondContact O-N 3.44Å; R487-S489 VanDerWaalsContact C-N 3.34Å; R487-S489 PolarHBondContact O-N 3.45Å; R487-K490 WeakPolarHBondContact O-CB 3.4Å; R487-K490 PolarHBondContact O-N 3.03Å; R487-I491 WeakPolarHBondContact O-CG1 3.45Å; R487-I491 PolarHBondContact O-N 3.38Å
488	I	49.2	Very low	47.2	Very low	45 Å²	45	88 Å²	88	23%	0.231	42%	0.419	C	S	.	.	H	α-helix	trans	-57.5	-45.8	176.4	-70.2	170.4	0	0	0	111	D484 K490 I491 Y492	D484-I488 HydrophobicContact CB-CD1 4.5Å; D484-I488 WeakPolarHBondContact O-CB 3.44Å; D484-I488 VanDerWaalsContact O-CG1 3.26Å; D484-I488 WeakPolarHBondContact O-CG1 3.45Å; D484-I488 PolarHBondContact O-N 3.45Å; I488-K490 VanDerWaalsContact C-N 3.3Å; I488-K490 PolarHBondContact O-N 2.8Å; I488-I491 PolarHBondContact O-N 3.31Å; I488-Y492 HydrophobicContact CG2-CD2 3.52Å; I488-Y492 HydrophobicContact CG2-CE2 3.18Å; I488-Y492 WeakPolarHBondContact O-CD2 3.34Å; I488-Y492 PolarHBondContact O-N 2.73Å
489	S	50.5	Low	48.4	Very low	54 Å²	54	84.5 Å²	84.5	38%	0.378	40%	0.402	S	S	.	.	H	α-helix	trans	-60.6	-36	176	-175.8	0	0	0	0	113.1	K485 R487 R493	K485-S489 WeakPolarHBondContact O-CB 3.29Å; K485-S489 PolarHBondContact O-N 3.46Å; R487-S489 VanDerWaalsContact C-N 3.34Å; R487-S489 PolarHBondContact O-N 3.45Å; S489-R493 WeakPolarHBondContact O-CB 3.19Å; S489-R493 PolarHBondContact O-N 2.89Å
490	K	56.8	Low	49.3	Very low	124 Å²	124	80.4 Å²	80.4	54%	0.539	37%	0.373	S	S	.	.	H	α-helix	trans	-65.2	-45.2	175.2	-173.4	-171.1	174.6	-162.8	0	111.1	K486 R487 I488 R493 Q494	K486-K490 PolarHBondContact O-N 2.91Å; K486-K490 VanDerWaalsContact O-N 3.12Å; R487-K490 WeakPolarHBondContact O-CB 3.4Å; R487-K490 PolarHBondContact O-N 3.03Å; I488-K490 VanDerWaalsContact C-N 3.3Å; I488-K490 PolarHBondContact O-N 2.8Å; K490-R493 PolarHBondContact O-N 3.39Å; K490-Q494 PolarHBondContact O-N 3.37Å
491	I	49.8	Very low	50.2	Low	30 Å²	30	81 Å²	81	15%	0.154	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-48.4	177.2	-64.2	169.2	0	0	0	110.2	E377 I380 R487 I488 R493 Q494 L495	E377-I491 HydrophobicContact CG-CD1 3.81Å; I380-I491 HydrophobicContact CD1-CG2 3.72Å; I380-I491 HydrophobicContact CG2-CG2 3.92Å; R487-I491 WeakPolarHBondContact O-CG1 3.45Å; R487-I491 PolarHBondContact O-N 3.38Å; I488-I491 PolarHBondContact O-N 3.31Å; I491-R493 VanDerWaalsContact C-N 3.26Å; I491-R493 PolarHBondContact O-N 3.17Å; I491-Q494 WeakPolarHBondContact O-CB 3.48Å; I491-Q494 PolarHBondContact O-N 2.96Å; I491-Q494 VanDerWaalsContact O-N 3.08Å; I491-L495 HydrophobicContact CG2-CD1 4.5Å; I491-L495 PolarHBondContact O-N 3Å
492	Y	52.8	Low	50.6	Low	55 Å²	55	76.3 Å²	76.3	22%	0.216	35%	0.348	C	S	.	.	H	α-helix	trans	-55.4	-42.3	175.6	-83.3	-60.3	0	0	0	112.6	L319 H326 I488 Q494 L495 H496	L319-Y492 HydrophobicContact CD2-CE1 4.44Å; H326-Y492 HydrophobicContact CB-CE1 4.19Å; H326-Y492 WeakPolarHBondContact CB-OH 3.37Å; H326-Y492 AromaticContact CD2-CE1 3.42Å; H326-Y492 VanDerWaalsContact CD2-CE1 3.42Å; H326-Y492 WeakPolarHBondContact CD2-CE1 3.27Å; H326-Y492 AromaticContact CD2-CE2 3.71Å; H326-Y492 AromaticContact CD2-CZ 3.2Å; H326-Y492 PolarHBondContact CD2-OH 3.29Å; H326-Y492 AromaticContact CE1-CD1 3.71Å; H326-Y492 AromaticContact CE1-CE1 3.31Å; H326-Y492 WeakPolarHBondContact CE1-CE1 3.28Å; H326-Y492 AromaticContact CE1-CZ 3.95Å; H326-Y492 AromaticContact CG-CE1 3.4Å; H326-Y492 VanDerWaalsContact CG-CE1 3.4Å; H326-Y492 AromaticContact CG-CZ 3.3Å; H326-Y492 AromaticContact ND1-CE1 3.35Å; H326-Y492 VanDerWaalsContact ND1-CE1 3.35Å; H326-Y492 WeakPolarHBondContact ND1-CE1 3.36Å; H326-Y492 AromaticContact ND1-CZ 3.79Å; H326-Y492 AromaticContact NE2-CD1 3.64Å; H326-Y492 AromaticContact NE2-CE1 3.35Å; H326-Y492 VanDerWaalsContact NE2-CE1 3.35Å; H326-Y492 WeakPolarHBondContact NE2-CE1 3.44Å; H326-Y492 AromaticContact NE2-CZ 3.63Å; I488-Y492 HydrophobicContact CG2-CD2 3.52Å; I488-Y492 HydrophobicContact CG2-CE2 3.18Å; I488-Y492 WeakPolarHBondContact O-CD2 3.34Å; I488-Y492 PolarHBondContact O-N 2.73Å; Y492-Q494 VanDerWaalsContact C-N 3.35Å; Y492-L495 PolarHBondContact O-N 3.05Å; Y492-H496 VanDerWaalsContact O-CB 3.29Å; Y492-H496 WeakPolarHBondContact O-CB 3.13Å; Y492-H496 PolarHBondContact O-N 3.13Å
493	R	55.6	Low	51.3	Low	169 Å²	169	72.1 Å²	72.1	64%	0.638	33%	0.331	S	S	*	.	H	α-helix	trans	-67.2	-36.7	179.6	-155.2	178.1	-77.8	166.9	-5.3	111.6	S489 K490 I491 N497	S489-R493 WeakPolarHBondContact O-CB 3.19Å; S489-R493 PolarHBondContact O-N 2.89Å; K490-R493 PolarHBondContact O-N 3.39Å; I491-R493 VanDerWaalsContact C-N 3.26Å; I491-R493 PolarHBondContact O-N 3.17Å; R493-N497 WeakPolarHBondContact O-CB 3.43Å; R493-N497 PolarHBondContact O-N 2.88Å; R493-N497 VanDerWaalsContact O-N 3.11Å; R493-N497 PolarHBondContact O-ND2 3.16Å; R493-N497 PolarHBondContact O-OD1 3.22Å
494	Q	55.1	Low	51.9	Low	64 Å²	64	66.8 Å²	66.8	30%	0.299	31%	0.307	S	S	.	.	H	α-helix	trans	-65.1	-44.1	172.9	-72.8	173	-41	0	0	111.5	K490 I491 Y492 N497 L498	K490-Q494 PolarHBondContact O-N 3.37Å; I491-Q494 WeakPolarHBondContact O-CB 3.48Å; I491-Q494 PolarHBondContact O-N 2.96Å; I491-Q494 VanDerWaalsContact O-N 3.08Å; Y492-Q494 VanDerWaalsContact C-N 3.35Å; Q494-N497 PolarHBondContact O-N 3.29Å; Q494-L498 PolarHBondContact O-N 3.27Å
495	L	51.6	Low	51.5	Low	20 Å²	20	66.5 Å²	66.5	11%	0.105	30%	0.303	C	S	.	.	H	α-helix	trans	-70.1	-38.9	-177.6	-127.7	148.8	0	0	0	112.6	L309 I311 I380 I491 Y492 L498 R499	L309-L495 HydrophobicContact CD2-CD2 3.44Å; L309-L495 VanDerWaalsContact CD2-CD2 3.44Å; I311-L495 HydrophobicContact CD1-CD1 3.62Å; I311-L495 HydrophobicContact CD1-CD2 3.41Å; I311-L495 VanDerWaalsContact CD1-CD2 3.41Å; I311-L495 HydrophobicContact CD1-CG 4.13Å; I380-L495 HydrophobicContact CG2-CD1 4.24Å; I491-L495 HydrophobicContact CG2-CD1 4.5Å; I491-L495 PolarHBondContact O-N 3Å; Y492-L495 PolarHBondContact O-N 3.05Å; L495-L498 PolarHBondContact O-N 3.4Å; L495-R499 PolarHBondContact O-N 2.92Å
496	H	54	Low	51.2	Low	94 Å²	94	64.9 Å²	64.9	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-45.2	172.6	-176.3	73.1	0	0	0	111.8	Y492 L498 R499 C500	Y492-H496 VanDerWaalsContact O-CB 3.29Å; Y492-H496 WeakPolarHBondContact O-CB 3.13Å; Y492-H496 PolarHBondContact O-N 3.13Å; H496-L498 VanDerWaalsContact C-N 3.3Å; H496-L498 PolarHBondContact O-N 3.18Å; H496-R499 PolarHBondContact O-N 3.49Å; H496-C500 PolarHBondContact O-N 3.26Å; H496-C500 PolarHBondContact O-SG 3.46Å; H496-C500 VanDerWaalsContact O-SG 3.35Å
497	N	55.5	Low	50.9	Low	43 Å²	43	57.8 Å²	57.8	23%	0.23	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-41	175.8	-66.9	-11.3	0	0	0	111.3	R493 Q494 C500 Q501 D544	R493-N497 WeakPolarHBondContact O-CB 3.43Å; R493-N497 PolarHBondContact O-N 2.88Å; R493-N497 VanDerWaalsContact O-N 3.11Å; R493-N497 PolarHBondContact O-ND2 3.16Å; R493-N497 PolarHBondContact O-OD1 3.22Å; Q494-N497 PolarHBondContact O-N 3.29Å; N497-C500 PolarHBondContact O-N 3.06Å; N497-Q501 WeakPolarHBondContact O-CB 3.45Å; N497-Q501 WeakPolarHBondContact O-CG 3.19Å; N497-Q501 PolarHBondContact O-N 3.13Å; N497-D544 PolarHBondContact OD1-OD2 3.22Å
498	L	53.5	Low	50.7	Low	10 Å²	10	53 Å²	53	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-44.5	176.7	-172.6	67.2	0	0	0	111.7	Y383 V387 Q494 L495 H496 C500 Q501 V502	Y383-L498 HydrophobicContact CE1-CD2 4.23Å; V387-L498 HydrophobicContact CB-CD1 4.23Å; V387-L498 HydrophobicContact CB-CD2 4.13Å; V387-L498 HydrophobicContact CG1-CD1 3.71Å; V387-L498 HydrophobicContact CG1-CD2 4.09Å; V387-L498 HydrophobicContact CG1-CG 4.26Å; V387-L498 HydrophobicContact CG2-CD2 4.31Å; Q494-L498 PolarHBondContact O-N 3.27Å; L495-L498 PolarHBondContact O-N 3.4Å; H496-L498 VanDerWaalsContact C-N 3.3Å; H496-L498 PolarHBondContact O-N 3.18Å; L498-C500 PolarHBondContact O-N 2.93Å; L498-Q501 WeakPolarHBondContact O-CB 3.18Å; L498-Q501 PolarHBondContact O-N 2.61Å; L498-V502 WeakPolarHBondContact O-CG2 3.35Å; L498-V502 PolarHBondContact O-N 2.99Å
499	R	52.9	Low	50.4	Low	61 Å²	61	55.2 Å²	55.2	23%	0.23	27%	0.274	C	S	.	.	H	α-helix	trans	-57.9	-49.5	174.1	179.5	-176.1	172.2	-148	-9.6	110.8	L495 H496 Q501 V502 E503	L495-R499 PolarHBondContact O-N 2.92Å; H496-R499 PolarHBondContact O-N 3.49Å; R499-Q501 VanDerWaalsContact C-N 3.27Å; R499-Q501 PolarHBondContact O-N 3.42Å; R499-V502 PolarHBondContact O-N 3.43Å; R499-E503 HydrophobicContact CG-CG 4.24Å; R499-E503 IonicContact CZ-OE1 2.7Å; R499-E503 IonicContact NE-OE1 2.81Å; R499-E503 PolarHBondContact NE-OE1 3.22Å; R499-E503 IonicContact NE-OE2 3.18Å; R499-E503 IonicContact NH2-OE1 4Å; R499-E503 PolarHBondContact NH2-OE1 2.71Å; R499-E503 IonicContact NH2-OE2 3.57Å; R499-E503 WeakPolarHBondContact O-CB 3.39Å; R499-E503 WeakPolarHBondContact O-CG 3.47Å; R499-E503 PolarHBondContact O-N 2.89Å
500	C	50.6	Low	50	Low	32 Å²	32	57.2 Å²	57.2	22%	0.216	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-35.7	178.1	-68.5	0	0	0	0	112.3	H496 N497 L498 S504	H496-C500 PolarHBondContact O-N 3.26Å; H496-C500 PolarHBondContact O-SG 3.46Å; H496-C500 VanDerWaalsContact O-SG 3.35Å; N497-C500 PolarHBondContact O-N 3.06Å; L498-C500 PolarHBondContact O-N 2.93Å; C500-S504 VanDerWaalsContact O-CB 3.26Å; C500-S504 WeakPolarHBondContact O-CB 3.39Å; C500-S504 PolarHBondContact O-N 2.92Å
501	Q	53.4	Low	49.1	Very low	65 Å²	65	53.5 Å²	53.5	30%	0.304	26%	0.259	S	S	.	.	H	α-helix	trans	-63.2	-52.6	172.1	-79.5	178	-28.8	0	0	111	F391 N497 L498 R499 E503 S504 F505	F391-Q501 HydrophobicContact CZ-CB 4.15Å; N497-Q501 WeakPolarHBondContact O-CB 3.45Å; N497-Q501 WeakPolarHBondContact O-CG 3.19Å; N497-Q501 PolarHBondContact O-N 3.13Å; L498-Q501 WeakPolarHBondContact O-CB 3.18Å; L498-Q501 PolarHBondContact O-N 2.61Å; R499-Q501 VanDerWaalsContact C-N 3.27Å; R499-Q501 PolarHBondContact O-N 3.42Å; Q501-E503 PolarHBondContact O-N 3.37Å; Q501-S504 WeakPolarHBondContact O-CB 3.39Å; Q501-S504 PolarHBondContact O-N 3.17Å; Q501-S504 VanDerWaalsContact O-N 3.12Å; Q501-S504 PolarHBondContact O-OG 2.73Å; Q501-F505 WeakPolarHBondContact O-CD2 3.49Å; Q501-F505 PolarHBondContact O-N 3.32Å
502	V	48.8	Very low	48.4	Very low	11 Å²	11	53.9 Å²	53.9	7%	0.067	27%	0.27	C	S	.	.	H	α-helix	trans	-63.2	-45.1	-179	177.2	0	0	0	0	111.7	F391 L498 R499 S504 F505 L508 L511 L513	F391-V502 HydrophobicContact CE2-CG2 4.39Å; L498-V502 WeakPolarHBondContact O-CG2 3.35Å; L498-V502 PolarHBondContact O-N 2.99Å; R499-V502 PolarHBondContact O-N 3.43Å; V502-S504 PolarHBondContact O-N 3Å; V502-F505 PolarHBondContact O-N 3.27Å; V502-L508 HydrophobicContact CG1-CB 4.3Å; V502-L511 HydrophobicContact CG1-CD1 4.4Å; V502-L513 HydrophobicContact CB-CD1 4.12Å; V502-L513 HydrophobicContact CG1-CD1 3.89Å; V502-L513 HydrophobicContact CG2-CD1 3.81Å
503	E	49.5	Very low	47.7	Very low	94 Å²	94	54.6 Å²	54.6	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-65	-24.1	176.5	-72.7	-179.5	170.3	0	0	112.8	R499 Q501	R499-E503 HydrophobicContact CG-CG 4.24Å; R499-E503 IonicContact CZ-OE1 2.7Å; R499-E503 IonicContact NE-OE1 2.81Å; R499-E503 PolarHBondContact NE-OE1 3.22Å; R499-E503 IonicContact NE-OE2 3.18Å; R499-E503 IonicContact NH2-OE1 4Å; R499-E503 PolarHBondContact NH2-OE1 2.71Å; R499-E503 IonicContact NH2-OE2 3.57Å; R499-E503 WeakPolarHBondContact O-CB 3.39Å; R499-E503 WeakPolarHBondContact O-CG 3.47Å; R499-E503 PolarHBondContact O-N 2.89Å; Q501-E503 PolarHBondContact O-N 3.37Å
504	S	46.9	Very low	46.6	Very low	16 Å²	16	51.4 Å²	51.4	11%	0.112	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-43.8	175.3	74.3	0	0	0	0	110.2	C500 Q501 V502 S506 H538	C500-S504 VanDerWaalsContact O-CB 3.26Å; C500-S504 WeakPolarHBondContact O-CB 3.39Å; C500-S504 PolarHBondContact O-N 2.92Å; Q501-S504 WeakPolarHBondContact O-CB 3.39Å; Q501-S504 PolarHBondContact O-N 3.17Å; Q501-S504 VanDerWaalsContact O-N 3.12Å; Q501-S504 PolarHBondContact O-OG 2.73Å; V502-S504 PolarHBondContact O-N 3Å; S504-S506 PolarHBondContact O-N 2.87Å; S504-H538 WeakPolarHBondContact O-CA 3.21Å; S504-H538 WeakPolarHBondContact O-CB 3.22Å; S504-H538 PolarHBondContact O-N 2.74Å
505	F	44.9	Very low	45.4	Very low	37 Å²	37	52.2 Å²	52.2	16%	0.162	29%	0.294	C	S	.	.			trans	-85.3	105.2	-175.8	-64.1	-79.7	0	0	0	112.6	F391 Q501 V502 Y507 L508 S509 H538	F391-F505 AromaticContact CE1-CD2 3.93Å; F391-F505 HydrophobicContact CE1-CD2 3.93Å; F391-F505 AromaticContact CE1-CE2 3.41Å; F391-F505 HydrophobicContact CE1-CE2 3.41Å; F391-F505 VanDerWaalsContact CE1-CE2 3.41Å; F391-F505 AromaticContact CE1-CZ 3.98Å; F391-F505 HydrophobicContact CE1-CZ 3.98Å; F391-F505 HydrophobicContact CE2-CD2 4.04Å; F391-F505 HydrophobicContact CE2-CE2 4.31Å; F391-F505 AromaticContact CZ-CD2 3.22Å; F391-F505 HydrophobicContact CZ-CD2 3.22Å; F391-F505 AromaticContact CZ-CE2 3.12Å; F391-F505 HydrophobicContact CZ-CE2 3.12Å; F391-F505 HydrophobicContact CZ-CG 4.32Å; F391-F505 HydrophobicContact CZ-CZ 4.11Å; Q501-F505 WeakPolarHBondContact O-CD2 3.49Å; Q501-F505 PolarHBondContact O-N 3.32Å; V502-F505 PolarHBondContact O-N 3.27Å; F505-Y507 HydrophobicContact CB-CD1 4.16Å; F505-Y507 HydrophobicContact CB-CE1 3.79Å; F505-Y507 HydrophobicContact CD1-CD1 4.38Å; F505-Y507 AromaticContact CD1-CE1 3.41Å; F505-Y507 HydrophobicContact CD1-CE1 3.41Å; F505-Y507 VanDerWaalsContact CD1-CE1 3.41Å; F505-Y507 AromaticContact CD1-CZ 3.79Å; F505-Y507 HydrophobicContact CE1-CE1 4.34Å; F505-Y507 AromaticContact CG-CE1 3.93Å; F505-Y507 HydrophobicContact CG-CE1 3.93Å; F505-Y507 PolarHBondContact O-N 3.42Å; F505-L508 HydrophobicContact CB-CB 3.97Å; F505-L508 HydrophobicContact CB-CD1 3.8Å; F505-L508 HydrophobicContact CB-CG 3.76Å; F505-L508 HydrophobicContact CD2-CD1 4.17Å; F505-L508 HydrophobicContact CG-CD1 4.18Å; F505-L508 WeakPolarHBondContact O-CA 3.41Å; F505-L508 WeakPolarHBondContact O-CB 3.2Å; F505-L508 PolarHBondContact O-N 2.58Å; F505-S509 PolarHBondContact O-N 3.31Å; F505-H538 HydrophobicContact CD1-CB 3.86Å; F505-H538 AromaticContact CD1-CD2 3.69Å; F505-H538 HydrophobicContact CE1-CB 4.35Å; F505-H538 AromaticContact CE1-CD2 3.88Å; F505-H538 HydrophobicContact CG-CB 4.33Å
506	S	41.1	Very low	44.5	Very low	59 Å²	59	58.5 Å²	58.5	41%	0.413	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-55.1	-36.3	178.5	52.6	0	0	0	0	113.6	S504 L508 S509	S504-S506 PolarHBondContact O-N 2.87Å; S506-L508 PolarHBondContact O-N 2.76Å; S506-S509 VanDerWaalsContact O-CB 3.31Å; S506-S509 WeakPolarHBondContact O-CB 3.43Å; S506-S509 PolarHBondContact O-N 3.5Å; S506-S509 PolarHBondContact O-OG 2.72Å
507	Y	45.6	Very low	43.5	Very low	29 Å²	29	60.6 Å²	60.6	11%	0.114	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-74.6	-6.2	176.3	72	-94.8	0	0	0	113.5	I394 N395 F505 W510	I394-Y507 HydrophobicContact CG2-CE2 3.71Å; N395-Y507 PolarHBondContact OD1-OH 3.05Å; F505-Y507 HydrophobicContact CB-CD1 4.16Å; F505-Y507 HydrophobicContact CB-CE1 3.79Å; F505-Y507 HydrophobicContact CD1-CD1 4.38Å; F505-Y507 AromaticContact CD1-CE1 3.41Å; F505-Y507 HydrophobicContact CD1-CE1 3.41Å; F505-Y507 VanDerWaalsContact CD1-CE1 3.41Å; F505-Y507 AromaticContact CD1-CZ 3.79Å; F505-Y507 HydrophobicContact CE1-CE1 4.34Å; F505-Y507 AromaticContact CG-CE1 3.93Å; F505-Y507 HydrophobicContact CG-CE1 3.93Å; F505-Y507 PolarHBondContact O-N 3.42Å; Y507-W510 PolarHBondContact O-NE1 3.34Å
508	L	45.7	Very low	42.3	Very low	2 Å²	2	61.9 Å²	61.9	1%	0.01	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-101.6	1	172.1	-65.5	-174.3	0	0	0	112.3	F391 I394 V502 F505 S506 W510 L511	F391-L508 HydrophobicContact CD2-CD1 3.8Å; F391-L508 HydrophobicContact CE2-CD1 3.27Å; F391-L508 HydrophobicContact CZ-CD1 3.94Å; I394-L508 HydrophobicContact CD1-CD2 3.79Å; I394-L508 HydrophobicContact CG2-CD2 4.38Å; V502-L508 HydrophobicContact CG1-CB 4.3Å; F505-L508 HydrophobicContact CB-CB 3.97Å; F505-L508 HydrophobicContact CB-CD1 3.8Å; F505-L508 HydrophobicContact CB-CG 3.76Å; F505-L508 HydrophobicContact CD2-CD1 4.17Å; F505-L508 HydrophobicContact CG-CD1 4.18Å; F505-L508 WeakPolarHBondContact O-CA 3.41Å; F505-L508 WeakPolarHBondContact O-CB 3.2Å; F505-L508 PolarHBondContact O-N 2.58Å; S506-L508 PolarHBondContact O-N 2.76Å; L508-W510 PolarHBondContact O-N 2.96Å; L508-W510 VanDerWaalsContact O-N 3.1Å; L508-L511 HydrophobicContact CB-CD1 3.99Å; L508-L511 HydrophobicContact CB-CG 4.45Å; L508-L511 HydrophobicContact CD1-CD1 4.21Å; L508-L511 HydrophobicContact CD2-CD1 3.86Å; L508-L511 HydrophobicContact CD2-CG 4.3Å; L508-L511 HydrophobicContact CG-CD1 4.24Å; L508-L511 VanDerWaalsContact O-CB 3.28Å; L508-L511 WeakPolarHBondContact O-CB 3.35Å; L508-L511 PolarHBondContact O-N 3.08Å
509	S	44.5	Very low	41.3	Very low	91 Å²	91	67.9 Å²	67.9	64%	0.636	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-56.3	-26.6	174.5	58.7	0	0	0	0	112.9	F505 S506 L511	F505-S509 PolarHBondContact O-N 3.31Å; S506-S509 VanDerWaalsContact O-CB 3.31Å; S506-S509 WeakPolarHBondContact O-CB 3.43Å; S506-S509 PolarHBondContact O-N 3.5Å; S506-S509 PolarHBondContact O-OG 2.72Å; S509-L511 VanDerWaalsContact C-N 3.28Å; S509-L511 PolarHBondContact O-N 3.33Å
510	W	41.9	Very low	40.4	Very low	95 Å²	95	68.8 Å²	68.8	36%	0.36	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-74.2	-10.5	175.1	71.5	-92.5	0	0	0	114.2	W418 Y507 L508 G512	W418-W510 HydrophobicContact CD2-CH2 4.13Å; W418-W510 HydrophobicContact CD2-CZ3 4.14Å; W418-W510 HydrophobicContact CE3-CE3 4.42Å; W418-W510 AromaticContact CE3-CH2 3.14Å; W418-W510 HydrophobicContact CE3-CH2 3.14Å; W418-W510 AromaticContact CE3-CZ2 3.58Å; W418-W510 HydrophobicContact CE3-CZ2 3.58Å; W418-W510 AromaticContact CE3-CZ3 3.55Å; W418-W510 HydrophobicContact CE3-CZ3 3.55Å; W418-W510 AromaticContact CH2-CH2 3.68Å; W418-W510 HydrophobicContact CH2-CH2 3.68Å; W418-W510 AromaticContact CH2-CZ3 3.6Å; W418-W510 HydrophobicContact CH2-CZ3 3.6Å; W418-W510 HydrophobicContact CZ2-CZ3 4.16Å; W418-W510 AromaticContact CZ3-CH2 2.91Å; W418-W510 HydrophobicContact CZ3-CH2 2.91Å; W418-W510 AromaticContact CZ3-CZ2 3.8Å; W418-W510 HydrophobicContact CZ3-CZ2 3.8Å; W418-W510 AromaticContact CZ3-CZ3 3.32Å; W418-W510 HydrophobicContact CZ3-CZ3 3.32Å; Y507-W510 PolarHBondContact O-NE1 3.34Å; L508-W510 PolarHBondContact O-N 2.96Å; L508-W510 VanDerWaalsContact O-N 3.1Å; W510-G512 PolarHBondContact O-N 3.33Å
511	L	37.7	Very low	39.8	Very low	47 Å²	47	75.9 Å²	75.9	25%	0.246	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-61.9	-1.2	177.3	-83.1	175.4	0	0	0	113.5	V502 L508 S509 L513	V502-L511 HydrophobicContact CG1-CD1 4.4Å; L508-L511 HydrophobicContact CB-CD1 3.99Å; L508-L511 HydrophobicContact CB-CG 4.45Å; L508-L511 HydrophobicContact CD1-CD1 4.21Å; L508-L511 HydrophobicContact CD2-CD1 3.86Å; L508-L511 HydrophobicContact CD2-CG 4.3Å; L508-L511 HydrophobicContact CG-CD1 4.24Å; L508-L511 VanDerWaalsContact O-CB 3.28Å; L508-L511 WeakPolarHBondContact O-CB 3.35Å; L508-L511 PolarHBondContact O-N 3.08Å; S509-L511 VanDerWaalsContact C-N 3.28Å; S509-L511 PolarHBondContact O-N 3.33Å; L511-L513 PolarHBondContact O-N 3.03Å
512	G	33.7	Very low	39.1	Very low	38 Å²	38	82 Å²	82	39%	0.392	45%	0.452	S	S	.	.			trans	60.2	27.3	163.9	0	0	0	0	0	112.9	W510 T514	W510-G512 PolarHBondContact O-N 3.33Å; G512-T514 CarbonylContact C-O 3.26Å; G512-T514 VanDerWaalsContact C-O 3.26Å; G512-T514 CarbonylContact O-C 3.6Å; G512-T514 PolarHBondContact O-N 3.12Å; G512-T514 VanDerWaalsContact O-N 3.1Å
513	L	39.8	Very low	38.7	Very low	70 Å²	70	86.9 Å²	86.9	37%	0.366	48%	0.481	S	S	.	.			trans	-69.7	1.2	171.5	-64.1	-175.7	0	0	0	112	Y383 V502 L511	Y383-L513 WeakPolarHBondContact OH-CD2 3.46Å; V502-L513 HydrophobicContact CB-CD1 4.12Å; V502-L513 HydrophobicContact CG1-CD1 3.89Å; V502-L513 HydrophobicContact CG2-CD1 3.81Å; L511-L513 PolarHBondContact O-N 3.03Å
514	T	30.8	Very low	38.6	Very low	101 Å²	101	89.5 Å²	89.5	62%	0.62	50%	0.497	S	S	*	.	S	Bend	trans	-105.2	134.6	154.6	50.4	0	0	0	0	108.3	G512 E516	G512-T514 CarbonylContact C-O 3.26Å; G512-T514 VanDerWaalsContact C-O 3.26Å; G512-T514 CarbonylContact O-C 3.6Å; G512-T514 PolarHBondContact O-N 3.12Å; G512-T514 VanDerWaalsContact O-N 3.1Å; T514-E516 PolarHBondContact O-N 3.01Å
515	A	30.4	Very low	38.7	Very low	81 Å²	81	92.7 Å²	92.7	67%	0.669	52%	0.516	S	S	*	.			trans	-41.4	125.1	177.2	0	0	0	0	0	110.7	Q517	A515-Q517 PolarHBondContact O-N 3.42Å
516	E	33.4	Very low	39	Very low	152 Å²	152	96.1 Å²	96.1	71%	0.71	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-47	116.2	162.2	-80.9	-175.6	153.8	0	0	106.4	H436 T514	H436-E516 IonicContact CE1-OE2 2.87Å; H436-E516 PolarHBondContact CE1-OE2 2.87Å; H436-E516 VanDerWaalsContact CE1-OE2 3.31Å; T514-E516 PolarHBondContact O-N 3.01Å
517	Q	33.4	Very low	39.8	Very low	138 Å²	138	94.7 Å²	94.7	65%	0.645	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-55.4	137.8	179.7	-81.3	-174.9	-24.2	0	0	107.7	A515	A515-Q517 PolarHBondContact O-N 3.42Å
518	P	30.3	Very low	40.5	Very low	70 Å²	70	100.7 Å²	100.7	46%	0.455	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-52.2	155.1	164.6	24.9	-30.7	0	0	0	107.6	T520	P518-T520 HydrophobicContact CG-CG2 4.22Å; P518-T520 PolarHBondContact O-N 3.45Å; P518-T520 PolarHBondContact O-OG1 3.11Å
519	P	32	Very low	42	Very low	136 Å²	136	107.8 Å²	107.8	88%	0.883	60%	0.601	S	S	*	*			trans	-68.5	67.4	177.4	30.1	-34	0	0	0	109.7	Q521	P519-Q521 PolarHBondContact O-N 3.5Å
520	T	34	Very low	43.8	Very low	80 Å²	80	104.6 Å²	104.6	49%	0.491	58%	0.58	S	S	.	*			trans	-71.3	121.4	164.5	44.4	0	0	0	0	105.2	P518 K522	P518-T520 HydrophobicContact CG-CG2 4.22Å; P518-T520 PolarHBondContact O-N 3.45Å; P518-T520 PolarHBondContact O-OG1 3.11Å; T520-K522 PolarHBondContact O-N 2.84Å; T520-K522 VanDerWaalsContact O-N 3.13Å
521	Q	37.8	Very low	45.9	Very low	181 Å²	181	102.9 Å²	102.9	85%	0.846	58%	0.581	S	S	*	*			trans	-27.3	122.5	163.5	-79.6	168.8	-36.9	0	0	108.8	P519 V523	P519-Q521 PolarHBondContact O-N 3.5Å; Q521-V523 WeakPolarHBondContact O-CG2 3.29Å; Q521-V523 PolarHBondContact O-N 3.46Å
522	K	39.2	Very low	48.1	Very low	195 Å²	195	102.7 Å²	102.7	85%	0.848	59%	0.587	S	S	*	*			trans	-38.8	85	-177.9	-70.8	176.6	176.9	177	0	111.1	T520 L524	T520-K522 PolarHBondContact O-N 2.84Å; T520-K522 VanDerWaalsContact O-N 3.13Å; K522-L524 HydrophobicContact CB-CD1 4.45Å; K522-L524 PolarHBondContact O-N 3.26Å
523	V	40.8	Very low	50.7	Low	113 Å²	113	101.7 Å²	101.7	69%	0.685	57%	0.574	S	S	*	*			trans	-74.2	96	164.3	-179.8	0	0	0	0	100.5	Q521 V525	Q521-V523 WeakPolarHBondContact O-CG2 3.29Å; Q521-V523 PolarHBondContact O-N 3.46Å; V523-V525 HydrophobicContact CG1-CG2 4.37Å; V523-V525 PolarHBondContact O-N 2.9Å
524	L	47.9	Very low	53	Low	148 Å²	148	98.5 Å²	98.5	78%	0.775	56%	0.557	S	S	*	*			trans	-61.4	87	169.4	-85.5	108	0	0	0	105.8	K522 P526	K522-L524 HydrophobicContact CB-CD1 4.45Å; K522-L524 PolarHBondContact O-N 3.26Å; L524-P526 WeakPolarHBondContact O-CD 3.38Å; L524-P526 VanDerWaalsContact O-N 3.15Å
525	V	48.8	Very low	55.5	Low	84 Å²	84	95.5 Å²	95.5	51%	0.509	54%	0.539	S	S	.	.			trans	-62.4	116.4	164.4	-175.1	0	0	0	0	104.4	V523 G527 F528	V523-V525 HydrophobicContact CG1-CG2 4.37Å; V523-V525 PolarHBondContact O-N 2.9Å; V525-G527 PolarHBondContact O-N 3.42Å; V525-G527 VanDerWaalsContact O-N 3.12Å; V525-F528 PolarHBondContact O-N 2.94Å
526	P	50.4	Low	58.1	Low	109 Å²	109	95.5 Å²	95.5	71%	0.708	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	125.4	178.5	-26.2	36.1	0	0	0	109.3	L524 M687	L524-P526 WeakPolarHBondContact O-CD 3.38Å; L524-P526 VanDerWaalsContact O-N 3.15Å; P526-M687 HydrophobicContact CB-CE 4.31Å
527	G	58.2	Low	60.5	Low	29 Å²	29	89.2 Å²	89.2	30%	0.299	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	4.1	-179.3	0	0	0	0	0	116.7	V525 N529 A530	V525-G527 PolarHBondContact O-N 3.42Å; V525-G527 VanDerWaalsContact O-N 3.12Å; G527-N529 PolarHBondContact O-N 3.32Å; G527-N529 VanDerWaalsContact O-N 3.16Å; G527-A530 WeakPolarHBondContact O-CB 3.28Å; G527-A530 PolarHBondContact O-N 3.28Å
528	F	60.5	Low	62.6	Low	155 Å²	155	84.2 Å²	84.2	68%	0.68	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-36.1	174.2	-177.2	-98.9	0	0	0	113.1	V525	V525-F528 PolarHBondContact O-N 2.94Å
529	N	76.9	Confident	65	Low	150 Å²	150	86 Å²	86	80%	0.802	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	12.3	175.6	-64.6	-27	0	0	0	113.1	G527	G527-N529 PolarHBondContact O-N 3.32Å; G527-N529 VanDerWaalsContact O-N 3.16Å
530	A	81.5	Confident	67.6	Low	24 Å²	24	80.4 Å²	80.4	20%	0.198	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-67	134.2	179.7	0	0	0	0	0	109.6	G527 G682 V684 M687	G527-A530 WeakPolarHBondContact O-CB 3.28Å; G527-A530 PolarHBondContact O-N 3.28Å; A530-G682 WeakPolarHBondContact CB-O 3.4Å; A530-V684 HydrophobicContact CB-CB 4.33Å; A530-M687 HydrophobicContact CB-CG 4.29Å
531	P	86.1	Confident	70.2	Confident	59 Å²	59	80.6 Å²	80.6	38%	0.383	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-63.5	155.1	178.6	24.6	-32	0	0	0	111.4	A681 G682 T683 V684	P531-A681 VanDerWaalsContact CG-O 3.23Å; P531-A681 WeakPolarHBondContact CG-O 3.49Å; P531-G682 WeakPolarHBondContact CD-O 3.4Å; P531-T683 HydrophobicContact CG-CG2 4.33Å; P531-T683 VanDerWaalsContact O-CA 3.31Å; P531-T683 WeakPolarHBondContact O-CA 3.42Å; P531-V684 PolarHBondContact O-N 3.01Å
532	A	85.3	Confident	72.5	Confident	43 Å²	43	73.2 Å²	73.2	36%	0.355	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-59.5	154.8	171.4	0	0	0	0	0	110.8	N534	A532-N534 PolarHBondContact O-N 3.45Å
533	P	87.9	Confident	74.6	Confident	18 Å²	18	66.2 Å²	66.2	12%	0.117	37%	0.372	C	S	.	.	S	Bend	trans	-62.4	-25.4	-178.7	-27.2	40.3	0	0	0	114.5	M537 P671 Y677 Q678 V684 L685	P533-M537 HydrophobicContact CB-CE 4.31Å; P533-P671 HydrophobicContact CB-CB 3.84Å; P533-P671 HydrophobicContact CB-CG 4.02Å; P533-Y677 WeakPolarHBondContact O-CE1 3.36Å; P533-Q678 VanDerWaalsContact CA-OE1 3.25Å; P533-Q678 PolarHBondContact O-NE2 2.82Å; P533-Q678 PolarHBondContact O-OE1 3.02Å; P533-V684 HydrophobicContact CG-CG1 3.77Å; P533-L685 HydrophobicContact CB-CD1 3.77Å; P533-L685 HydrophobicContact CB-CG 4.19Å; P533-L685 HydrophobicContact CG-CB 4.47Å; P533-L685 HydrophobicContact CG-CD1 3.62Å; P533-L685 HydrophobicContact CG-CG 3.56Å
534	N	88.2	Confident	76.5	Confident	2 Å²	2	63 Å²	63	1%	0.011	35%	0.351	C	S	.	.	S	Bend	trans	-142.7	126.7	165	175.1	-15.1	0	0	0	107.2	A532 Q536 M537 P671 F673	A532-N534 PolarHBondContact O-N 3.45Å; N534-Q536 PolarHBondContact O-N 3.15Å; N534-Q536 VanDerWaalsContact O-N 3.13Å; N534-Q536 PolarHBondContact OD1-N 3.35Å; N534-M537 HydrophobicContact CB-CE 3.99Å; N534-M537 WeakPolarHBondContact O-CB 3.41Å; N534-M537 PolarHBondContact O-N 3.27Å; N534-M537 VanDerWaalsContact O-N 3.14Å; N534-P671 HydrophobicContact CB-CB 3.97Å; N534-P671 WeakPolarHBondContact CB-O 3.44Å; N534-P671 PolarHBondContact ND2-O 2.92Å; N534-F673 HydrophobicContact CB-CD2 3.78Å; N534-F673 HydrophobicContact CB-CE2 4.05Å; N534-F673 WeakPolarHBondContact ND2-CD2 3.25Å; N534-F673 WeakPolarHBondContact ND2-CE2 3.44Å
535	P	82.5	Confident	78.2	Confident	39 Å²	39	58.3 Å²	58.3	25%	0.253	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.1	178.3	-19.9	26	0	0	0	114.4	Y677 Y819	P535-Y677 WeakPolarHBondContact CD-OH 3.34Å; P535-Y819 HydrophobicContact CB-CE2 4.34Å; P535-Y819 HydrophobicContact CG-CD2 4.5Å; P535-Y819 HydrophobicContact CG-CE1 3.86Å; P535-Y819 HydrophobicContact CG-CE2 3.67Å; P535-Y819 WeakPolarHBondContact CG-OH 3.42Å
536	Q	85.2	Confident	79.9	Confident	80 Å²	80	55.5 Å²	55.5	37%	0.374	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	26.3	-179.2	-61.7	-174.3	-13.1	0	0	112.9	N534 H538 L539 I540 H815	N534-Q536 PolarHBondContact O-N 3.15Å; N534-Q536 VanDerWaalsContact O-N 3.13Å; N534-Q536 PolarHBondContact OD1-N 3.35Å; Q536-H538 PolarHBondContact O-N 2.85Å; Q536-H538 VanDerWaalsContact O-N 3.07Å; Q536-L539 HydrophobicContact CB-CD1 4.26Å; Q536-L539 HydrophobicContact CG-CD1 4.43Å; Q536-L539 PolarHBondContact O-N 3.29Å; Q536-I540 PolarHBondContact O-N 3.4Å; Q536-H815 PolarHBondContact OE1-CE1 2.95Å
537	M	83.1	Confident	81.8	Confident	20 Å²	20	50.4 Å²	50.4	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-48.5	-40.7	-178.8	-166.4	56.4	62.7	0	0	113.2	P533 N534 L539 I540 R541 P671	P533-M537 HydrophobicContact CB-CE 4.31Å; N534-M537 HydrophobicContact CB-CE 3.99Å; N534-M537 WeakPolarHBondContact O-CB 3.41Å; N534-M537 PolarHBondContact O-N 3.27Å; N534-M537 VanDerWaalsContact O-N 3.14Å; M537-L539 PolarHBondContact O-N 3.38Å; M537-I540 HydrophobicContact CE-CD1 4.3Å; M537-I540 WeakPolarHBondContact O-CG1 3.28Å; M537-I540 PolarHBondContact O-N 3.42Å; M537-I540 HydrophobicContact SD-CD1 3.85Å; M537-I540 HydrophobicContact SD-CG1 4.06Å; M537-R541 HydrophobicContact CG-CG 4.41Å; M537-R541 WeakPolarHBondContact O-CG 3.39Å; M537-R541 PolarHBondContact O-N 2.9Å; M537-R541 VanDerWaalsContact O-N 3.16Å; M537-R541 HydrophobicContact SD-CG 4.39Å; M537-P671 HydrophobicContact CE-CB 3.8Å
538	H	77.4	Confident	83.3	Confident	33 Å²	33	54.7 Å²	54.7	15%	0.153	29%	0.29	C	S	.	.	H	α-helix	trans	-58.2	-30.2	178.2	67.5	-82.9	0	0	0	115	S504 F505 Q536	S504-H538 WeakPolarHBondContact O-CA 3.21Å; S504-H538 WeakPolarHBondContact O-CB 3.22Å; S504-H538 PolarHBondContact O-N 2.74Å; F505-H538 HydrophobicContact CD1-CB 3.86Å; F505-H538 AromaticContact CD1-CD2 3.69Å; F505-H538 HydrophobicContact CE1-CB 4.35Å; F505-H538 AromaticContact CE1-CD2 3.88Å; F505-H538 HydrophobicContact CG-CB 4.33Å; Q536-H538 PolarHBondContact O-N 2.85Å; Q536-H538 VanDerWaalsContact O-N 3.07Å
539	L	81.3	Confident	84.9	Confident	108 Å²	108	54.2 Å²	54.2	57%	0.565	28%	0.283	S	S	*	.	H	α-helix	trans	-88.7	-27	-176.4	-59.8	178.4	0	0	0	112.4	Q536 M537	Q536-L539 HydrophobicContact CB-CD1 4.26Å; Q536-L539 HydrophobicContact CG-CD1 4.43Å; Q536-L539 PolarHBondContact O-N 3.29Å; M537-L539 PolarHBondContact O-N 3.38Å
540	I	87.5	Confident	85.7	Confident	18 Å²	18	48.1 Å²	48.1	9%	0.092	25%	0.251	C	S	.	.	H	α-helix	trans	-92.4	-22.3	-176.1	65.3	167.3	0	0	0	112.3	Q536 M537 R542 N621 R622 V623 P671	Q536-I540 PolarHBondContact O-N 3.4Å; M537-I540 HydrophobicContact CE-CD1 4.3Å; M537-I540 WeakPolarHBondContact O-CG1 3.28Å; M537-I540 PolarHBondContact O-N 3.42Å; M537-I540 HydrophobicContact SD-CD1 3.85Å; M537-I540 HydrophobicContact SD-CG1 4.06Å; I540-R542 PolarHBondContact O-N 3.44Å; I540-N621 HydrophobicContact CD1-CB 4.17Å; I540-N621 HydrophobicContact CG1-CB 4.35Å; I540-R622 WeakPolarHBondContact O-CA 3.4Å; I540-R622 WeakPolarHBondContact O-CB 3.45Å; I540-R622 PolarHBondContact O-N 2.72Å; I540-V623 HydrophobicContact CB-CG1 4.13Å; I540-V623 HydrophobicContact CD1-CG1 3.76Å; I540-V623 HydrophobicContact CG2-CG1 4.22Å; I540-P671 VanDerWaalsContact CD1-O 3.29Å; I540-P671 WeakPolarHBondContact CD1-O 3.29Å
541	R	87	Confident	86.3	Confident	84 Å²	84	47.4 Å²	47.4	32%	0.317	24%	0.244	S	C	.	.	S	Bend	trans	-60.1	138.8	177.5	-79.6	-176.7	176.1	-152.2	-2	111	M537 S543	M537-R541 HydrophobicContact CG-CG 4.41Å; M537-R541 WeakPolarHBondContact O-CG 3.39Å; M537-R541 PolarHBondContact O-N 2.9Å; M537-R541 VanDerWaalsContact O-N 3.16Å; M537-R541 HydrophobicContact SD-CG 4.39Å; R541-S543 PolarHBondContact O-N 2.9Å
542	R	87.2	Confident	86.8	Confident	26 Å²	26	50.5 Å²	50.5	10%	0.098	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-67.5	128.9	177.6	-167.9	178.2	-59.6	-79.9	-11.7	109.2	I540 S547 D582 Y617 Y620 R622	I540-R542 PolarHBondContact O-N 3.44Å; R542-S547 VanDerWaalsContact CD-OG 3.31Å; R542-S547 WeakPolarHBondContact CD-OG 3.38Å; R542-S547 WeakPolarHBondContact CG-OG 3.34Å; R542-D582 IonicContact NH1-OD2 2.97Å; R542-D582 PolarHBondContact NH1-OD2 3.3Å; R542-Y617 VanDerWaalsContact CD-CE1 3.48Å; R542-Y617 PolarHBondContact NE-O 2.61Å; R542-Y617 PolarHBondContact NH1-OH 3.47Å; R542-Y620 PolarHBondContact NE-O 2.76Å; R542-Y620 PolarHBondContact NH2-O 2.69Å; R542-R622 HydrophobicContact CB-CG 4.41Å
543	S	82.3	Confident	87.4	Confident	48 Å²	48	51.5 Å²	51.5	34%	0.336	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-68	148.9	177.9	76.2	0	0	0	0	111.2	R541 A545 D546 S547	R541-S543 PolarHBondContact O-N 2.9Å; S543-A545 PolarHBondContact O-N 2.86Å; S543-D546 PolarHBondContact O-N 3.13Å; S543-D546 VanDerWaalsContact OG-CB 3.3Å; S543-D546 WeakPolarHBondContact OG-CB 3.34Å; S543-D546 PolarHBondContact OG-N 3.49Å; S543-D546 PolarHBondContact OG-OD2 3.08Å; S543-S547 WeakPolarHBondContact O-CB 3.5Å; S543-S547 PolarHBondContact O-N 3.22Å; S543-S547 PolarHBondContact O-OG 2.9Å
544	D	81.9	Confident	87.9	Confident	47 Å²	47	50.7 Å²	50.7	25%	0.251	25%	0.245	S	C	.	.	H	α-helix	trans	-61.8	-33.6	174	-73.1	-22.9	0	0	0	112.1	N497 S547 R548	N497-D544 PolarHBondContact OD1-OD2 3.22Å; D544-S547 PolarHBondContact O-N 3.36Å; D544-R548 WeakPolarHBondContact O-CB 3.34Å; D544-R548 VanDerWaalsContact O-CG 3.29Å; D544-R548 WeakPolarHBondContact O-CG 3.11Å; D544-R548 PolarHBondContact O-N 2.89Å
545	A	83.8	Confident	88.2	Confident	48 Å²	48	56.4 Å²	56.4	40%	0.397	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-48	178.7	0	0	0	0	0	111.4	S543 S547 R548 R549	S543-A545 PolarHBondContact O-N 2.86Å; A545-S547 VanDerWaalsContact C-N 3.32Å; A545-S547 PolarHBondContact O-N 2.85Å; A545-R548 PolarHBondContact O-N 3.5Å; A545-R549 PolarHBondContact O-N 3.34Å
546	D	84.6	Confident	88.9	Confident	25 Å²	25	59.6 Å²	59.6	13%	0.134	28%	0.284	C	S	.	.	H	α-helix	trans	-65.4	-38.3	176.5	-69.8	-33.8	0	0	0	111.5	S543 R549 N550 R622	S543-D546 PolarHBondContact O-N 3.13Å; S543-D546 VanDerWaalsContact OG-CB 3.3Å; S543-D546 WeakPolarHBondContact OG-CB 3.34Å; S543-D546 PolarHBondContact OG-N 3.49Å; S543-D546 PolarHBondContact OG-OD2 3.08Å; D546-R549 PolarHBondContact O-N 3.25Å; D546-R549 IonicContact OD1-CZ 3.19Å; D546-R549 IonicContact OD1-NH1 3.79Å; D546-R549 PolarHBondContact OD1-NH1 3.35Å; D546-R549 IonicContact OD1-NH2 2.9Å; D546-N550 PolarHBondContact O-N 3.09Å; D546-N550 VanDerWaalsContact O-N 3.12Å; D546-N550 PolarHBondContact O-ND2 3.14Å; D546-R622 IonicContact OD2-CZ 3.79Å; D546-R622 IonicContact OD2-NH1 3.86Å; D546-R622 PolarHBondContact OD2-NH1 2.9Å; D546-R622 IonicContact OD2-NH2 3.19Å
547	S	89.3	Confident	89.5	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-48.7	175.2	-59.5	0	0	0	0	111.5	R542 S543 D544 A545 R549 N550 I551	R542-S547 VanDerWaalsContact CD-OG 3.31Å; R542-S547 WeakPolarHBondContact CD-OG 3.38Å; R542-S547 WeakPolarHBondContact CG-OG 3.34Å; S543-S547 WeakPolarHBondContact O-CB 3.5Å; S543-S547 PolarHBondContact O-N 3.22Å; S543-S547 PolarHBondContact O-OG 2.9Å; D544-S547 PolarHBondContact O-N 3.36Å; A545-S547 VanDerWaalsContact C-N 3.32Å; A545-S547 PolarHBondContact O-N 2.85Å; S547-R549 VanDerWaalsContact C-N 3.33Å; S547-R549 PolarHBondContact O-N 3.35Å; S547-N550 PolarHBondContact O-N 3.23Å; S547-I551 WeakPolarHBondContact O-CB 3.36Å; S547-I551 WeakPolarHBondContact O-CD1 3.47Å; S547-I551 WeakPolarHBondContact O-CG1 3.34Å; S547-I551 PolarHBondContact O-N 2.84Å
548	R	91	Very high	90.1	Very high	119 Å²	119	58.8 Å²	58.8	45%	0.449	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-42.7	177.7	-77.2	-173	-63.1	-99.2	3.2	112.1	D544 A545 I551 Q552	D544-R548 WeakPolarHBondContact O-CB 3.34Å; D544-R548 VanDerWaalsContact O-CG 3.29Å; D544-R548 WeakPolarHBondContact O-CG 3.11Å; D544-R548 PolarHBondContact O-N 2.89Å; A545-R548 PolarHBondContact O-N 3.5Å; R548-I551 PolarHBondContact O-N 3.28Å; R548-Q552 WeakPolarHBondContact O-CB 3.37Å; R548-Q552 VanDerWaalsContact O-CG 3.25Å; R548-Q552 WeakPolarHBondContact O-CG 3.35Å; R548-Q552 PolarHBondContact O-N 3.14Å
549	R	93.2	Very high	90.8	Very high	145 Å²	145	64.5 Å²	64.5	55%	0.547	31%	0.309	S	S	.	.	H	α-helix	trans	-60.3	-52.8	179.3	-167.7	-171	-57.3	120.8	4.2	111.4	A545 D546 S547 I551 Q552 E553	A545-R549 PolarHBondContact O-N 3.34Å; D546-R549 PolarHBondContact O-N 3.25Å; D546-R549 IonicContact OD1-CZ 3.19Å; D546-R549 IonicContact OD1-NH1 3.79Å; D546-R549 PolarHBondContact OD1-NH1 3.35Å; D546-R549 IonicContact OD1-NH2 2.9Å; S547-R549 VanDerWaalsContact C-N 3.33Å; S547-R549 PolarHBondContact O-N 3.35Å; R549-I551 VanDerWaalsContact C-N 3.32Å; R549-I551 PolarHBondContact O-N 3.07Å; R549-Q552 PolarHBondContact O-N 3.34Å; R549-E553 PolarHBondContact O-N 2.71Å; R549-E553 VanDerWaalsContact O-N 3.08Å
550	N	94.3	Very high	91.3	Very high	22 Å²	22	65.7 Å²	65.7	12%	0.118	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-36.5	179.9	-77.7	-82.4	0	0	0	112.3	D546 S547 E553 F554 A583 Y617	D546-N550 PolarHBondContact O-N 3.09Å; D546-N550 VanDerWaalsContact O-N 3.12Å; D546-N550 PolarHBondContact O-ND2 3.14Å; S547-N550 PolarHBondContact O-N 3.23Å; N550-E553 PolarHBondContact O-N 2.87Å; N550-F554 WeakPolarHBondContact O-CB 3.32Å; N550-F554 PolarHBondContact O-N 3.08Å; N550-A583 WeakPolarHBondContact O-CB 3.49Å; N550-Y617 HydrophobicContact CB-CE1 3.81Å; N550-Y617 VanDerWaalsContact CG-OH 3.24Å; N550-Y617 PolarHBondContact ND2-OH 2.96Å; N550-Y617 VanDerWaalsContact ND2-OH 3.11Å
551	I	94.3	Very high	91.6	Very high	9 Å²	9	70.1 Å²	70.1	5%	0.046	34%	0.341	C	S	.	.	H	α-helix	trans	-70.9	-34.5	179	-68.3	169.6	0	0	0	111.8	S547 R548 R549 K555 T614 R618	S547-I551 WeakPolarHBondContact O-CB 3.36Å; S547-I551 WeakPolarHBondContact O-CD1 3.47Å; S547-I551 WeakPolarHBondContact O-CG1 3.34Å; S547-I551 PolarHBondContact O-N 2.84Å; R548-I551 PolarHBondContact O-N 3.28Å; R549-I551 VanDerWaalsContact C-N 3.32Å; R549-I551 PolarHBondContact O-N 3.07Å; I551-K555 HydrophobicContact CG2-CD 4.43Å; I551-K555 WeakPolarHBondContact O-CB 3.44Å; I551-K555 VanDerWaalsContact O-CG 3.29Å; I551-K555 WeakPolarHBondContact O-CG 3.49Å; I551-K555 PolarHBondContact O-N 3.47Å; I551-T614 HydrophobicContact CB-CG2 4.41Å; I551-T614 HydrophobicContact CD1-CG2 4.22Å; I551-T614 HydrophobicContact CG1-CG2 3.77Å; I551-T614 HydrophobicContact CG2-CG2 4.04Å; I551-R618 HydrophobicContact CD1-CG 4.45Å
552	Q	96.3	Very high	92	Very high	124 Å²	124	67.2 Å²	67.2	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-65.2	-46.2	172.7	-76.1	170.7	-11.8	0	0	111.1	R548 R549 K555 L556	R548-Q552 WeakPolarHBondContact O-CB 3.37Å; R548-Q552 VanDerWaalsContact O-CG 3.25Å; R548-Q552 WeakPolarHBondContact O-CG 3.35Å; R548-Q552 PolarHBondContact O-N 3.14Å; R549-Q552 PolarHBondContact O-N 3.34Å; Q552-K555 PolarHBondContact O-N 2.99Å; Q552-L556 WeakPolarHBondContact O-CG 3.48Å; Q552-L556 PolarHBondContact O-N 3.01Å; Q552-L556 VanDerWaalsContact O-N 3.12Å
553	E	97.3	Very high	92.3	Very high	63 Å²	63	68.1 Å²	68.1	29%	0.294	34%	0.343	S	S	.	.	H	α-helix	trans	-59.4	-46.8	174.4	-174.5	-174.2	156.1	0	0	111.3	R549 N550 K555 L556 L557 T581 A583	R549-E553 PolarHBondContact O-N 2.71Å; R549-E553 VanDerWaalsContact O-N 3.08Å; N550-E553 PolarHBondContact O-N 2.87Å; E553-K555 VanDerWaalsContact C-N 3.34Å; E553-K555 PolarHBondContact O-N 3.08Å; E553-L556 WeakPolarHBondContact O-CB 3.36Å; E553-L556 PolarHBondContact O-N 3.45Å; E553-L557 HydrophobicContact CG-CD1 4.18Å; E553-L557 WeakPolarHBondContact O-CG 3.43Å; E553-L557 PolarHBondContact O-N 3.43Å; E553-T581 WeakPolarHBondContact OE1-CB 3.5Å; E553-T581 WeakPolarHBondContact OE1-CG2 3.35Å; E553-T581 PolarHBondContact OE1-OG1 2.73Å; E553-A583 HydrophobicContact CB-CB 3.65Å; E553-A583 VanDerWaalsContact CD-CB 3.45Å; E553-A583 HydrophobicContact CG-CB 3.58Å
554	F	97.5	Very high	92.9	Very high	1 Å²	1	73.5 Å²	73.5	0%	0.004	36%	0.36	C	S	.	.	H	α-helix	trans	-56.1	-45.7	176.4	165.2	-113.1	0	0	0	112.2	N550 L556 L557 C558 A583 I586 R587 D610 T614	N550-F554 WeakPolarHBondContact O-CB 3.32Å; N550-F554 PolarHBondContact O-N 3.08Å; F554-L556 VanDerWaalsContact C-N 3.26Å; F554-L556 PolarHBondContact O-N 3.29Å; F554-L557 PolarHBondContact O-N 2.87Å; F554-L557 VanDerWaalsContact O-N 3.15Å; F554-C558 WeakPolarHBondContact CE2-SG 3.46Å; F554-C558 VanDerWaalsContact CZ-SG 3.53Å; F554-C558 PolarHBondContact O-N 2.97Å; F554-C558 PolarHBondContact O-SG 3.26Å; F554-A583 HydrophobicContact CB-CB 4.17Å; F554-I586 HydrophobicContact CD1-CG2 4.21Å; F554-I586 HydrophobicContact CD2-CB 3.82Å; F554-I586 HydrophobicContact CD2-CG2 3.53Å; F554-I586 HydrophobicContact CE1-CG2 4.14Å; F554-I586 HydrophobicContact CE2-CB 4.15Å; F554-I586 HydrophobicContact CE2-CG2 3.46Å; F554-I586 VanDerWaalsContact CE2-CG2 3.46Å; F554-I586 HydrophobicContact CG-CB 4.29Å; F554-I586 HydrophobicContact CG-CG2 3.92Å; F554-I586 HydrophobicContact CZ-CG2 3.78Å; F554-R587 HydrophobicContact CD2-CB 4.15Å; F554-R587 HydrophobicContact CE2-CB 4.34Å; F554-D610 HydrophobicContact CE1-CB 3.93Å; F554-D610 HydrophobicContact CZ-CB 4.18Å; F554-T614 HydrophobicContact CD1-CG2 3.59Å; F554-T614 HydrophobicContact CE1-CG2 3.7Å
555	K	95.9	Very high	93.6	Very high	122 Å²	122	77.6 Å²	77.6	53%	0.53	38%	0.378	S	S	.	.	H	α-helix	trans	-62.3	-32.6	176.5	-75.7	176.9	179.9	-172.1	0	113.2	I551 Q552 E553	I551-K555 HydrophobicContact CG2-CD 4.43Å; I551-K555 WeakPolarHBondContact O-CB 3.44Å; I551-K555 VanDerWaalsContact O-CG 3.29Å; I551-K555 WeakPolarHBondContact O-CG 3.49Å; I551-K555 PolarHBondContact O-N 3.47Å; Q552-K555 PolarHBondContact O-N 2.99Å; E553-K555 VanDerWaalsContact C-N 3.34Å; E553-K555 PolarHBondContact O-N 3.08Å
556	L	97.1	Very high	94.1	Very high	107 Å²	107	77 Å²	77	56%	0.56	37%	0.368	S	S	*	.	H	α-helix	trans	-71.1	-43.7	173.8	-67.1	171.5	0	0	0	110.6	Q552 E553 F554 C558 K559	Q552-L556 WeakPolarHBondContact O-CG 3.48Å; Q552-L556 PolarHBondContact O-N 3.01Å; Q552-L556 VanDerWaalsContact O-N 3.12Å; E553-L556 WeakPolarHBondContact O-CB 3.36Å; E553-L556 PolarHBondContact O-N 3.45Å; F554-L556 VanDerWaalsContact C-N 3.26Å; F554-L556 PolarHBondContact O-N 3.29Å; L556-C558 VanDerWaalsContact C-N 3.27Å; L556-C558 PolarHBondContact O-N 2.91Å; L556-K559 WeakPolarHBondContact O-CB 3.45Å; L556-K559 PolarHBondContact O-N 3.36Å; L556-K559 VanDerWaalsContact O-N 3.08Å
557	L	96.5	Very high	94.6	Very high	54 Å²	54	77.7 Å²	77.7	28%	0.283	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-30	177.4	-66.8	170.8	0	0	0	113.1	E553 F554 K559 E560 A583 Q584 R587	E553-L557 HydrophobicContact CG-CD1 4.18Å; E553-L557 WeakPolarHBondContact O-CG 3.43Å; E553-L557 PolarHBondContact O-N 3.43Å; F554-L557 PolarHBondContact O-N 2.87Å; F554-L557 VanDerWaalsContact O-N 3.15Å; L557-K559 PolarHBondContact O-N 2.86Å; L557-E560 PolarHBondContact O-N 3.09Å; L557-A583 HydrophobicContact CD1-CB 4.04Å; L557-Q584 HydrophobicContact CD1-CB 4.37Å; L557-Q584 HydrophobicContact CD1-CG 3.72Å; L557-R587 HydrophobicContact CB-CB 4.31Å; L557-R587 HydrophobicContact CB-CG 4.2Å
558	C	95.6	Very high	94.9	Very high	29 Å²	29	83.5 Å²	83.5	20%	0.196	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-11.2	174.9	-73.9	0	0	0	0	114.3	F554 L556	F554-C558 WeakPolarHBondContact CE2-SG 3.46Å; F554-C558 VanDerWaalsContact CZ-SG 3.53Å; F554-C558 PolarHBondContact O-N 2.97Å; F554-C558 PolarHBondContact O-SG 3.26Å; L556-C558 VanDerWaalsContact C-N 3.27Å; L556-C558 PolarHBondContact O-N 2.91Å
559	K	94.1	Very high	95.1	Very high	153 Å²	153	80.1 Å²	80.1	67%	0.665	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-22.7	177.6	-62.2	-178.4	178.7	-178.6	0	113.1	L556 L557	L556-K559 WeakPolarHBondContact O-CB 3.45Å; L556-K559 PolarHBondContact O-N 3.36Å; L556-K559 VanDerWaalsContact O-N 3.08Å; L557-K559 PolarHBondContact O-N 2.86Å
560	E	91.4	Very high	95.3	Very high	132 Å²	132	73.2 Å²	73.2	62%	0.617	36%	0.364	S	S	*	.	S	Bend	trans	-109.5	149.4	-177.7	-60.6	-59.1	146	0	0	110.5	L557	L557-E560 PolarHBondContact O-N 3.09Å
561	P	93.2	Very high	95.4	Very high	112 Å²	112	76.4 Å²	76.4	73%	0.727	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-65.4	150.9	171.7	28.8	-34.1	0	0	0	111.1
562	V	94.5	Very high	95.4	Very high	23 Å²	23	77.6 Å²	77.6	14%	0.139	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-68.6	138.5	170.5	-176	0	0	0	0	108.9	D566 L567 R587 L588 E591	V562-D566 HydrophobicContact CG1-CB 3.54Å; V562-L567 HydrophobicContact CB-CD2 4.2Å; V562-L567 HydrophobicContact CB-CG 4.35Å; V562-L567 HydrophobicContact CG1-CD2 4Å; V562-L567 HydrophobicContact CG1-CG 4.04Å; V562-R587 HydrophobicContact CG2-CG 4.46Å; V562-R587 VanDerWaalsContact CG2-NH2 3.28Å; V562-L588 HydrophobicContact CG1-CD2 4.06Å; V562-E591 HydrophobicContact CB-CG 4.39Å; V562-E591 HydrophobicContact CG2-CB 4.2Å; V562-E591 HydrophobicContact CG2-CG 3.86Å; V562-E591 WeakPolarHBondContact CG2-OE2 3.2Å
563	S	95.1	Very high	95.4	Very high	44 Å²	44	72.6 Å²	72.6	31%	0.308	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-64.1	152.2	177.5	73.2	0	0	0	0	111.3	E565 D566 L567	S563-E565 PolarHBondContact O-N 3.36Å; S563-D566 PolarHBondContact O-N 3.32Å; S563-D566 VanDerWaalsContact OG-CB 3.3Å; S563-D566 WeakPolarHBondContact OG-CB 3.41Å; S563-D566 PolarHBondContact OG-N 3.39Å; S563-D566 VanDerWaalsContact OG-N 3.12Å; S563-D566 PolarHBondContact OG-OD2 3.32Å; S563-L567 WeakPolarHBondContact O-CG 3.41Å; S563-L567 PolarHBondContact O-N 3.14Å; S563-L567 VanDerWaalsContact O-N 3.1Å
564	K	94.7	Very high	95.3	Very high	161 Å²	161	73 Å²	73	70%	0.7	37%	0.369	S	S	*	.	H	α-helix	trans	-63.3	-35.5	178.2	-71.5	-176.6	178.7	179	0	111.4	L567 I568	K564-L567 PolarHBondContact O-N 3.24Å; K564-I568 VanDerWaalsContact O-CG1 3.31Å; K564-I568 WeakPolarHBondContact O-CG1 3.47Å; K564-I568 PolarHBondContact O-N 3.35Å
565	E	95	Very high	95.3	Very high	134 Å²	134	73 Å²	73	63%	0.626	37%	0.369	S	S	*	.	H	α-helix	trans	-61.8	-45.6	177.2	-65.6	67.6	-149.5	0	0	110.7	S563 L567 I568 E569	S563-E565 PolarHBondContact O-N 3.36Å; E565-L567 VanDerWaalsContact C-N 3.35Å; E565-L567 PolarHBondContact O-N 3.24Å; E565-I568 PolarHBondContact O-N 3.47Å; E565-E569 PolarHBondContact O-N 2.74Å
566	D	94.8	Very high	95.3	Very high	36 Å²	36	69 Å²	69	19%	0.193	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-38.9	176.2	-68.1	-31.7	0	0	0	111.8	V562 S563 E569 L570 R580 L588	V562-D566 HydrophobicContact CG1-CB 3.54Å; S563-D566 PolarHBondContact O-N 3.32Å; S563-D566 VanDerWaalsContact OG-CB 3.3Å; S563-D566 WeakPolarHBondContact OG-CB 3.41Å; S563-D566 PolarHBondContact OG-N 3.39Å; S563-D566 VanDerWaalsContact OG-N 3.12Å; S563-D566 PolarHBondContact OG-OD2 3.32Å; D566-E569 PolarHBondContact O-N 3.39Å; D566-L570 VanDerWaalsContact O-CB 3.24Å; D566-L570 WeakPolarHBondContact O-CB 3.46Å; D566-L570 PolarHBondContact O-N 3.32Å; D566-R580 IonicContact OD1-CZ 3.73Å; D566-R580 IonicContact OD1-NH1 2.71Å; D566-R580 PolarHBondContact OD1-NH1 3.27Å; D566-R580 IonicContact OD1-NH2 3.23Å; D566-R580 PolarHBondContact OD1-NH2 2.92Å; D566-R580 IonicContact OD2-NH1 3.68Å; D566-L588 HydrophobicContact CB-CD2 4.47Å
567	L	95	Very high	95.3	Very high	38 Å²	38	63.9 Å²	63.9	20%	0.199	33%	0.327	C	S	.	.	H	α-helix	trans	-64.6	-41	176.6	-68.1	175.4	0	0	0	112.3	V562 S563 K564 E565 L570 R571 E591 E595	V562-L567 HydrophobicContact CB-CD2 4.2Å; V562-L567 HydrophobicContact CB-CG 4.35Å; V562-L567 HydrophobicContact CG1-CD2 4Å; V562-L567 HydrophobicContact CG1-CG 4.04Å; S563-L567 WeakPolarHBondContact O-CG 3.41Å; S563-L567 PolarHBondContact O-N 3.14Å; S563-L567 VanDerWaalsContact O-N 3.1Å; K564-L567 PolarHBondContact O-N 3.24Å; E565-L567 VanDerWaalsContact C-N 3.35Å; E565-L567 PolarHBondContact O-N 3.24Å; L567-L570 PolarHBondContact O-N 3.45Å; L567-R571 PolarHBondContact O-N 3.33Å; L567-E591 HydrophobicContact CD2-CG 3.51Å; L567-E595 HydrophobicContact CD2-CG 4.49Å
568	I	95.7	Very high	95.3	Very high	125 Å²	125	64.5 Å²	64.5	64%	0.641	33%	0.326	S	S	*	.	H	α-helix	trans	-65	-45.5	175.5	-68.3	165.4	0	0	0	110	K564 E565 L570 R571 S572	K564-I568 VanDerWaalsContact O-CG1 3.31Å; K564-I568 WeakPolarHBondContact O-CG1 3.47Å; K564-I568 PolarHBondContact O-N 3.35Å; E565-I568 PolarHBondContact O-N 3.47Å; I568-L570 VanDerWaalsContact C-N 3.31Å; I568-L570 PolarHBondContact O-N 3.1Å; I568-R571 PolarHBondContact O-N 2.74Å; I568-S572 PolarHBondContact O-N 3.44Å
569	E	95.7	Very high	95.2	Very high	48 Å²	48	66.9 Å²	66.9	22%	0.224	34%	0.343	C	S	.	.	H	α-helix	trans	-62.5	-40.2	177.3	-159.8	-169	167.3	0	0	111.1	E565 D566 R571 S572 F575 N576 R580	E565-E569 PolarHBondContact O-N 2.74Å; D566-E569 PolarHBondContact O-N 3.39Å; E569-R571 PolarHBondContact O-N 3.08Å; E569-S572 WeakPolarHBondContact O-CB 3.28Å; E569-S572 PolarHBondContact O-N 2.92Å; E569-F575 HydrophobicContact CB-CD2 4.12Å; E569-F575 HydrophobicContact CG-CB 4.4Å; E569-F575 HydrophobicContact CG-CD2 3.68Å; E569-F575 HydrophobicContact CG-CE2 4.38Å; E569-F575 HydrophobicContact CG-CG 4.38Å; E569-N576 PolarHBondContact OE1-N 2.9Å; E569-R580 IonicContact OE2-CZ 2.73Å; E569-R580 IonicContact OE2-NH2 3.9Å; E569-R580 PolarHBondContact OE2-NH2 2.96Å
570	L	97	Very high	95.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-32.6	-179.6	-166.5	64.5	0	0	0	112.8	D566 L567 I568 S572 F575 L588 M592 F632 Q636 Y639	D566-L570 VanDerWaalsContact O-CB 3.24Å; D566-L570 WeakPolarHBondContact O-CB 3.46Å; D566-L570 PolarHBondContact O-N 3.32Å; L567-L570 PolarHBondContact O-N 3.45Å; I568-L570 VanDerWaalsContact C-N 3.31Å; I568-L570 PolarHBondContact O-N 3.1Å; L570-S572 VanDerWaalsContact C-N 3.31Å; L570-F575 HydrophobicContact CD1-CD2 4.46Å; L570-F575 HydrophobicContact CD1-CE2 4.22Å; L570-L588 HydrophobicContact CD1-CB 4Å; L570-L588 HydrophobicContact CD1-CD1 4.24Å; L570-L588 HydrophobicContact CD1-CD2 4.33Å; L570-L588 HydrophobicContact CD1-CG 4.41Å; L570-L588 HydrophobicContact CD2-CB 4.41Å; L570-L588 HydrophobicContact CD2-CD2 4.21Å; L570-M592 HydrophobicContact CD1-CE 3.51Å; L570-M592 HydrophobicContact CD2-CE 4.29Å; L570-M592 HydrophobicContact CD2-CG 4.03Å; L570-M592 HydrophobicContact CG-CE 4.06Å; L570-F632 HydrophobicContact CD1-CZ 4.06Å; L570-Q636 HydrophobicContact CD1-CG 3.99Å; L570-Q636 PolarHBondContact O-NE2 2.87Å; L570-Y639 HydrophobicContact CD2-CE1 4.25Å; L570-Y639 HydrophobicContact CG-CD1 4.25Å; L570-Y639 HydrophobicContact CG-CE1 4.02Å
571	R	96	Very high	95.6	Very high	90 Å²	90	57.7 Å²	57.7	34%	0.34	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	0.3	175	-69.8	-179	-176.9	-132.4	4.3	113.7	L567 I568 E569 E595 Y639 W643	L567-R571 PolarHBondContact O-N 3.33Å; I568-R571 PolarHBondContact O-N 2.74Å; E569-R571 PolarHBondContact O-N 3.08Å; R571-E595 IonicContact CZ-OE2 2.77Å; R571-E595 IonicContact NE-OE2 3.14Å; R571-E595 IonicContact NH2-OE2 2.66Å; R571-E595 PolarHBondContact NH2-OE2 3.44Å; R571-Y639 HydrophobicContact CB-CE1 4.42Å; R571-Y639 HydrophobicContact CG-CD1 4.47Å; R571-Y639 HydrophobicContact CG-CE1 3.5Å; R571-Y639 VanDerWaalsContact CG-CE1 3.5Å; R571-Y639 PolarHBondContact NE-OH 2.92Å; R571-W643 VanDerWaalsContact NH1-CE2 3.32Å; R571-W643 VanDerWaalsContact NH1-CZ3 3.32Å
572	S	96	Very high	95.7	Very high	33 Å²	33	53.7 Å²	53.7	23%	0.231	28%	0.277	C	S	.	.	S	Bend	trans	-100.3	140.3	179.9	-174.2	0	0	0	0	112.6	I568 E569 L570 T574 F575 Q636	I568-S572 PolarHBondContact O-N 3.44Å; E569-S572 WeakPolarHBondContact O-CB 3.28Å; E569-S572 PolarHBondContact O-N 2.92Å; L570-S572 VanDerWaalsContact C-N 3.31Å; S572-T574 PolarHBondContact O-N 3.38Å; S572-T574 PolarHBondContact OG-N 3.27Å; S572-T574 VanDerWaalsContact OG-N 3.14Å; S572-T574 PolarHBondContact OG-OG1 3.39Å; S572-F575 PolarHBondContact O-N 2.6Å; S572-Q636 PolarHBondContact O-NE2 3.41Å
573	S	94.8	Very high	95.9	Very high	19 Å²	19	52.6 Å²	52.6	13%	0.133	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16.1	168.8	55	0	0	0	0	112.8	F575 R797	S573-F575 VanDerWaalsContact C-N 3.34Å; S573-F575 PolarHBondContact O-N 3.08Å; S573-R797 PolarHBondContact O-NH1 3.5Å; S573-R797 VanDerWaalsContact O-NH1 3.09Å
574	T	95.6	Very high	96	Very high	72 Å²	72	53.3 Å²	53.3	44%	0.442	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	3.1	179.5	66.2	0	0	0	0	115	S572 N576 P798	S572-T574 PolarHBondContact O-N 3.38Å; S572-T574 PolarHBondContact OG-N 3.27Å; S572-T574 VanDerWaalsContact OG-N 3.14Å; S572-T574 PolarHBondContact OG-OG1 3.39Å; T574-N576 PolarHBondContact O-N 3.39Å; T574-P798 HydrophobicContact CG2-CG 3.78Å
575	F	97.4	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.			trans	-49.1	131.4	179.9	-177.3	-86.2	0	0	0	112.7	E569 L570 S572 S573 N577 R580 L585 L588 F632 M633 Q636	E569-F575 HydrophobicContact CB-CD2 4.12Å; E569-F575 HydrophobicContact CG-CB 4.4Å; E569-F575 HydrophobicContact CG-CD2 3.68Å; E569-F575 HydrophobicContact CG-CE2 4.38Å; E569-F575 HydrophobicContact CG-CG 4.38Å; L570-F575 HydrophobicContact CD1-CD2 4.46Å; L570-F575 HydrophobicContact CD1-CE2 4.22Å; S572-F575 PolarHBondContact O-N 2.6Å; S573-F575 VanDerWaalsContact C-N 3.34Å; S573-F575 PolarHBondContact O-N 3.08Å; F575-N577 HydrophobicContact CD1-CB 4.49Å; F575-N577 HydrophobicContact CE1-CB 4.13Å; F575-R580 HydrophobicContact CE1-CG 4.45Å; F575-R580 HydrophobicContact CZ-CG 4.02Å; F575-L585 HydrophobicContact CE1-CD2 4.18Å; F575-L585 HydrophobicContact CZ-CD2 4.23Å; F575-L588 HydrophobicContact CE2-CD1 3.86Å; F575-L588 HydrophobicContact CZ-CD1 3.62Å; F575-F632 AromaticContact CD1-CE1 3.81Å; F575-F632 HydrophobicContact CD1-CE1 3.81Å; F575-F632 HydrophobicContact CD1-CZ 4.39Å; F575-F632 HydrophobicContact CE1-CD1 4.38Å; F575-F632 AromaticContact CE1-CE1 3.29Å; F575-F632 HydrophobicContact CE1-CE1 3.29Å; F575-F632 AromaticContact CE1-CZ 3.71Å; F575-F632 HydrophobicContact CE1-CZ 3.71Å; F575-F632 AromaticContact CZ-CE1 3.88Å; F575-F632 HydrophobicContact CZ-CE1 3.88Å; F575-F632 AromaticContact CZ-CZ 3.79Å; F575-F632 HydrophobicContact CZ-CZ 3.79Å; F575-M633 HydrophobicContact CD1-SD 4.18Å; F575-Q636 HydrophobicContact CB-CG 4.5Å; F575-Q636 HydrophobicContact CG-CG 4.39Å
576	N	96.6	Very high	96.3	Very high	39 Å²	39	39.2 Å²	39.2	21%	0.209	21%	0.205	C	C	.	.			trans	-104.8	107.2	179.8	-175.3	-1.1	0	0	0	111.8	E569 T574 W578 S579 V801	E569-N576 PolarHBondContact OE1-N 2.9Å; T574-N576 PolarHBondContact O-N 3.39Å; N576-W578 WeakPolarHBondContact OD1-CB 3.37Å; N576-W578 PolarHBondContact OD1-N 3.23Å; N576-S579 PolarHBondContact O-OG 3.43Å; N576-V801 HydrophobicContact CB-CG2 3.93Å
577	N	96.9	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-78	-16	178.2	67.2	-46.9	0	0	0	114.8	F575 S579 R580 K629 M633 W805	F575-N577 HydrophobicContact CD1-CB 4.49Å; F575-N577 HydrophobicContact CE1-CB 4.13Å; N577-S579 VanDerWaalsContact C-N 3.31Å; N577-S579 PolarHBondContact O-N 2.83Å; N577-R580 PolarHBondContact O-N 2.97Å; N577-K629 PolarHBondContact O-NZ 2.73Å; N577-M633 HydrophobicContact CB-CE 4.21Å; N577-M633 HydrophobicContact CB-CG 4.19Å; N577-M633 HydrophobicContact CB-SD 3.55Å; N577-M633 VanDerWaalsContact CB-SD 3.55Å; N577-W805 WeakPolarHBondContact ND2-CZ2 3.36Å
578	W	96.7	Very high	96.6	Very high	66 Å²	66	37 Å²	37	25%	0.25	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-73.2	-25.4	-174.8	-57.4	120.3	0	0	0	112.7	N576 R580 K629 V801 P804 W805	N576-W578 WeakPolarHBondContact OD1-CB 3.37Å; N576-W578 PolarHBondContact OD1-N 3.23Å; W578-R580 VanDerWaalsContact C-N 3.28Å; W578-K629 HydrophobicContact CZ3-CD 4.21Å; W578-V801 PolarHBondContact NE1-O 3.45Å; W578-P804 HydrophobicContact CD2-CB 4.43Å; W578-P804 HydrophobicContact CH2-CB 4.4Å; W578-P804 HydrophobicContact CZ2-CB 3.65Å; W578-P804 HydrophobicContact CZ2-CG 4.49Å; W578-W805 AromaticContact CH2-CD2 3.88Å; W578-W805 HydrophobicContact CH2-CD2 3.88Å; W578-W805 AromaticContact CH2-CE2 3.65Å; W578-W805 HydrophobicContact CH2-CE3 4.25Å; W578-W805 HydrophobicContact CH2-CG 4.37Å; W578-W805 HydrophobicContact CH2-CH2 4.18Å; W578-W805 AromaticContact CH2-CZ2 3.84Å; W578-W805 HydrophobicContact CH2-CZ2 3.84Å; W578-W805 HydrophobicContact CH2-CZ3 4.39Å; W578-W805 AromaticContact CZ2-CD1 3.61Å; W578-W805 AromaticContact CZ2-CD2 3.77Å; W578-W805 HydrophobicContact CZ2-CD2 3.77Å; W578-W805 AromaticContact CZ2-CE2 3.55Å; W578-W805 AromaticContact CZ2-CG 3.8Å; W578-W805 HydrophobicContact CZ2-CG 3.8Å; W578-W805 HydrophobicContact CZ2-CZ2 4.16Å; W578-W805 AromaticContact CZ2-NE1 3.42Å
579	S	93.6	Very high	96.8	Very high	79 Å²	79	31 Å²	31	55%	0.552	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-82	-3.9	174.7	55.3	0	0	0	0	113.7	N576 N577	N576-S579 PolarHBondContact O-OG 3.43Å; N577-S579 VanDerWaalsContact C-N 3.31Å; N577-S579 PolarHBondContact O-N 2.83Å
580	R	96	Very high	96.9	Very high	40 Å²	40	30 Å²	30	15%	0.151	16%	0.155	C	C	.	.	S	Bend	trans	-108.8	138.6	-171.9	-53.5	-62	-177.2	160.8	0.9	112.4	D566 E569 F575 N577 W578 Q584 L585 K629	D566-R580 IonicContact OD1-CZ 3.73Å; D566-R580 IonicContact OD1-NH1 2.71Å; D566-R580 PolarHBondContact OD1-NH1 3.27Å; D566-R580 IonicContact OD1-NH2 3.23Å; D566-R580 PolarHBondContact OD1-NH2 2.92Å; D566-R580 IonicContact OD2-NH1 3.68Å; E569-R580 IonicContact OE2-CZ 2.73Å; E569-R580 IonicContact OE2-NH2 3.9Å; E569-R580 PolarHBondContact OE2-NH2 2.96Å; F575-R580 HydrophobicContact CE1-CG 4.45Å; F575-R580 HydrophobicContact CZ-CG 4.02Å; N577-R580 PolarHBondContact O-N 2.97Å; W578-R580 VanDerWaalsContact C-N 3.28Å; R580-Q584 VanDerWaalsContact CA-OE1 3.25Å; R580-Q584 HydrophobicContact CB-CB 4.36Å; R580-L585 HydrophobicContact CB-CD2 3.62Å; R580-L585 HydrophobicContact CB-CG 4.11Å; R580-L585 HydrophobicContact CG-CD2 4.12Å; R580-K629 PolarHBondContact O-NZ 3.17Å
581	T	96.6	Very high	96.9	Very high	53 Å²	53	31 Å²	31	33%	0.325	16%	0.16	S	C	.	.			trans	-71.1	157.6	169	68.4	0	0	0	0	110.3	E553 A583 Q584 L585	E553-T581 WeakPolarHBondContact OE1-CB 3.5Å; E553-T581 WeakPolarHBondContact OE1-CG2 3.35Å; E553-T581 PolarHBondContact OE1-OG1 2.73Å; T581-A583 PolarHBondContact O-N 3.45Å; T581-Q584 PolarHBondContact O-N 2.91Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.4Å; T581-Q584 PolarHBondContact OG1-N 3.46Å; T581-L585 WeakPolarHBondContact O-CG 3.45Å; T581-L585 PolarHBondContact O-N 2.73Å; T581-L585 VanDerWaalsContact O-N 3.09Å
582	D	96.9	Very high	97	Very high	28 Å²	28	26.7 Å²	26.7	15%	0.15	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-35.4	176.3	-67.9	-10.2	0	0	0	110.9	R542 Q584 L585 I586 Y617 K629	R542-D582 IonicContact NH1-OD2 2.97Å; R542-D582 PolarHBondContact NH1-OD2 3.3Å; D582-Q584 PolarHBondContact O-N 3.12Å; D582-L585 WeakPolarHBondContact O-CB 3.31Å; D582-L585 PolarHBondContact O-N 3.01Å; D582-L585 VanDerWaalsContact O-N 3.16Å; D582-I586 VanDerWaalsContact O-CG1 3.31Å; D582-I586 WeakPolarHBondContact O-CG1 3.26Å; D582-I586 PolarHBondContact O-N 2.86Å; D582-Y617 HydrophobicContact CB-CD2 4.45Å; D582-Y617 HydrophobicContact CB-CE2 3.51Å; D582-Y617 VanDerWaalsContact OD2-CE2 3.29Å; D582-Y617 WeakPolarHBondContact OD2-CE2 3.42Å; D582-Y617 PolarHBondContact OD2-OH 3.15Å; D582-K629 WeakPolarHBondContact OD1-CE 3.37Å; D582-K629 IonicContact OD1-NZ 3.78Å
583	A	97.7	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.3	-42.7	174.9	0	0	0	0	0	113.4	N550 E553 F554 L557 T581 L585 I586 R587	N550-A583 WeakPolarHBondContact O-CB 3.49Å; E553-A583 HydrophobicContact CB-CB 3.65Å; E553-A583 VanDerWaalsContact CD-CB 3.45Å; E553-A583 HydrophobicContact CG-CB 3.58Å; F554-A583 HydrophobicContact CB-CB 4.17Å; L557-A583 HydrophobicContact CD1-CB 4.04Å; T581-A583 PolarHBondContact O-N 3.45Å; A583-L585 VanDerWaalsContact C-N 3.33Å; A583-I586 PolarHBondContact O-N 3.41Å; A583-R587 PolarHBondContact O-N 3.44Å
584	Q	97.5	Very high	97.3	Very high	58 Å²	58	28.2 Å²	28.2	27%	0.271	15%	0.145	S	C	.	.	H	α-helix	trans	-62.6	-40.7	172.9	-73.2	171.5	-29	0	0	111.4	L557 R580 T581 D582 R587 L588	L557-Q584 HydrophobicContact CD1-CB 4.37Å; L557-Q584 HydrophobicContact CD1-CG 3.72Å; R580-Q584 VanDerWaalsContact CA-OE1 3.25Å; R580-Q584 HydrophobicContact CB-CB 4.36Å; T581-Q584 PolarHBondContact O-N 2.91Å; T581-Q584 WeakPolarHBondContact OG1-CG 3.4Å; T581-Q584 PolarHBondContact OG1-N 3.46Å; D582-Q584 PolarHBondContact O-N 3.12Å; Q584-R587 WeakPolarHBondContact O-CB 3.39Å; Q584-R587 PolarHBondContact O-N 3Å; Q584-L588 VanDerWaalsContact O-CG 3.32Å; Q584-L588 WeakPolarHBondContact O-CG 3.21Å; Q584-L588 PolarHBondContact O-N 3.25Å
585	L	98.2	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-42.9	176.5	-61.9	-175.6	0	0	0	111.9	F575 R580 T581 D582 A583 R587 L588 V589 Y628 K629 F632	F575-L585 HydrophobicContact CE1-CD2 4.18Å; F575-L585 HydrophobicContact CZ-CD2 4.23Å; R580-L585 HydrophobicContact CB-CD2 3.62Å; R580-L585 HydrophobicContact CB-CG 4.11Å; R580-L585 HydrophobicContact CG-CD2 4.12Å; T581-L585 WeakPolarHBondContact O-CG 3.45Å; T581-L585 PolarHBondContact O-N 2.73Å; T581-L585 VanDerWaalsContact O-N 3.09Å; D582-L585 WeakPolarHBondContact O-CB 3.31Å; D582-L585 PolarHBondContact O-N 3.01Å; D582-L585 VanDerWaalsContact O-N 3.16Å; A583-L585 VanDerWaalsContact C-N 3.33Å; L585-R587 VanDerWaalsContact C-N 3.32Å; L585-R587 PolarHBondContact O-N 3.29Å; L585-L588 HydrophobicContact CD2-CD1 4.46Å; L585-L588 PolarHBondContact O-N 2.83Å; L585-V589 WeakPolarHBondContact O-CG2 3.23Å; L585-V589 PolarHBondContact O-N 2.72Å; L585-Y628 HydrophobicContact CB-CE1 4.14Å; L585-K629 HydrophobicContact CD1-CG 3.8Å; L585-F632 HydrophobicContact CB-CB 4.45Å; L585-F632 HydrophobicContact CB-CD2 3.7Å; L585-F632 HydrophobicContact CB-CE2 4.14Å; L585-F632 HydrophobicContact CB-CG 3.98Å; L585-F632 HydrophobicContact CD1-CB 4.24Å; L585-F632 HydrophobicContact CD1-CD1 4.19Å; L585-F632 HydrophobicContact CD1-CG 4.06Å; L585-F632 HydrophobicContact CD2-CD1 3.73Å; L585-F632 HydrophobicContact CD2-CD2 4.02Å; L585-F632 HydrophobicContact CD2-CE1 3.64Å; L585-F632 HydrophobicContact CD2-CE2 3.9Å; L585-F632 HydrophobicContact CD2-CG 3.94Å; L585-F632 HydrophobicContact CD2-CZ 3.71Å; L585-F632 HydrophobicContact CG-CD1 4.39Å; L585-F632 HydrophobicContact CG-CD2 4.29Å; L585-F632 HydrophobicContact CG-CG 4.2Å
586	I	98.2	Very high	97.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-44.2	173.9	-59.2	162.6	0	0	0	110.4	F554 D582 A583 L588 V589 R590 L613 Y617 Y628	F554-I586 HydrophobicContact CD1-CG2 4.21Å; F554-I586 HydrophobicContact CD2-CB 3.82Å; F554-I586 HydrophobicContact CD2-CG2 3.53Å; F554-I586 HydrophobicContact CE1-CG2 4.14Å; F554-I586 HydrophobicContact CE2-CB 4.15Å; F554-I586 HydrophobicContact CE2-CG2 3.46Å; F554-I586 VanDerWaalsContact CE2-CG2 3.46Å; F554-I586 HydrophobicContact CG-CB 4.29Å; F554-I586 HydrophobicContact CG-CG2 3.92Å; F554-I586 HydrophobicContact CZ-CG2 3.78Å; D582-I586 VanDerWaalsContact O-CG1 3.31Å; D582-I586 WeakPolarHBondContact O-CG1 3.26Å; D582-I586 PolarHBondContact O-N 2.86Å; A583-I586 PolarHBondContact O-N 3.41Å; I586-L588 VanDerWaalsContact C-N 3.29Å; I586-L588 PolarHBondContact O-N 3.09Å; I586-V589 PolarHBondContact O-N 2.89Å; I586-R590 PolarHBondContact O-N 2.99Å; I586-R590 VanDerWaalsContact O-N 3.09Å; I586-L613 HydrophobicContact CG2-CB 4.02Å; I586-Y617 HydrophobicContact CD1-CD1 4.16Å; I586-Y617 HydrophobicContact CD1-CD2 3.97Å; I586-Y617 HydrophobicContact CD1-CG 3.74Å; I586-Y617 HydrophobicContact CG1-CD2 4.41Å; I586-Y617 HydrophobicContact CG1-CG 4.47Å; I586-Y628 WeakPolarHBondContact CA-OH 3.34Å; I586-Y628 HydrophobicContact CG1-CE1 3.73Å; I586-Y628 VanDerWaalsContact CG1-OH 3.27Å; I586-Y628 WeakPolarHBondContact CG1-OH 3.49Å
587	R	97.9	Very high	97.4	Very high	21 Å²	21	27.9 Å²	27.9	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-38.2	176.8	177	63.8	-171.2	88	-6.6	112.5	F554 L557 V562 A583 Q584 L585 R590 E591	F554-R587 HydrophobicContact CD2-CB 4.15Å; F554-R587 HydrophobicContact CE2-CB 4.34Å; L557-R587 HydrophobicContact CB-CB 4.31Å; L557-R587 HydrophobicContact CB-CG 4.2Å; V562-R587 HydrophobicContact CG2-CG 4.46Å; V562-R587 VanDerWaalsContact CG2-NH2 3.28Å; A583-R587 PolarHBondContact O-N 3.44Å; Q584-R587 WeakPolarHBondContact O-CB 3.39Å; Q584-R587 PolarHBondContact O-N 3Å; L585-R587 VanDerWaalsContact C-N 3.32Å; L585-R587 PolarHBondContact O-N 3.29Å; R587-R590 WeakPolarHBondContact O-CB 3.4Å; R587-R590 PolarHBondContact O-N 3Å; R587-E591 IonicContact CZ-OE2 3.76Å; R587-E591 VanDerWaalsContact CZ-OE2 3.25Å; R587-E591 IonicContact NH1-OE2 3.56Å; R587-E591 PolarHBondContact NH1-OE2 3.13Å; R587-E591 IonicContact NH2-OE2 3.85Å; R587-E591 PolarHBondContact NH2-OE2 2.9Å; R587-E591 PolarHBondContact O-N 2.91Å; R587-E591 VanDerWaalsContact O-N 3.1Å
588	L	98.3	Very high	97.5	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-72.5	-34.7	178	-68.5	171.8	0	0	0	112.2	V562 D566 L570 F575 Q584 L585 I586 E591 M592 F632	V562-L588 HydrophobicContact CG1-CD2 4.06Å; D566-L588 HydrophobicContact CB-CD2 4.47Å; L570-L588 HydrophobicContact CD1-CB 4Å; L570-L588 HydrophobicContact CD1-CD1 4.24Å; L570-L588 HydrophobicContact CD1-CD2 4.33Å; L570-L588 HydrophobicContact CD1-CG 4.41Å; L570-L588 HydrophobicContact CD2-CB 4.41Å; L570-L588 HydrophobicContact CD2-CD2 4.21Å; F575-L588 HydrophobicContact CE2-CD1 3.86Å; F575-L588 HydrophobicContact CZ-CD1 3.62Å; Q584-L588 VanDerWaalsContact O-CG 3.32Å; Q584-L588 WeakPolarHBondContact O-CG 3.21Å; Q584-L588 PolarHBondContact O-N 3.25Å; L585-L588 HydrophobicContact CD2-CD1 4.46Å; L585-L588 PolarHBondContact O-N 2.83Å; I586-L588 VanDerWaalsContact C-N 3.29Å; I586-L588 PolarHBondContact O-N 3.09Å; L588-E591 WeakPolarHBondContact O-CB 3.39Å; L588-E591 PolarHBondContact O-N 3.25Å; L588-E591 VanDerWaalsContact O-N 3.14Å; L588-M592 WeakPolarHBondContact O-CG 3.49Å; L588-M592 PolarHBondContact O-N 3.36Å; L588-F632 HydrophobicContact CB-CE2 3.85Å; L588-F632 HydrophobicContact CB-CZ 4.29Å; L588-F632 HydrophobicContact CD1-CE2 4.4Å; L588-F632 HydrophobicContact CD1-CZ 4.15Å
589	V	98.6	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.7	-44.7	171.7	177.9	0	0	0	0	110.7	L585 I586 E591 M592 F593 L613 F632 I664	L585-V589 WeakPolarHBondContact O-CG2 3.23Å; L585-V589 PolarHBondContact O-N 2.72Å; I586-V589 PolarHBondContact O-N 2.89Å; V589-E591 PolarHBondContact O-N 2.81Å; V589-M592 WeakPolarHBondContact O-CB 3.48Å; V589-M592 PolarHBondContact O-N 3.32Å; V589-M592 VanDerWaalsContact O-N 3.08Å; V589-F593 HydrophobicContact CG1-CD2 4.37Å; V589-F593 HydrophobicContact CG1-CE2 4.21Å; V589-F593 WeakPolarHBondContact O-CD2 3.34Å; V589-F593 PolarHBondContact O-N 3.22Å; V589-L613 HydrophobicContact CG1-CD1 4.48Å; V589-L613 HydrophobicContact CG1-CD2 3.69Å; V589-F632 HydrophobicContact CG2-CD2 3.77Å; V589-F632 HydrophobicContact CG2-CE2 4.2Å; V589-I664 HydrophobicContact CG1-CD1 4.44Å; V589-I664 HydrophobicContact CG1-CG1 4.33Å; V589-I664 HydrophobicContact CG2-CD1 4.03Å
590	R	98.2	Very high	97.7	Very high	26 Å²	26	29.7 Å²	29.7	10%	0.098	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-36.7	173	-174.7	-171.7	179.4	-84.8	6.8	112	I586 R587 F593 Q594 L609 D610 L613	I586-R590 PolarHBondContact O-N 2.99Å; I586-R590 VanDerWaalsContact O-N 3.09Å; R587-R590 WeakPolarHBondContact O-CB 3.4Å; R587-R590 PolarHBondContact O-N 3Å; R590-F593 WeakPolarHBondContact O-CB 3.42Å; R590-F593 PolarHBondContact O-N 3.19Å; R590-Q594 PolarHBondContact O-N 3.01Å; R590-L609 HydrophobicContact CG-CD2 4.17Å; R590-D610 WeakPolarHBondContact CD-OD1 3.32Å; R590-D610 IonicContact NE-OD1 3.59Å; R590-D610 PolarHBondContact NE-OD1 2.98Å; R590-D610 IonicContact NE-OD2 2.67Å; R590-L613 HydrophobicContact CB-CD1 3.77Å; R590-L613 HydrophobicContact CG-CD1 4.41Å
591	E	98	Very high	97.8	Very high	20 Å²	20	33.1 Å²	33.1	9%	0.093	16%	0.164	C	C	.	.	H	α-helix	trans	-68	-37.3	176	-161.9	59.3	-147.5	0	0	112.5	V562 L567 R587 L588 V589 F593 Q594 E595	V562-E591 HydrophobicContact CB-CG 4.39Å; V562-E591 HydrophobicContact CG2-CB 4.2Å; V562-E591 HydrophobicContact CG2-CG 3.86Å; V562-E591 WeakPolarHBondContact CG2-OE2 3.2Å; L567-E591 HydrophobicContact CD2-CG 3.51Å; R587-E591 IonicContact CZ-OE2 3.76Å; R587-E591 VanDerWaalsContact CZ-OE2 3.25Å; R587-E591 IonicContact NH1-OE2 3.56Å; R587-E591 PolarHBondContact NH1-OE2 3.13Å; R587-E591 IonicContact NH2-OE2 3.85Å; R587-E591 PolarHBondContact NH2-OE2 2.9Å; R587-E591 PolarHBondContact O-N 2.91Å; R587-E591 VanDerWaalsContact O-N 3.1Å; L588-E591 WeakPolarHBondContact O-CB 3.39Å; L588-E591 PolarHBondContact O-N 3.25Å; L588-E591 VanDerWaalsContact O-N 3.14Å; V589-E591 PolarHBondContact O-N 2.81Å; E591-F593 VanDerWaalsContact C-N 3.26Å; E591-F593 PolarHBondContact O-N 2.95Å; E591-Q594 WeakPolarHBondContact O-CB 3.17Å; E591-Q594 PolarHBondContact O-N 2.89Å; E591-E595 HydrophobicContact CG-CG 4.27Å; E591-E595 WeakPolarHBondContact O-CB 3.33Å; E591-E595 PolarHBondContact O-N 3.01Å
592	M	98.5	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.6	-38.7	173.3	-61.9	173.8	-166.5	0	0	111.7	L570 L588 V589 Q594 L596 F632 T635 Q636 Y639	L570-M592 HydrophobicContact CD1-CE 3.51Å; L570-M592 HydrophobicContact CD2-CE 4.29Å; L570-M592 HydrophobicContact CD2-CG 4.03Å; L570-M592 HydrophobicContact CG-CE 4.06Å; L588-M592 WeakPolarHBondContact O-CG 3.49Å; L588-M592 PolarHBondContact O-N 3.36Å; V589-M592 WeakPolarHBondContact O-CB 3.48Å; V589-M592 PolarHBondContact O-N 3.32Å; V589-M592 VanDerWaalsContact O-N 3.08Å; M592-Q594 VanDerWaalsContact C-N 3.3Å; M592-Q594 PolarHBondContact O-N 2.87Å; M592-L596 VanDerWaalsContact O-CB 3.31Å; M592-L596 WeakPolarHBondContact O-CB 3.46Å; M592-L596 WeakPolarHBondContact O-CG 3.44Å; M592-L596 PolarHBondContact O-N 3.06Å; M592-F632 HydrophobicContact CE-CE2 4.04Å; M592-F632 HydrophobicContact CE-CZ 4.28Å; M592-T635 HydrophobicContact SD-CG2 3.78Å; M592-Q636 HydrophobicContact CE-CB 3.81Å; M592-Q636 HydrophobicContact CE-CG 4.03Å; M592-Y639 HydrophobicContact CB-CD2 3.84Å; M592-Y639 HydrophobicContact CB-CE2 4.03Å; M592-Y639 HydrophobicContact CG-CD1 4.35Å; M592-Y639 HydrophobicContact CG-CD2 3.68Å; M592-Y639 HydrophobicContact CG-CE2 3.99Å; M592-Y639 HydrophobicContact CG-CG 3.89Å; M592-Y639 HydrophobicContact SD-CD2 4.3Å; M592-Y639 HydrophobicContact SD-CG 4.1Å
593	F	98.4	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-34.8	174.8	-86.2	-112.3	0	0	0	112.8	V589 R590 E591 F598 I599 I604 L609 W612 L657 I660 V661 F715	V589-F593 HydrophobicContact CG1-CD2 4.37Å; V589-F593 HydrophobicContact CG1-CE2 4.21Å; V589-F593 WeakPolarHBondContact O-CD2 3.34Å; V589-F593 PolarHBondContact O-N 3.22Å; R590-F593 WeakPolarHBondContact O-CB 3.42Å; R590-F593 PolarHBondContact O-N 3.19Å; E591-F593 VanDerWaalsContact C-N 3.26Å; E591-F593 PolarHBondContact O-N 2.95Å; F593-F598 HydrophobicContact CB-CD2 4.31Å; F593-F598 HydrophobicContact CD1-CB 4.17Å; F593-F598 AromaticContact CD1-CD2 3.84Å; F593-F598 HydrophobicContact CD1-CD2 3.84Å; F593-F598 HydrophobicContact CE1-CD2 4.25Å; F593-F598 AromaticContact CG-CD2 3.97Å; F593-F598 HydrophobicContact CG-CD2 3.97Å; F593-F598 WeakPolarHBondContact O-CB 3.2Å; F593-F598 PolarHBondContact O-N 3.32Å; F593-I599 HydrophobicContact CB-CD1 4.11Å; F593-I599 HydrophobicContact CB-CG1 4.18Å; F593-I599 PolarHBondContact O-N 3.33Å; F593-I604 HydrophobicContact CD1-CD1 4.37Å; F593-L609 HydrophobicContact CB-CD2 4.05Å; F593-L609 HydrophobicContact CD1-CD1 3.79Å; F593-L609 HydrophobicContact CD1-CD2 4.22Å; F593-L609 HydrophobicContact CE1-CD1 3.9Å; F593-L609 HydrophobicContact CG-CD1 4.21Å; F593-L609 HydrophobicContact CG-CD2 4.25Å; F593-L609 HydrophobicContact CZ-CD1 4.41Å; F593-W612 HydrophobicContact CE1-CZ3 4.17Å; F593-W612 HydrophobicContact CE2-CZ3 4.43Å; F593-W612 HydrophobicContact CZ-CH2 4.22Å; F593-W612 AromaticContact CZ-CZ3 3.65Å; F593-W612 HydrophobicContact CZ-CZ3 3.65Å; F593-L657 HydrophobicContact CE1-CD1 3.96Å; F593-L657 HydrophobicContact CZ-CD1 4.4Å; F593-I660 HydrophobicContact CD2-CG2 4.2Å; F593-I660 HydrophobicContact CE2-CG2 3.6Å; F593-I660 HydrophobicContact CZ-CG2 4.2Å; F593-V661 HydrophobicContact CZ-CG2 4.27Å; F593-F715 HydrophobicContact CE1-CZ 4.19Å
594	Q	97.2	Very high	97.8	Very high	84 Å²	84	36 Å²	36	39%	0.393	18%	0.177	S	C	.	.	H	α-helix	trans	-72.2	-52.5	175.8	-175.8	66.9	32.7	0	0	111.1	R590 E591 M592 L596 G597 I599	R590-Q594 PolarHBondContact O-N 3.01Å; E591-Q594 WeakPolarHBondContact O-CB 3.17Å; E591-Q594 PolarHBondContact O-N 2.89Å; M592-Q594 VanDerWaalsContact C-N 3.3Å; M592-Q594 PolarHBondContact O-N 2.87Å; Q594-L596 VanDerWaalsContact C-N 3.32Å; Q594-L596 PolarHBondContact O-N 3.15Å; Q594-G597 WeakPolarHBondContact O-CA 3.26Å; Q594-G597 PolarHBondContact O-N 2.7Å; Q594-I599 HydrophobicContact CB-CD1 3.97Å; Q594-I599 VanDerWaalsContact OE1-CD1 3.25Å
595	E	96.5	Very high	97.7	Very high	67 Å²	67	38.8 Å²	38.8	31%	0.313	19%	0.19	S	C	.	.	H	α-helix	trans	-67.9	-28.1	-174.9	-76.1	-76.2	102.1	0	0	113.5	L567 R571 E591 G597 Y639	L567-E595 HydrophobicContact CD2-CG 4.49Å; R571-E595 IonicContact CZ-OE2 2.77Å; R571-E595 IonicContact NE-OE2 3.14Å; R571-E595 IonicContact NH2-OE2 2.66Å; R571-E595 PolarHBondContact NH2-OE2 3.44Å; E591-E595 HydrophobicContact CG-CG 4.27Å; E591-E595 WeakPolarHBondContact O-CB 3.33Å; E591-E595 PolarHBondContact O-N 3.01Å; E595-G597 VanDerWaalsContact C-N 3.26Å; E595-Y639 HydrophobicContact CB-CE2 4.37Å; E595-Y639 WeakPolarHBondContact CB-OH 3.33Å
596	L	97.8	Very high	97.6	Very high	13 Å²	13	42.2 Å²	42.2	7%	0.068	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	0.5	171.4	-67	172	0	0	0	112.9	M592 Q594 F598 Y639 I642 W643 T648 I660	M592-L596 VanDerWaalsContact O-CB 3.31Å; M592-L596 WeakPolarHBondContact O-CB 3.46Å; M592-L596 WeakPolarHBondContact O-CG 3.44Å; M592-L596 PolarHBondContact O-N 3.06Å; Q594-L596 VanDerWaalsContact C-N 3.32Å; Q594-L596 PolarHBondContact O-N 3.15Å; L596-F598 VanDerWaalsContact C-N 3.3Å; L596-F598 HydrophobicContact CB-CD1 4.19Å; L596-F598 HydrophobicContact CB-CD2 4.2Å; L596-F598 HydrophobicContact CB-CE1 3.81Å; L596-F598 HydrophobicContact CB-CE2 3.82Å; L596-F598 HydrophobicContact CB-CG 4.37Å; L596-F598 HydrophobicContact CB-CZ 3.6Å; L596-F598 HydrophobicContact CD1-CE2 3.63Å; L596-F598 HydrophobicContact CD1-CZ 3.55Å; L596-F598 HydrophobicContact CG-CE2 4.38Å; L596-F598 HydrophobicContact CG-CZ 4.19Å; L596-F598 PolarHBondContact O-N 3.49Å; L596-Y639 HydrophobicContact CD1-CD2 3.89Å; L596-Y639 HydrophobicContact CD1-CE2 4.23Å; L596-Y639 HydrophobicContact CD2-CD2 4.38Å; L596-Y639 HydrophobicContact CD2-CE2 4.23Å; L596-Y639 HydrophobicContact CG-CD2 4.08Å; L596-Y639 HydrophobicContact CG-CE2 3.92Å; L596-I642 HydrophobicContact CD1-CD1 4.45Å; L596-I642 HydrophobicContact CD2-CG2 3.84Å; L596-W643 HydrophobicContact CD2-CZ2 4.06Å; L596-T648 HydrophobicContact CD2-CG2 4.3Å; L596-I660 HydrophobicContact CD1-CD1 4.02Å; L596-I660 HydrophobicContact CD1-CG1 3.63Å
597	G	97.9	Very high	97.5	Very high	24 Å²	24	48 Å²	48	25%	0.247	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	10.3	175.4	0	0	0	0	0	115.2	Q594 E595 I599 E600 H601	Q594-G597 WeakPolarHBondContact O-CA 3.26Å; Q594-G597 PolarHBondContact O-N 2.7Å; E595-G597 VanDerWaalsContact C-N 3.26Å; G597-I599 VanDerWaalsContact C-N 3.31Å; G597-I599 PolarHBondContact O-N 2.87Å; G597-E600 PolarHBondContact O-N 3.15Å; G597-H601 VanDerWaalsContact O-CB 3.23Å; G597-H601 WeakPolarHBondContact O-CB 3.38Å; G597-H601 PolarHBondContact O-N 3.06Å
598	F	98.4	Very high	97.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-39.3	-178.3	-57	-30.3	0	0	0	112	F593 L596 Y602 I604 I653 Q656 L657 I660	F593-F598 HydrophobicContact CB-CD2 4.31Å; F593-F598 HydrophobicContact CD1-CB 4.17Å; F593-F598 AromaticContact CD1-CD2 3.84Å; F593-F598 HydrophobicContact CD1-CD2 3.84Å; F593-F598 HydrophobicContact CE1-CD2 4.25Å; F593-F598 AromaticContact CG-CD2 3.97Å; F593-F598 HydrophobicContact CG-CD2 3.97Å; F593-F598 WeakPolarHBondContact O-CB 3.2Å; F593-F598 PolarHBondContact O-N 3.32Å; L596-F598 VanDerWaalsContact C-N 3.3Å; L596-F598 HydrophobicContact CB-CD1 4.19Å; L596-F598 HydrophobicContact CB-CD2 4.2Å; L596-F598 HydrophobicContact CB-CE1 3.81Å; L596-F598 HydrophobicContact CB-CE2 3.82Å; L596-F598 HydrophobicContact CB-CG 4.37Å; L596-F598 HydrophobicContact CB-CZ 3.6Å; L596-F598 HydrophobicContact CD1-CE2 3.63Å; L596-F598 HydrophobicContact CD1-CZ 3.55Å; L596-F598 HydrophobicContact CG-CE2 4.38Å; L596-F598 HydrophobicContact CG-CZ 4.19Å; L596-F598 PolarHBondContact O-N 3.49Å; F598-Y602 HydrophobicContact CB-CD2 4.17Å; F598-Y602 HydrophobicContact CB-CE2 4.43Å; F598-Y602 HydrophobicContact CD1-CE2 4.25Å; F598-Y602 WeakPolarHBondContact O-CB 3.17Å; F598-Y602 VanDerWaalsContact O-CD2 3.3Å; F598-Y602 WeakPolarHBondContact O-CD2 3.33Å; F598-Y602 PolarHBondContact O-N 3.36Å; F598-I604 HydrophobicContact CB-CD1 4.28Å; F598-I653 HydrophobicContact CD1-CD1 4.13Å; F598-I653 HydrophobicContact CD1-CG1 3.71Å; F598-I653 HydrophobicContact CE1-CG1 3.86Å; F598-Q656 HydrophobicContact CE1-CB 3.9Å; F598-Q656 HydrophobicContact CZ-CB 3.91Å; F598-L657 HydrophobicContact CB-CD1 4.46Å; F598-L657 HydrophobicContact CD1-CB 4.31Å; F598-L657 HydrophobicContact CD1-CD1 4.41Å; F598-L657 HydrophobicContact CD2-CD1 3.7Å; F598-L657 HydrophobicContact CE1-CB 4.02Å; F598-L657 HydrophobicContact CE2-CB 4.48Å; F598-L657 HydrophobicContact CE2-CD1 3.97Å; F598-L657 HydrophobicContact CG-CD1 3.96Å; F598-L657 HydrophobicContact CZ-CB 4.12Å; F598-L657 HydrophobicContact CZ-CD1 4.44Å; F598-I660 HydrophobicContact CE2-CB 4.1Å; F598-I660 HydrophobicContact CE2-CG1 4.01Å; F598-I660 HydrophobicContact CE2-CG2 4.34Å; F598-I660 HydrophobicContact CZ-CG1 4.27Å
599	I	98	Very high	97.4	Very high	17 Å²	17	47.5 Å²	47.5	9%	0.087	23%	0.233	C	C	.	.	H	α-helix	trans	-62.3	-47.8	-177.6	-67.2	167.2	0	0	0	110.7	F593 Q594 G597 N603 I604 L606 L609	F593-I599 HydrophobicContact CB-CD1 4.11Å; F593-I599 HydrophobicContact CB-CG1 4.18Å; F593-I599 PolarHBondContact O-N 3.33Å; Q594-I599 HydrophobicContact CB-CD1 3.97Å; Q594-I599 VanDerWaalsContact OE1-CD1 3.25Å; G597-I599 VanDerWaalsContact C-N 3.31Å; G597-I599 PolarHBondContact O-N 2.87Å; I599-N603 CarbonylContact O-C 3.59Å; I599-N603 VanDerWaalsContact O-CA 3.26Å; I599-N603 WeakPolarHBondContact O-CA 3.37Å; I599-N603 PolarHBondContact O-N 2.82Å; I599-I604 PolarHBondContact O-N 3.43Å; I599-L606 HydrophobicContact CD1-CD2 3.74Å; I599-L606 HydrophobicContact CG1-CD2 4.39Å; I599-L606 HydrophobicContact CG2-CD2 3.94Å; I599-L609 HydrophobicContact CD1-CD2 3.79Å; I599-L609 HydrophobicContact CG1-CD2 3.98Å
600	E	97.4	Very high	97.3	Very high	167 Å²	167	49 Å²	49	78%	0.78	24%	0.241	S	C	*	.	H	α-helix	trans	-69.9	-49.9	179	-176	177.1	-176.4	0	0	111.5	G597 Y602 N603	G597-E600 PolarHBondContact O-N 3.15Å; E600-Y602 PolarHBondContact O-N 3.49Å; E600-N603 PolarHBondContact O-N 3.42Å
601	H	97.2	Very high	97.2	Very high	111 Å²	111	49.9 Å²	49.9	51%	0.514	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-44.9	-174.9	-177.3	83.4	0	0	0	113	G597 I653	G597-H601 VanDerWaalsContact O-CB 3.23Å; G597-H601 WeakPolarHBondContact O-CB 3.38Å; G597-H601 PolarHBondContact O-N 3.06Å; H601-I653 HydrophobicContact CB-CD1 3.45Å; H601-I653 VanDerWaalsContact CB-CD1 3.45Å; H601-I653 WeakPolarHBondContact NE2-CG2 3.48Å
602	Y	96.9	Very high	97.2	Very high	14 Å²	14	49 Å²	49	6%	0.055	24%	0.243	C	C	.	.	H	α-helix	trans	-92.8	-3.7	-178.5	-65.1	-68.2	0	0	0	112.8	F598 E600 I604 I653 D654 L657 H717 L718 T722	F598-Y602 HydrophobicContact CB-CD2 4.17Å; F598-Y602 HydrophobicContact CB-CE2 4.43Å; F598-Y602 HydrophobicContact CD1-CE2 4.25Å; F598-Y602 WeakPolarHBondContact O-CB 3.17Å; F598-Y602 VanDerWaalsContact O-CD2 3.3Å; F598-Y602 WeakPolarHBondContact O-CD2 3.33Å; F598-Y602 PolarHBondContact O-N 3.36Å; E600-Y602 PolarHBondContact O-N 3.49Å; Y602-I604 HydrophobicContact CD2-CD1 4.46Å; Y602-I653 HydrophobicContact CE2-CG1 4.25Å; Y602-D654 VanDerWaalsContact OH-CA 3.25Å; Y602-D654 WeakPolarHBondContact OH-CA 3.18Å; Y602-D654 PolarHBondContact OH-N 3.07Å; Y602-D654 PolarHBondContact OH-OD1 3.39Å; Y602-L657 HydrophobicContact CD2-CD2 4.26Å; Y602-L657 HydrophobicContact CE2-CB 4.34Å; Y602-L657 HydrophobicContact CE2-CD2 3.62Å; Y602-L657 HydrophobicContact CE2-CG 4.43Å; Y602-H717 PolarHBondContact O-NE2 3.17Å; Y602-L718 HydrophobicContact CD1-CD1 3.86Å; Y602-L718 HydrophobicContact CD1-CD2 3.66Å; Y602-L718 HydrophobicContact CD1-CG 4.44Å; Y602-L718 HydrophobicContact CE1-CD1 4.23Å; Y602-L718 HydrophobicContact CG-CD1 4.44Å; Y602-L718 HydrophobicContact CG-CD2 4.25Å; Y602-T722 HydrophobicContact CE1-CG2 4.34Å
603	N	96.8	Very high	97.2	Very high	122 Å²	122	49 Å²	49	65%	0.652	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	49	-170.9	-171.7	39.1	0	0	0	112.4	I599 E600 Q605 H717	I599-N603 CarbonylContact O-C 3.59Å; I599-N603 VanDerWaalsContact O-CA 3.26Å; I599-N603 WeakPolarHBondContact O-CA 3.37Å; I599-N603 PolarHBondContact O-N 2.82Å; E600-N603 PolarHBondContact O-N 3.42Å; N603-Q605 PolarHBondContact O-N 3.12Å; N603-H717 PolarHBondContact O-NE2 3.39Å
604	I	97.4	Very high	97.1	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	24%	0.244	C	C	.	.			trans	-71.8	126.5	180	-64.3	170.3	0	0	0	109.3	F593 F598 I599 Y602 L606 L609 P714 F715	F593-I604 HydrophobicContact CD1-CD1 4.37Å; F598-I604 HydrophobicContact CB-CD1 4.28Å; I599-I604 PolarHBondContact O-N 3.43Å; Y602-I604 HydrophobicContact CD2-CD1 4.46Å; I604-L606 PolarHBondContact O-N 3.41Å; I604-L609 HydrophobicContact CG2-CB 3.85Å; I604-L609 HydrophobicContact CG2-CD2 4.47Å; I604-P714 HydrophobicContact CG2-CB 3.63Å; I604-F715 HydrophobicContact CD1-CD1 4.36Å; I604-F715 HydrophobicContact CD1-CE1 3.83Å
605	Q	96.6	Very high	97	Very high	116 Å²	116	47 Å²	47	54%	0.542	24%	0.235	S	C	.	.			trans	-70.3	119.6	172.1	-58.1	-176.1	33.7	0	0	109.7	N603 H607 Q608 L609	N603-Q605 PolarHBondContact O-N 3.12Å; Q605-H607 PolarHBondContact O-N 2.97Å; Q605-H607 VanDerWaalsContact O-N 3.12Å; Q605-Q608 HydrophobicContact CB-CB 4.36Å; Q605-Q608 HydrophobicContact CB-CG 4.12Å; Q605-Q608 PolarHBondContact O-N 3.1Å; Q605-L609 PolarHBondContact O-N 2.85Å
606	L	96	Very high	97	Very high	72 Å²	72	43.8 Å²	43.8	38%	0.377	22%	0.22	S	C	.	.	H	α-helix	trans	-53.6	-36.7	-179.1	-67.1	175.5	0	0	0	112.8	I599 I604 L609 D610	I599-L606 HydrophobicContact CD1-CD2 3.74Å; I599-L606 HydrophobicContact CG1-CD2 4.39Å; I599-L606 HydrophobicContact CG2-CD2 3.94Å; I604-L606 PolarHBondContact O-N 3.41Å; L606-L609 PolarHBondContact O-N 3.08Å; L606-D610 WeakPolarHBondContact O-CB 3.26Å; L606-D610 PolarHBondContact O-N 3.4Å
607	H	95.5	Very high	97	Very high	123 Å²	123	43.2 Å²	43.2	57%	0.569	22%	0.217	S	C	*	.	H	α-helix	trans	-62.6	-43.5	177.3	-179.7	44.4	0	0	0	112.8	Q605 D610 L611	Q605-H607 PolarHBondContact O-N 2.97Å; Q605-H607 VanDerWaalsContact O-N 3.12Å; H607-D610 PolarHBondContact O-N 2.85Å; H607-L611 WeakPolarHBondContact O-CG 3.38Å; H607-L611 PolarHBondContact O-N 3.35Å
608	Q	96.1	Very high	96.8	Very high	16 Å²	16	46.3 Å²	46.3	8%	0.075	22%	0.221	C	C	.	.	H	α-helix	trans	-67.6	-42.1	177.7	-65.8	-179.7	-62.5	0	0	110.5	Q605 D610 L611 W612 K710 D713 P714	Q605-Q608 HydrophobicContact CB-CB 4.36Å; Q605-Q608 HydrophobicContact CB-CG 4.12Å; Q605-Q608 PolarHBondContact O-N 3.1Å; Q608-D610 PolarHBondContact O-N 3.33Å; Q608-L611 PolarHBondContact O-N 2.9Å; Q608-W612 WeakPolarHBondContact O-CB 3.39Å; Q608-W612 PolarHBondContact O-N 2.93Å; Q608-K710 PolarHBondContact NE2-O 3.25Å; Q608-K710 VanDerWaalsContact NE2-O 3.13Å; Q608-D713 PolarHBondContact NE2-O 2.87Å; Q608-P714 HydrophobicContact CB-CB 4.32Å
609	L	97.8	Very high	96.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-47.5	174.5	-179.3	60.9	0	0	0	111.6	R590 F593 I599 I604 Q605 L606 L611 W612 L613 P714	R590-L609 HydrophobicContact CG-CD2 4.17Å; F593-L609 HydrophobicContact CB-CD2 4.05Å; F593-L609 HydrophobicContact CD1-CD1 3.79Å; F593-L609 HydrophobicContact CD1-CD2 4.22Å; F593-L609 HydrophobicContact CE1-CD1 3.9Å; F593-L609 HydrophobicContact CG-CD1 4.21Å; F593-L609 HydrophobicContact CG-CD2 4.25Å; F593-L609 HydrophobicContact CZ-CD1 4.41Å; I599-L609 HydrophobicContact CD1-CD2 3.79Å; I599-L609 HydrophobicContact CG1-CD2 3.98Å; I604-L609 HydrophobicContact CG2-CB 3.85Å; I604-L609 HydrophobicContact CG2-CD2 4.47Å; Q605-L609 PolarHBondContact O-N 2.85Å; L606-L609 PolarHBondContact O-N 3.08Å; L609-L611 VanDerWaalsContact C-N 3.34Å; L609-L611 PolarHBondContact O-N 3.02Å; L609-W612 HydrophobicContact CD1-CE3 4Å; L609-W612 HydrophobicContact CD1-CZ3 4.34Å; L609-W612 PolarHBondContact O-N 3.49Å; L609-L613 HydrophobicContact CD1-CD1 4.07Å; L609-L613 HydrophobicContact CD1-CG 4.04Å; L609-L613 HydrophobicContact CG-CD1 4.03Å; L609-L613 HydrophobicContact CG-CG 4.38Å; L609-L613 WeakPolarHBondContact O-CB 3.33Å; L609-L613 VanDerWaalsContact O-CG 3.28Å; L609-L613 WeakPolarHBondContact O-CG 3.48Å; L609-L613 PolarHBondContact O-N 2.85Å; L609-P714 HydrophobicContact CB-CB 4.47Å
610	D	97.3	Very high	96.6	Very high	31 Å²	31	49.9 Å²	49.9	17%	0.166	23%	0.234	C	C	.	.	H	α-helix	trans	-61.3	-42.4	178.5	-71.2	-9.2	0	0	0	111.2	F554 R590 L606 H607 Q608 T614	F554-D610 HydrophobicContact CE1-CB 3.93Å; F554-D610 HydrophobicContact CZ-CB 4.18Å; R590-D610 WeakPolarHBondContact CD-OD1 3.32Å; R590-D610 IonicContact NE-OD1 3.59Å; R590-D610 PolarHBondContact NE-OD1 2.98Å; R590-D610 IonicContact NE-OD2 2.67Å; L606-D610 WeakPolarHBondContact O-CB 3.26Å; L606-D610 PolarHBondContact O-N 3.4Å; H607-D610 PolarHBondContact O-N 2.85Å; Q608-D610 PolarHBondContact O-N 3.33Å; D610-T614 WeakPolarHBondContact O-CG2 3.41Å; D610-T614 PolarHBondContact O-N 3.45Å; D610-T614 VanDerWaalsContact O-N 3.15Å; D610-T614 PolarHBondContact O-OG1 2.92Å
611	L	96.1	Very high	96.4	Very high	44 Å²	44	42.1 Å²	42.1	23%	0.23	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-51.1	175.8	-72.4	176.8	0	0	0	111.2	H607 Q608 L609 L613 T614 D615 V712	H607-L611 WeakPolarHBondContact O-CG 3.38Å; H607-L611 PolarHBondContact O-N 3.35Å; Q608-L611 PolarHBondContact O-N 2.9Å; L609-L611 VanDerWaalsContact C-N 3.34Å; L609-L611 PolarHBondContact O-N 3.02Å; L611-L613 PolarHBondContact O-N 3.43Å; L611-T614 PolarHBondContact O-N 3.23Å; L611-T614 VanDerWaalsContact O-N 3.11Å; L611-T614 PolarHBondContact O-OG1 3.1Å; L611-D615 PolarHBondContact O-N 3.38Å; L611-V712 HydrophobicContact CB-CB 4.26Å; L611-V712 HydrophobicContact CB-CG1 3.96Å; L611-V712 HydrophobicContact CD1-CG1 4.05Å
612	W	97.6	Very high	96.3	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-58.4	-46.4	-179.9	-177.9	63.9	0	0	0	112.9	F593 Q608 L609 T614 D615 I616 V661 I664 L707 V712 P714 F715	F593-W612 HydrophobicContact CE1-CZ3 4.17Å; F593-W612 HydrophobicContact CE2-CZ3 4.43Å; F593-W612 HydrophobicContact CZ-CH2 4.22Å; F593-W612 AromaticContact CZ-CZ3 3.65Å; F593-W612 HydrophobicContact CZ-CZ3 3.65Å; Q608-W612 WeakPolarHBondContact O-CB 3.39Å; Q608-W612 PolarHBondContact O-N 2.93Å; L609-W612 HydrophobicContact CD1-CE3 4Å; L609-W612 HydrophobicContact CD1-CZ3 4.34Å; L609-W612 PolarHBondContact O-N 3.49Å; W612-T614 VanDerWaalsContact C-N 3.28Å; W612-T614 PolarHBondContact O-N 2.97Å; W612-D615 PolarHBondContact O-N 3.5Å; W612-D615 VanDerWaalsContact O-N 3.13Å; W612-I616 HydrophobicContact CD2-CD1 3.78Å; W612-I616 HydrophobicContact CE3-CD1 4Å; W612-I616 HydrophobicContact CG-CD1 4.46Å; W612-I616 HydrophobicContact CH2-CD1 3.76Å; W612-I616 HydrophobicContact CZ2-CD1 3.54Å; W612-I616 HydrophobicContact CZ3-CD1 3.99Å; W612-I616 WeakPolarHBondContact O-CG1 3.47Å; W612-I616 PolarHBondContact O-N 3.21Å; W612-V661 HydrophobicContact CH2-CG1 4.19Å; W612-V661 HydrophobicContact CH2-CG2 4.09Å; W612-V661 HydrophobicContact CZ2-CG1 4.31Å; W612-I664 HydrophobicContact CH2-CG2 4.41Å; W612-L707 HydrophobicContact CZ2-CD2 4.27Å; W612-L707 VanDerWaalsContact NE1-CD2 3.29Å; W612-V712 WeakPolarHBondContact CB-O 3.31Å; W612-P714 HydrophobicContact CB-CG 4.25Å; W612-P714 HydrophobicContact CD2-CG 4Å; W612-P714 HydrophobicContact CE3-CG 4.01Å; W612-P714 HydrophobicContact CG-CG 4.14Å; W612-F715 HydrophobicContact CH2-CE2 4.27Å; W612-F715 HydrophobicContact CZ2-CE2 4.34Å
613	L	98	Very high	96.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-36.6	176.5	-69.7	177.8	0	0	0	112	I586 V589 R590 L609 L611 I616 Y617	I586-L613 HydrophobicContact CG2-CB 4.02Å; V589-L613 HydrophobicContact CG1-CD1 4.48Å; V589-L613 HydrophobicContact CG1-CD2 3.69Å; R590-L613 HydrophobicContact CB-CD1 3.77Å; R590-L613 HydrophobicContact CG-CD1 4.41Å; L609-L613 HydrophobicContact CD1-CD1 4.07Å; L609-L613 HydrophobicContact CD1-CG 4.04Å; L609-L613 HydrophobicContact CG-CD1 4.03Å; L609-L613 HydrophobicContact CG-CG 4.38Å; L609-L613 WeakPolarHBondContact O-CB 3.33Å; L609-L613 VanDerWaalsContact O-CG 3.28Å; L609-L613 WeakPolarHBondContact O-CG 3.48Å; L609-L613 PolarHBondContact O-N 2.85Å; L611-L613 PolarHBondContact O-N 3.43Å; L613-I616 HydrophobicContact CD2-CD1 4.5Å; L613-Y617 PolarHBondContact O-N 3.16Å; L613-Y617 VanDerWaalsContact O-N 3.08Å
614	T	96.3	Very high	96.3	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-73.4	-28.9	175.8	64.8	0	0	0	0	113.4	I551 F554 D610 L611 W612 Y617 R618	I551-T614 HydrophobicContact CB-CG2 4.41Å; I551-T614 HydrophobicContact CD1-CG2 4.22Å; I551-T614 HydrophobicContact CG1-CG2 3.77Å; I551-T614 HydrophobicContact CG2-CG2 4.04Å; F554-T614 HydrophobicContact CD1-CG2 3.59Å; F554-T614 HydrophobicContact CE1-CG2 3.7Å; D610-T614 WeakPolarHBondContact O-CG2 3.41Å; D610-T614 PolarHBondContact O-N 3.45Å; D610-T614 VanDerWaalsContact O-N 3.15Å; D610-T614 PolarHBondContact O-OG1 2.92Å; L611-T614 PolarHBondContact O-N 3.23Å; L611-T614 VanDerWaalsContact O-N 3.11Å; L611-T614 PolarHBondContact O-OG1 3.1Å; W612-T614 VanDerWaalsContact C-N 3.28Å; W612-T614 PolarHBondContact O-N 2.97Å; T614-Y617 WeakPolarHBondContact O-CB 3.27Å; T614-Y617 PolarHBondContact O-N 3.37Å; T614-R618 WeakPolarHBondContact O-CG 3.33Å; T614-R618 PolarHBondContact O-N 3.19Å; T614-R618 VanDerWaalsContact O-N 3.14Å; T614-R618 PolarHBondContact OG1-NH1 3.4Å
615	D	94.8	Very high	96.3	Very high	38 Å²	38	39.7 Å²	39.7	20%	0.203	18%	0.182	C	C	.	.	H	α-helix	trans	-74.7	-40	174.2	-73.9	-14	0	0	0	111.6	L611 W612 Y617 R618 R619 L706	L611-D615 PolarHBondContact O-N 3.38Å; W612-D615 PolarHBondContact O-N 3.5Å; W612-D615 VanDerWaalsContact O-N 3.13Å; D615-Y617 VanDerWaalsContact C-N 3.3Å; D615-Y617 PolarHBondContact O-N 3.33Å; D615-R618 WeakPolarHBondContact O-CB 3.34Å; D615-R618 PolarHBondContact O-N 3.27Å; D615-R618 VanDerWaalsContact O-N 3.15Å; D615-R618 IonicContact OD1-CZ 3.31Å; D615-R618 IonicContact OD1-NH1 2.71Å; D615-R618 PolarHBondContact OD1-NH1 3.47Å; D615-R619 WeakPolarHBondContact O-CG 3.46Å; D615-R619 PolarHBondContact O-N 3.02Å; D615-R619 VanDerWaalsContact O-N 3.08Å; D615-L706 HydrophobicContact CB-CD2 3.92Å
616	I	96.8	Very high	96.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-52.1	-51.3	166.9	-73	172.5	0	0	0	110.1	W612 L613 R618 R619 Y620 Y628 I664 L668 L706	W612-I616 HydrophobicContact CD2-CD1 3.78Å; W612-I616 HydrophobicContact CE3-CD1 4Å; W612-I616 HydrophobicContact CG-CD1 4.46Å; W612-I616 HydrophobicContact CH2-CD1 3.76Å; W612-I616 HydrophobicContact CZ2-CD1 3.54Å; W612-I616 HydrophobicContact CZ3-CD1 3.99Å; W612-I616 WeakPolarHBondContact O-CG1 3.47Å; W612-I616 PolarHBondContact O-N 3.21Å; L613-I616 HydrophobicContact CD2-CD1 4.5Å; I616-R618 VanDerWaalsContact C-N 3.28Å; I616-R618 PolarHBondContact O-N 3.19Å; I616-R619 PolarHBondContact O-N 3.44Å; I616-Y620 HydrophobicContact CG2-CD2 4.17Å; I616-Y620 HydrophobicContact CG2-CE2 3.97Å; I616-Y620 WeakPolarHBondContact O-CD2 3.38Å; I616-Y620 PolarHBondContact O-N 3.23Å; I616-Y628 HydrophobicContact CG2-CE2 4.23Å; I616-I664 HydrophobicContact CD1-CG2 4.2Å; I616-I664 HydrophobicContact CG2-CG1 4.08Å; I616-L668 HydrophobicContact CG2-CD2 4.12Å; I616-L706 HydrophobicContact CG1-CD1 3.78Å
617	Y	97.3	Very high	96.5	Very high	1 Å²	1	33 Å²	33	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-55.2	-41.8	179	172.3	-106.7	0	0	0	113.1	R542 N550 D582 I586 L613 T614 D615 R619 Y620 Y628	R542-Y617 VanDerWaalsContact CD-CE1 3.48Å; R542-Y617 PolarHBondContact NE-O 2.61Å; R542-Y617 PolarHBondContact NH1-OH 3.47Å; N550-Y617 HydrophobicContact CB-CE1 3.81Å; N550-Y617 VanDerWaalsContact CG-OH 3.24Å; N550-Y617 PolarHBondContact ND2-OH 2.96Å; N550-Y617 VanDerWaalsContact ND2-OH 3.11Å; D582-Y617 HydrophobicContact CB-CD2 4.45Å; D582-Y617 HydrophobicContact CB-CE2 3.51Å; D582-Y617 VanDerWaalsContact OD2-CE2 3.29Å; D582-Y617 WeakPolarHBondContact OD2-CE2 3.42Å; D582-Y617 PolarHBondContact OD2-OH 3.15Å; I586-Y617 HydrophobicContact CD1-CD1 4.16Å; I586-Y617 HydrophobicContact CD1-CD2 3.97Å; I586-Y617 HydrophobicContact CD1-CG 3.74Å; I586-Y617 HydrophobicContact CG1-CD2 4.41Å; I586-Y617 HydrophobicContact CG1-CG 4.47Å; L613-Y617 PolarHBondContact O-N 3.16Å; L613-Y617 VanDerWaalsContact O-N 3.08Å; T614-Y617 WeakPolarHBondContact O-CB 3.27Å; T614-Y617 PolarHBondContact O-N 3.37Å; D615-Y617 VanDerWaalsContact C-N 3.3Å; D615-Y617 PolarHBondContact O-N 3.33Å; Y617-R619 VanDerWaalsContact C-N 3.31Å; Y617-R619 PolarHBondContact O-N 3.49Å; Y617-Y620 PolarHBondContact O-N 3.12Å; Y617-Y628 AromaticContact CD2-CD1 3.57Å; Y617-Y628 HydrophobicContact CD2-CD1 3.57Å; Y617-Y628 AromaticContact CD2-CD2 3.84Å; Y617-Y628 HydrophobicContact CD2-CD2 3.84Å; Y617-Y628 AromaticContact CD2-CE1 3.94Å; Y617-Y628 HydrophobicContact CD2-CE1 3.94Å; Y617-Y628 HydrophobicContact CD2-CE2 4.18Å; Y617-Y628 AromaticContact CD2-CG 3.52Å; Y617-Y628 HydrophobicContact CD2-CG 3.52Å; Y617-Y628 AromaticContact CE2-CD1 3.94Å; Y617-Y628 HydrophobicContact CE2-CD1 3.94Å; Y617-Y628 HydrophobicContact CE2-CG 4.08Å
618	R	94.8	Very high	96.6	Very high	89 Å²	89	27.2 Å²	27.2	34%	0.336	12%	0.122	S	C	.	.	H	α-helix	trans	-65.2	-32.9	177.3	-74.2	174.3	176	112.5	-2.5	112.9	I551 T614 D615 I616 Y620	I551-R618 HydrophobicContact CD1-CG 4.45Å; T614-R618 WeakPolarHBondContact O-CG 3.33Å; T614-R618 PolarHBondContact O-N 3.19Å; T614-R618 VanDerWaalsContact O-N 3.14Å; T614-R618 PolarHBondContact OG1-NH1 3.4Å; D615-R618 WeakPolarHBondContact O-CB 3.34Å; D615-R618 PolarHBondContact O-N 3.27Å; D615-R618 VanDerWaalsContact O-N 3.15Å; D615-R618 IonicContact OD1-CZ 3.31Å; D615-R618 IonicContact OD1-NH1 2.71Å; D615-R618 PolarHBondContact OD1-NH1 3.47Å; I616-R618 VanDerWaalsContact C-N 3.28Å; I616-R618 PolarHBondContact O-N 3.19Å; R618-Y620 VanDerWaalsContact C-N 3.32Å
619	R	94.6	Very high	96.7	Very high	92 Å²	92	28.1 Å²	28.1	35%	0.347	13%	0.126	S	C	.	.	H	α-helix	trans	-79.7	-9.3	-179.3	-65.5	-55.7	-174.5	-169.5	2.6	114	D615 I616 Y617 L668 D669 V702 L706	D615-R619 WeakPolarHBondContact O-CG 3.46Å; D615-R619 PolarHBondContact O-N 3.02Å; D615-R619 VanDerWaalsContact O-N 3.08Å; I616-R619 PolarHBondContact O-N 3.44Å; Y617-R619 VanDerWaalsContact C-N 3.31Å; Y617-R619 PolarHBondContact O-N 3.49Å; R619-L668 HydrophobicContact CB-CD2 3.66Å; R619-D669 VanDerWaalsContact O-CA 3.23Å; R619-D669 WeakPolarHBondContact O-CA 3.37Å; R619-D669 PolarHBondContact O-N 3.39Å; R619-V702 HydrophobicContact CB-CG1 4.28Å; R619-V702 HydrophobicContact CG-CG1 4.14Å; R619-L706 HydrophobicContact CG-CD1 4.08Å; R619-L706 HydrophobicContact CG-CD2 3.92Å; R619-L706 HydrophobicContact CG-CG 4.36Å
620	Y	96.7	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-85.4	116.3	171.2	-88.3	-82.6	0	0	0	112.2	R542 I616 Y617 R618 Y628 A631 I664 D667 L668	R542-Y620 PolarHBondContact NE-O 2.76Å; R542-Y620 PolarHBondContact NH2-O 2.69Å; I616-Y620 HydrophobicContact CG2-CD2 4.17Å; I616-Y620 HydrophobicContact CG2-CE2 3.97Å; I616-Y620 WeakPolarHBondContact O-CD2 3.38Å; I616-Y620 PolarHBondContact O-N 3.23Å; Y617-Y620 PolarHBondContact O-N 3.12Å; R618-Y620 VanDerWaalsContact C-N 3.32Å; Y620-Y628 AromaticContact CD2-CD2 3.81Å; Y620-Y628 HydrophobicContact CD2-CD2 3.81Å; Y620-Y628 HydrophobicContact CE2-CD2 4.43Å; Y620-Y628 HydrophobicContact CG-CD2 4.26Å; Y620-A631 HydrophobicContact CD1-CB 4.37Å; Y620-A631 HydrophobicContact CD2-CB 4.43Å; Y620-A631 HydrophobicContact CE1-CB 3.63Å; Y620-A631 HydrophobicContact CE2-CB 3.71Å; Y620-A631 VanDerWaalsContact OH-CB 3.26Å; Y620-A631 WeakPolarHBondContact OH-CB 3.43Å; Y620-I664 WeakPolarHBondContact CE2-O 3.47Å; Y620-I664 PolarHBondContact OH-O 3.33Å; Y620-I664 VanDerWaalsContact OH-O 3.12Å; Y620-D667 HydrophobicContact CE1-CB 3.64Å; Y620-D667 VanDerWaalsContact CE1-O 3.28Å; Y620-D667 WeakPolarHBondContact CE1-O 3.24Å; Y620-D667 PolarHBondContact OH-N 3.34Å; Y620-L668 HydrophobicContact CD2-CD2 3.8Å; Y620-L668 HydrophobicContact CE2-CD2 3.53Å; Y620-L668 HydrophobicContact CE2-CG 3.97Å
621	N	94.6	Very high	96.8	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	12%	0.118	C	C	.	.			trans	-65.4	157.5	176	-66.6	-45.7	0	0	0	112.4	I540 V623 N627 D669 H670	I540-N621 HydrophobicContact CD1-CB 4.17Å; I540-N621 HydrophobicContact CG1-CB 4.35Å; N621-V623 VanDerWaalsContact C-N 3.25Å; N621-V623 HydrophobicContact CB-CG1 4.23Å; N621-V623 PolarHBondContact O-N 3.04Å; N621-N627 WeakPolarHBondContact O-CB 3.28Å; N621-D669 PolarHBondContact ND2-O 3.37Å; N621-D669 PolarHBondContact ND2-OD1 3.37Å; N621-H670 PolarHBondContact ND2-O 3.42Å
622	R	94.3	Very high	96.9	Very high	135 Å²	135	24.5 Å²	24.5	51%	0.509	11%	0.107	S	C	.	.			trans	-88.5	54.1	177.5	-55.8	-176.8	84.2	168.8	13	111.1	I540 R542 D546	I540-R622 WeakPolarHBondContact O-CA 3.4Å; I540-R622 WeakPolarHBondContact O-CB 3.45Å; I540-R622 PolarHBondContact O-N 2.72Å; R542-R622 HydrophobicContact CB-CG 4.41Å; D546-R622 IonicContact OD2-CZ 3.79Å; D546-R622 IonicContact OD2-NH1 3.86Å; D546-R622 PolarHBondContact OD2-NH1 2.9Å; D546-R622 IonicContact OD2-NH2 3.19Å
623	V	95.8	Very high	97	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.03	11%	0.107	C	C	.	.			trans	-86.8	158.1	172.1	-60.9	0	0	0	0	110.6	I540 N621 F625 H626 N627 E812	I540-V623 HydrophobicContact CB-CG1 4.13Å; I540-V623 HydrophobicContact CD1-CG1 3.76Å; I540-V623 HydrophobicContact CG2-CG1 4.22Å; N621-V623 VanDerWaalsContact C-N 3.25Å; N621-V623 HydrophobicContact CB-CG1 4.23Å; N621-V623 PolarHBondContact O-N 3.04Å; V623-F625 PolarHBondContact O-N 2.74Å; V623-H626 VanDerWaalsContact CG2-C 3.43Å; V623-H626 HydrophobicContact CG2-CB 4.08Å; V623-H626 WeakPolarHBondContact CG2-O 3.45Å; V623-N627 PolarHBondContact O-ND2 3.1Å; V623-E812 WeakPolarHBondContact CB-OE2 3.31Å; V623-E812 WeakPolarHBondContact CG2-OE2 3.44Å
624	P	97.1	Very high	97	Very high	47 Å²	47	24.6 Å²	24.6	31%	0.305	11%	0.107	S	C	.	.	S	Bend	trans	-57.9	-42.3	-173.2	-25.6	34.2	0	0	0	114.6	N627 R808 A811 E812	P624-N627 PolarHBondContact O-ND2 3.2Å; P624-R808 WeakPolarHBondContact CB-O 3.43Å; P624-R808 VanDerWaalsContact O-CB 3.32Å; P624-R808 WeakPolarHBondContact O-CB 3.45Å; P624-R808 WeakPolarHBondContact O-CD 3.32Å; P624-R808 WeakPolarHBondContact O-CG 3.43Å; P624-R808 PolarHBondContact O-NH1 3.22Å; P624-A811 HydrophobicContact CB-CB 4.13Å; P624-A811 HydrophobicContact CG-CB 4.43Å; P624-E812 HydrophobicContact CB-CB 4.13Å; P624-E812 WeakPolarHBondContact CD-OE2 3.31Å; P624-E812 HydrophobicContact CG-CB 4.18Å
625	F	98.3	Very high	97.1	Very high	16 Å²	16	24.4 Å²	24.4	7%	0.07	11%	0.106	C	C	.	.	S	Bend	trans	-109.5	-64.3	-175.6	-172.9	-89.3	0	0	0	113.3	V623 N627 H630 N794 W805 R808 L809 E812	V623-F625 PolarHBondContact O-N 2.74Å; F625-N627 PolarHBondContact O-N 2.84Å; F625-N627 PolarHBondContact O-ND2 3.27Å; F625-H630 AromaticContact CE1-CE1 3.88Å; F625-H630 AromaticContact CE1-ND1 3.9Å; F625-H630 VanDerWaalsContact O-CB 3.27Å; F625-H630 WeakPolarHBondContact O-CB 3.43Å; F625-N794 WeakPolarHBondContact CZ-ND2 3.48Å; F625-W805 AromaticContact CD2-CE3 3.77Å; F625-W805 HydrophobicContact CD2-CE3 3.77Å; F625-W805 HydrophobicContact CD2-CZ3 4.25Å; F625-W805 AromaticContact CE2-CE3 3.84Å; F625-W805 HydrophobicContact CE2-CE3 3.84Å; F625-R808 HydrophobicContact CB-CB 4.5Å; F625-R808 HydrophobicContact CD2-CB 4.46Å; F625-L809 HydrophobicContact CD1-CD1 4.19Å; F625-L809 HydrophobicContact CD2-CB 3.59Å; F625-L809 HydrophobicContact CD2-CD1 3.99Å; F625-L809 HydrophobicContact CD2-CG 4.37Å; F625-L809 HydrophobicContact CE1-CD1 4.34Å; F625-L809 HydrophobicContact CE2-CB 3.91Å; F625-L809 HydrophobicContact CE2-CD1 4.14Å; F625-L809 HydrophobicContact CE2-CG 4.47Å; F625-L809 HydrophobicContact CG-CB 4.28Å; F625-L809 HydrophobicContact CG-CD1 4.01Å; F625-L809 HydrophobicContact CZ-CD1 4.31Å; F625-E812 WeakPolarHBondContact CA-OE2 3.27Å; F625-E812 HydrophobicContact CB-CB 4.34Å; F625-E812 WeakPolarHBondContact CB-OE2 3.48Å; F625-E812 PolarHBondContact N-OE2 3.49Å
626	H	98.6	Very high	97.3	Very high	32 Å²	32	22.6 Å²	22.6	15%	0.148	10%	0.096	C	C	.	.	S	Bend	trans	-77.2	61.8	-173.1	-55.6	92	0	0	0	112.5	V623 D667 H670 E812	V623-H626 VanDerWaalsContact CG2-C 3.43Å; V623-H626 HydrophobicContact CG2-CB 4.08Å; V623-H626 WeakPolarHBondContact CG2-O 3.45Å; H626-D667 IonicContact CD2-OD2 3.88Å; H626-D667 PolarHBondContact CD2-OD2 2.67Å; H626-D667 IonicContact CG-OD2 3.91Å; H626-H670 HydrophobicContact CB-CB 3.87Å; H626-H670 WeakPolarHBondContact CB-ND1 3.34Å; H626-H670 AromaticContact CE1-CE1 3.91Å; H626-H670 AromaticContact CG-CE1 3.66Å; H626-H670 AromaticContact CG-CG 3.93Å; H626-H670 AromaticContact CG-ND1 3.66Å; H626-H670 AromaticContact CG-NE2 3.95Å; H626-H670 AromaticContact ND1-CE1 3.38Å; H626-H670 PolarHBondContact ND1-CE1 3.23Å; H626-H670 AromaticContact ND1-ND1 3.72Å; H626-H670 AromaticContact ND1-NE2 3.91Å; H626-E812 IonicContact CE1-OE1 2.84Å; H626-E812 PolarHBondContact CE1-OE1 3.35Å; H626-E812 IonicContact CG-OE1 3.03Å; H626-E812 PolarHBondContact N-OE2 3.28Å; H626-E812 IonicContact ND1-OE1 3.48Å; H626-E812 PolarHBondContact ND1-OE1 3.18Å; H626-E812 IonicContact ND1-OE2 3.71Å
627	N	97.6	Very high	97.4	Very high	15 Å²	15	22.6 Å²	22.6	8%	0.08	10%	0.096	C	C	.	.	S	Bend	trans	-116.4	-180	-177.8	59.1	55	0	0	0	111.4	N621 V623 P624 F625 K629 H630 A631	N621-N627 WeakPolarHBondContact O-CB 3.28Å; V623-N627 PolarHBondContact O-ND2 3.1Å; P624-N627 PolarHBondContact O-ND2 3.2Å; F625-N627 PolarHBondContact O-N 2.84Å; F625-N627 PolarHBondContact O-ND2 3.27Å; N627-K629 PolarHBondContact O-N 3.03Å; N627-K629 VanDerWaalsContact O-N 3.15Å; N627-K629 WeakPolarHBondContact OD1-CB 3.15Å; N627-K629 PolarHBondContact OD1-N 3.12Å; N627-H630 WeakPolarHBondContact O-CA 3.32Å; N627-H630 WeakPolarHBondContact O-CB 3.45Å; N627-H630 PolarHBondContact O-N 3.33Å; N627-H630 PolarHBondContact OD1-N 3.34Å; N627-A631 PolarHBondContact O-N 3.18Å; N627-A631 VanDerWaalsContact O-N 3.16Å
628	Y	98.2	Very high	97.5	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-57.5	-32.9	-178	-174.2	-103.4	0	0	0	114	L585 I586 I616 Y617 Y620 H630 A631 F632 I664	L585-Y628 HydrophobicContact CB-CE1 4.14Å; I586-Y628 WeakPolarHBondContact CA-OH 3.34Å; I586-Y628 HydrophobicContact CG1-CE1 3.73Å; I586-Y628 VanDerWaalsContact CG1-OH 3.27Å; I586-Y628 WeakPolarHBondContact CG1-OH 3.49Å; I616-Y628 HydrophobicContact CG2-CE2 4.23Å; Y617-Y628 AromaticContact CD2-CD1 3.57Å; Y617-Y628 HydrophobicContact CD2-CD1 3.57Å; Y617-Y628 AromaticContact CD2-CD2 3.84Å; Y617-Y628 HydrophobicContact CD2-CD2 3.84Å; Y617-Y628 AromaticContact CD2-CE1 3.94Å; Y617-Y628 HydrophobicContact CD2-CE1 3.94Å; Y617-Y628 HydrophobicContact CD2-CE2 4.18Å; Y617-Y628 AromaticContact CD2-CG 3.52Å; Y617-Y628 HydrophobicContact CD2-CG 3.52Å; Y617-Y628 AromaticContact CE2-CD1 3.94Å; Y617-Y628 HydrophobicContact CE2-CD1 3.94Å; Y617-Y628 HydrophobicContact CE2-CG 4.08Å; Y620-Y628 AromaticContact CD2-CD2 3.81Å; Y620-Y628 HydrophobicContact CD2-CD2 3.81Å; Y620-Y628 HydrophobicContact CE2-CD2 4.43Å; Y620-Y628 HydrophobicContact CG-CD2 4.26Å; Y628-H630 VanDerWaalsContact C-N 3.28Å; Y628-H630 PolarHBondContact O-N 2.95Å; Y628-A631 PolarHBondContact O-N 3.47Å; Y628-F632 PolarHBondContact O-N 2.7Å; Y628-I664 HydrophobicContact CE2-CD1 4.16Å
629	K	98.2	Very high	97.7	Very high	35 Å²	35	18.3 Å²	18.3	15%	0.152	8%	0.08	C	C	.	.	H	α-helix	trans	-66.4	-33.4	176.5	-72.8	-173	173.3	-72.9	0	111.2	N577 W578 R580 D582 L585 N627 M633 W805	N577-K629 PolarHBondContact O-NZ 2.73Å; W578-K629 HydrophobicContact CZ3-CD 4.21Å; R580-K629 PolarHBondContact O-NZ 3.17Å; D582-K629 WeakPolarHBondContact OD1-CE 3.37Å; D582-K629 IonicContact OD1-NZ 3.78Å; L585-K629 HydrophobicContact CD1-CG 3.8Å; N627-K629 PolarHBondContact O-N 3.03Å; N627-K629 VanDerWaalsContact O-N 3.15Å; N627-K629 WeakPolarHBondContact OD1-CB 3.15Å; N627-K629 PolarHBondContact OD1-N 3.12Å; K629-M633 VanDerWaalsContact O-CG 3.22Å; K629-M633 WeakPolarHBondContact O-CG 3.46Å; K629-M633 PolarHBondContact O-N 3.28Å; K629-W805 HydrophobicContact CB-CH2 3.89Å; K629-W805 HydrophobicContact CB-CZ2 4.13Å
630	H	98.6	Very high	97.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67.2	-50.2	174.6	169	61.5	0	0	0	109.7	F625 N627 Y628 F632 M633 V634 H666 D667 D791 W805	F625-H630 AromaticContact CE1-CE1 3.88Å; F625-H630 AromaticContact CE1-ND1 3.9Å; F625-H630 VanDerWaalsContact O-CB 3.27Å; F625-H630 WeakPolarHBondContact O-CB 3.43Å; N627-H630 WeakPolarHBondContact O-CA 3.32Å; N627-H630 WeakPolarHBondContact O-CB 3.45Å; N627-H630 PolarHBondContact O-N 3.33Å; N627-H630 PolarHBondContact OD1-N 3.34Å; Y628-H630 VanDerWaalsContact C-N 3.28Å; Y628-H630 PolarHBondContact O-N 2.95Å; H630-F632 VanDerWaalsContact C-N 3.27Å; H630-F632 PolarHBondContact O-N 2.78Å; H630-M633 WeakPolarHBondContact O-CA 3.26Å; H630-M633 PolarHBondContact O-N 3.32Å; H630-V634 VanDerWaalsContact CE1-CG2 3.41Å; H630-V634 WeakPolarHBondContact CE1-CG2 3.44Å; H630-V634 WeakPolarHBondContact O-CG2 3.49Å; H630-V634 PolarHBondContact O-N 3.33Å; H630-H666 AromaticContact CD2-CE1 4Å; H630-H666 AromaticContact CD2-NE2 3.88Å; H630-H666 AromaticContact NE2-CE1 3.67Å; H630-H666 AromaticContact NE2-NE2 3.24Å; H630-H666 PolarHBondContact NE2-NE2 2.94Å; H630-D667 IonicContact CD2-OD2 2.7Å; H630-D667 PolarHBondContact CD2-OD2 3.45Å; H630-D667 IonicContact NE2-OD2 2.64Å; H630-D667 PolarHBondContact NE2-OD2 3.37Å; H630-D791 IonicContact CE1-OD1 2.86Å; H630-D791 PolarHBondContact CE1-OD1 2.91Å; H630-D791 IonicContact NE2-OD1 2.72Å; H630-W805 HydrophobicContact CB-CH2 3.74Å; H630-W805 HydrophobicContact CB-CZ3 3.94Å
631	A	98.8	Very high	97.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-52.3	-43.7	174.9	0	0	0	0	0	113.2	Y620 N627 Y628 V634 T635 I664	Y620-A631 HydrophobicContact CD1-CB 4.37Å; Y620-A631 HydrophobicContact CD2-CB 4.43Å; Y620-A631 HydrophobicContact CE1-CB 3.63Å; Y620-A631 HydrophobicContact CE2-CB 3.71Å; Y620-A631 VanDerWaalsContact OH-CB 3.26Å; Y620-A631 WeakPolarHBondContact OH-CB 3.43Å; N627-A631 PolarHBondContact O-N 3.18Å; N627-A631 VanDerWaalsContact O-N 3.16Å; Y628-A631 PolarHBondContact O-N 3.47Å; A631-V634 PolarHBondContact O-N 3.22Å; A631-T635 WeakPolarHBondContact O-CB 3.23Å; A631-T635 PolarHBondContact O-N 3.29Å; A631-T635 PolarHBondContact O-OG1 3.18Å; A631-I664 HydrophobicContact CB-CD1 4.35Å
632	F	98.8	Very high	98.1	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-59.4	-48	172.7	173.6	-88	0	0	0	111.8	L570 F575 L585 L588 V589 M592 Y628 H630 V634 T635 Q636	L570-F632 HydrophobicContact CD1-CZ 4.06Å; F575-F632 AromaticContact CD1-CE1 3.81Å; F575-F632 HydrophobicContact CD1-CE1 3.81Å; F575-F632 HydrophobicContact CD1-CZ 4.39Å; F575-F632 HydrophobicContact CE1-CD1 4.38Å; F575-F632 AromaticContact CE1-CE1 3.29Å; F575-F632 HydrophobicContact CE1-CE1 3.29Å; F575-F632 AromaticContact CE1-CZ 3.71Å; F575-F632 HydrophobicContact CE1-CZ 3.71Å; F575-F632 AromaticContact CZ-CE1 3.88Å; F575-F632 HydrophobicContact CZ-CE1 3.88Å; F575-F632 AromaticContact CZ-CZ 3.79Å; F575-F632 HydrophobicContact CZ-CZ 3.79Å; L585-F632 HydrophobicContact CB-CB 4.45Å; L585-F632 HydrophobicContact CB-CD2 3.7Å; L585-F632 HydrophobicContact CB-CE2 4.14Å; L585-F632 HydrophobicContact CB-CG 3.98Å; L585-F632 HydrophobicContact CD1-CB 4.24Å; L585-F632 HydrophobicContact CD1-CD1 4.19Å; L585-F632 HydrophobicContact CD1-CG 4.06Å; L585-F632 HydrophobicContact CD2-CD1 3.73Å; L585-F632 HydrophobicContact CD2-CD2 4.02Å; L585-F632 HydrophobicContact CD2-CE1 3.64Å; L585-F632 HydrophobicContact CD2-CE2 3.9Å; L585-F632 HydrophobicContact CD2-CG 3.94Å; L585-F632 HydrophobicContact CD2-CZ 3.71Å; L585-F632 HydrophobicContact CG-CD1 4.39Å; L585-F632 HydrophobicContact CG-CD2 4.29Å; L585-F632 HydrophobicContact CG-CG 4.2Å; L588-F632 HydrophobicContact CB-CE2 3.85Å; L588-F632 HydrophobicContact CB-CZ 4.29Å; L588-F632 HydrophobicContact CD1-CE2 4.4Å; L588-F632 HydrophobicContact CD1-CZ 4.15Å; V589-F632 HydrophobicContact CG2-CD2 3.77Å; V589-F632 HydrophobicContact CG2-CE2 4.2Å; M592-F632 HydrophobicContact CE-CE2 4.04Å; M592-F632 HydrophobicContact CE-CZ 4.28Å; Y628-F632 PolarHBondContact O-N 2.7Å; H630-F632 VanDerWaalsContact C-N 3.27Å; H630-F632 PolarHBondContact O-N 2.78Å; F632-V634 VanDerWaalsContact C-N 3.31Å; F632-V634 PolarHBondContact O-N 3.25Å; F632-T635 PolarHBondContact O-N 3.27Å; F632-Q636 HydrophobicContact CD1-CB 4.42Å; F632-Q636 HydrophobicContact CE1-CB 3.88Å; F632-Q636 HydrophobicContact CE1-CG 4.14Å; F632-Q636 HydrophobicContact CZ-CB 4.07Å; F632-Q636 HydrophobicContact CZ-CG 4.16Å; F632-Q636 VanDerWaalsContact O-CB 3.28Å; F632-Q636 WeakPolarHBondContact O-CB 3.42Å; F632-Q636 PolarHBondContact O-N 2.81Å
633	M	98.6	Very high	98.3	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-65.6	-33.7	-177.4	-70.2	-59.4	-90.4	0	0	112.8	F575 N577 K629 H630 M637 R797 V801 W805	F575-M633 HydrophobicContact CD1-SD 4.18Å; N577-M633 HydrophobicContact CB-CE 4.21Å; N577-M633 HydrophobicContact CB-CG 4.19Å; N577-M633 HydrophobicContact CB-SD 3.55Å; N577-M633 VanDerWaalsContact CB-SD 3.55Å; K629-M633 VanDerWaalsContact O-CG 3.22Å; K629-M633 WeakPolarHBondContact O-CG 3.46Å; K629-M633 PolarHBondContact O-N 3.28Å; H630-M633 WeakPolarHBondContact O-CA 3.26Å; H630-M633 PolarHBondContact O-N 3.32Å; M633-M637 WeakPolarHBondContact O-CB 3.45Å; M633-M637 PolarHBondContact O-N 3.25Å; M633-R797 VanDerWaalsContact CE-CD 3.4Å; M633-R797 VanDerWaalsContact CE-NE 3.29Å; M633-R797 PolarHBondContact O-NH2 2.71Å; M633-V801 HydrophobicContact CE-CG1 3.78Å; M633-W805 HydrophobicContact CG-CZ2 3.91Å
634	V	98.9	Very high	98.2	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-66.6	-47.6	171.8	-180	0	0	0	0	110.3	H630 A631 F632 Q636 M637 C638 A663 L787 S790 D791	H630-V634 VanDerWaalsContact CE1-CG2 3.41Å; H630-V634 WeakPolarHBondContact CE1-CG2 3.44Å; H630-V634 WeakPolarHBondContact O-CG2 3.49Å; H630-V634 PolarHBondContact O-N 3.33Å; A631-V634 PolarHBondContact O-N 3.22Å; F632-V634 VanDerWaalsContact C-N 3.31Å; F632-V634 PolarHBondContact O-N 3.25Å; V634-Q636 VanDerWaalsContact C-N 3.33Å; V634-Q636 PolarHBondContact O-N 2.92Å; V634-M637 PolarHBondContact O-N 2.89Å; V634-C638 PolarHBondContact O-N 3Å; V634-A663 HydrophobicContact CG1-CB 4.05Å; V634-L787 HydrophobicContact CG1-CD1 3.93Å; V634-S790 WeakPolarHBondContact O-CB 3.47Å; V634-D791 HydrophobicContact CG1-CB 4.38Å
635	T	98.9	Very high	98.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-60.1	-43.7	177.2	-51.3	0	0	0	0	111.7	M592 A631 F632 C638 Y639 I660 A663 I664	M592-T635 HydrophobicContact SD-CG2 3.78Å; A631-T635 WeakPolarHBondContact O-CB 3.23Å; A631-T635 PolarHBondContact O-N 3.29Å; A631-T635 PolarHBondContact O-OG1 3.18Å; F632-T635 PolarHBondContact O-N 3.27Å; T635-C638 WeakPolarHBondContact O-CB 3.37Å; T635-C638 PolarHBondContact O-N 2.87Å; T635-Y639 WeakPolarHBondContact O-CB 3.43Å; T635-Y639 PolarHBondContact O-N 3.42Å; T635-I660 HydrophobicContact CG2-CD1 4.35Å; T635-I660 HydrophobicContact CG2-CG2 4.11Å; T635-A663 HydrophobicContact CG2-CB 4.43Å; T635-I664 HydrophobicContact CG2-CB 4.3Å; T635-I664 VanDerWaalsContact OG1-CA 3.24Å; T635-I664 WeakPolarHBondContact OG1-CA 3.48Å; T635-I664 WeakPolarHBondContact OG1-CB 3.43Å; T635-I664 WeakPolarHBondContact OG1-CD1 3.42Å; T635-I664 PolarHBondContact OG1-N 3.41Å; T635-I664 VanDerWaalsContact OG1-N 3.17Å
636	Q	98.7	Very high	98	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.8	-38.9	178.2	-170.2	-85.3	-30	0	0	111.7	L570 S572 F575 M592 F632 V634 Y639 V640 R797	L570-Q636 HydrophobicContact CD1-CG 3.99Å; L570-Q636 PolarHBondContact O-NE2 2.87Å; S572-Q636 PolarHBondContact O-NE2 3.41Å; F575-Q636 HydrophobicContact CB-CG 4.5Å; F575-Q636 HydrophobicContact CG-CG 4.39Å; M592-Q636 HydrophobicContact CE-CB 3.81Å; M592-Q636 HydrophobicContact CE-CG 4.03Å; F632-Q636 HydrophobicContact CD1-CB 4.42Å; F632-Q636 HydrophobicContact CE1-CB 3.88Å; F632-Q636 HydrophobicContact CE1-CG 4.14Å; F632-Q636 HydrophobicContact CZ-CB 4.07Å; F632-Q636 HydrophobicContact CZ-CG 4.16Å; F632-Q636 VanDerWaalsContact O-CB 3.28Å; F632-Q636 WeakPolarHBondContact O-CB 3.42Å; F632-Q636 PolarHBondContact O-N 2.81Å; V634-Q636 VanDerWaalsContact C-N 3.33Å; V634-Q636 PolarHBondContact O-N 2.92Å; Q636-Y639 WeakPolarHBondContact O-CB 3.43Å; Q636-Y639 PolarHBondContact O-N 3.11Å; Q636-V640 VanDerWaalsContact O-CG2 3.3Å; Q636-V640 WeakPolarHBondContact O-CG2 3.44Å; Q636-V640 PolarHBondContact O-N 3.35Å; Q636-R797 VanDerWaalsContact OE1-CZ 3.28Å
637	M	98.8	Very high	98	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.7	-39.9	173.8	-173.6	58.5	72.5	0	0	111.8	M633 V634 Y639 V640 L641 S793 A796 R797 I868	M633-M637 WeakPolarHBondContact O-CB 3.45Å; M633-M637 PolarHBondContact O-N 3.25Å; V634-M637 PolarHBondContact O-N 2.89Å; M637-Y639 VanDerWaalsContact C-N 3.3Å; M637-Y639 PolarHBondContact O-N 3.3Å; M637-V640 PolarHBondContact O-N 3.44Å; M637-V640 HydrophobicContact SD-CB 4.3Å; M637-V640 HydrophobicContact SD-CG1 4.4Å; M637-L641 HydrophobicContact CG-CD1 4.25Å; M637-L641 HydrophobicContact CG-CG 4.39Å; M637-L641 WeakPolarHBondContact O-CG 3.31Å; M637-L641 PolarHBondContact O-N 3.43Å; M637-L641 HydrophobicContact SD-CG 4.38Å; M637-S793 WeakPolarHBondContact CG-OG 3.29Å; M637-A796 HydrophobicContact CE-CB 4.43Å; M637-R797 HydrophobicContact CE-CG 4.42Å; M637-I868 HydrophobicContact SD-CG2 4.25Å
638	C	98.5	Very high	97.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-56.4	-46.4	171.4	-86.6	0	0	0	0	110.9	V634 T635 V640 L641 I642 I660 A663 S790	V634-C638 PolarHBondContact O-N 3Å; T635-C638 WeakPolarHBondContact O-CB 3.37Å; T635-C638 PolarHBondContact O-N 2.87Å; C638-V640 PolarHBondContact O-N 3.31Å; C638-L641 PolarHBondContact O-N 2.85Å; C638-I642 VanDerWaalsContact O-CG1 3.27Å; C638-I642 WeakPolarHBondContact O-CG1 3.31Å; C638-I642 PolarHBondContact O-N 3.19Å; C638-I660 HydrophobicContact CB-CD1 4.28Å; C638-A663 HydrophobicContact CB-CB 4.22Å; C638-S790 WeakPolarHBondContact CA-OG 3.45Å; C638-S790 PolarHBondContact N-OG 3.39Å; C638-S790 WeakPolarHBondContact SG-CB 3.24Å; C638-S790 PolarHBondContact SG-OG 3.42Å
639	Y	98.7	Very high	97.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.1	-45.4	176	-179.5	-101.8	0	0	0	112	L570 R571 M592 E595 L596 T635 Q636 M637 L641 I642 W643	L570-Y639 HydrophobicContact CD2-CE1 4.25Å; L570-Y639 HydrophobicContact CG-CD1 4.25Å; L570-Y639 HydrophobicContact CG-CE1 4.02Å; R571-Y639 HydrophobicContact CB-CE1 4.42Å; R571-Y639 HydrophobicContact CG-CD1 4.47Å; R571-Y639 HydrophobicContact CG-CE1 3.5Å; R571-Y639 VanDerWaalsContact CG-CE1 3.5Å; R571-Y639 PolarHBondContact NE-OH 2.92Å; M592-Y639 HydrophobicContact CB-CD2 3.84Å; M592-Y639 HydrophobicContact CB-CE2 4.03Å; M592-Y639 HydrophobicContact CG-CD1 4.35Å; M592-Y639 HydrophobicContact CG-CD2 3.68Å; M592-Y639 HydrophobicContact CG-CE2 3.99Å; M592-Y639 HydrophobicContact CG-CG 3.89Å; M592-Y639 HydrophobicContact SD-CD2 4.3Å; M592-Y639 HydrophobicContact SD-CG 4.1Å; E595-Y639 HydrophobicContact CB-CE2 4.37Å; E595-Y639 WeakPolarHBondContact CB-OH 3.33Å; L596-Y639 HydrophobicContact CD1-CD2 3.89Å; L596-Y639 HydrophobicContact CD1-CE2 4.23Å; L596-Y639 HydrophobicContact CD2-CD2 4.38Å; L596-Y639 HydrophobicContact CD2-CE2 4.23Å; L596-Y639 HydrophobicContact CG-CD2 4.08Å; L596-Y639 HydrophobicContact CG-CE2 3.92Å; T635-Y639 WeakPolarHBondContact O-CB 3.43Å; T635-Y639 PolarHBondContact O-N 3.42Å; Q636-Y639 WeakPolarHBondContact O-CB 3.43Å; Q636-Y639 PolarHBondContact O-N 3.11Å; M637-Y639 VanDerWaalsContact C-N 3.3Å; M637-Y639 PolarHBondContact O-N 3.3Å; Y639-L641 PolarHBondContact O-N 3.12Å; Y639-I642 PolarHBondContact O-N 2.95Å; Y639-W643 AromaticContact CD2-NE1 3.77Å; Y639-W643 AromaticContact CE1-CD1 3.83Å; Y639-W643 AromaticContact CE1-NE1 3.86Å; Y639-W643 AromaticContact CE2-CD1 3.78Å; Y639-W643 AromaticContact CE2-NE1 3.14Å; Y639-W643 AromaticContact CZ-CD1 3.65Å; Y639-W643 AromaticContact CZ-NE1 3.18Å; Y639-W643 PolarHBondContact O-N 2.81Å; Y639-W643 PolarHBondContact OH-NE1 3.14Å
640	V	98.6	Very high	97.7	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.024	9%	0.091	C	C	.	.	H	α-helix	trans	-60.2	-44.2	174.9	172.2	0	0	0	0	111.7	Q636 M637 C638 I642 W643 G644 I867	Q636-V640 VanDerWaalsContact O-CG2 3.3Å; Q636-V640 WeakPolarHBondContact O-CG2 3.44Å; Q636-V640 PolarHBondContact O-N 3.35Å; M637-V640 PolarHBondContact O-N 3.44Å; M637-V640 HydrophobicContact SD-CB 4.3Å; M637-V640 HydrophobicContact SD-CG1 4.4Å; C638-V640 PolarHBondContact O-N 3.31Å; V640-I642 VanDerWaalsContact C-N 3.34Å; V640-W643 PolarHBondContact O-N 3.03Å; V640-G644 WeakPolarHBondContact O-CA 3.48Å; V640-G644 PolarHBondContact O-N 2.96Å; V640-I867 HydrophobicContact CG1-CG2 3.62Å
641	L	98.5	Very high	97.6	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-68.3	-33.3	179.1	-68.9	175	0	0	0	112.3	M637 C638 Y639 G645 I786 I789 V864 I868	M637-L641 HydrophobicContact CG-CD1 4.25Å; M637-L641 HydrophobicContact CG-CG 4.39Å; M637-L641 WeakPolarHBondContact O-CG 3.31Å; M637-L641 PolarHBondContact O-N 3.43Å; M637-L641 HydrophobicContact SD-CG 4.38Å; C638-L641 PolarHBondContact O-N 2.85Å; Y639-L641 PolarHBondContact O-N 3.12Å; L641-G645 WeakPolarHBondContact O-CA 3.45Å; L641-G645 PolarHBondContact O-N 3.09Å; L641-I786 HydrophobicContact CB-CG2 4.33Å; L641-I786 HydrophobicContact CD1-CG2 4.04Å; L641-I789 HydrophobicContact CD1-CB 4.43Å; L641-I789 HydrophobicContact CD1-CG2 3.81Å; L641-V864 HydrophobicContact CD2-CB 4.07Å; L641-V864 HydrophobicContact CD2-CG1 3.98Å; L641-I868 HydrophobicContact CD2-CG2 3.97Å
642	I	98.3	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.1	-47.3	175.4	-73.7	164.1	0	0	0	110.8	L596 C638 Y639 V640 L647 T648 L659 I660	L596-I642 HydrophobicContact CD1-CD1 4.45Å; L596-I642 HydrophobicContact CD2-CG2 3.84Å; C638-I642 VanDerWaalsContact O-CG1 3.27Å; C638-I642 WeakPolarHBondContact O-CG1 3.31Å; C638-I642 PolarHBondContact O-N 3.19Å; Y639-I642 PolarHBondContact O-N 2.95Å; V640-I642 VanDerWaalsContact C-N 3.34Å; I642-L647 HydrophobicContact CG1-CD1 4.5Å; I642-L647 HydrophobicContact CG2-CB 4.47Å; I642-L647 WeakPolarHBondContact O-CB 3.39Å; I642-L647 PolarHBondContact O-N 3.16Å; I642-T648 HydrophobicContact CG2-CG2 3.53Å; I642-T648 PolarHBondContact O-N 3.16Å; I642-L659 HydrophobicContact CD1-CB 4.33Å; I642-L659 HydrophobicContact CD1-CD1 4.25Å; I642-L659 HydrophobicContact CG1-CD1 4.21Å; I642-I660 HydrophobicContact CD1-CD1 3.94Å; I642-I660 HydrophobicContact CD1-CG1 4.09Å
643	W	97.2	Very high	97.4	Very high	78 Å²	78	21.9 Å²	21.9	30%	0.295	12%	0.119	S	C	.	.	H	α-helix	trans	-75.4	-48.8	177.7	-70.7	106.6	0	0	0	112.7	R571 L596 Y639 V640 G645 N646 T648	R571-W643 VanDerWaalsContact NH1-CE2 3.32Å; R571-W643 VanDerWaalsContact NH1-CZ3 3.32Å; L596-W643 HydrophobicContact CD2-CZ2 4.06Å; Y639-W643 AromaticContact CD2-NE1 3.77Å; Y639-W643 AromaticContact CE1-CD1 3.83Å; Y639-W643 AromaticContact CE1-NE1 3.86Å; Y639-W643 AromaticContact CE2-CD1 3.78Å; Y639-W643 AromaticContact CE2-NE1 3.14Å; Y639-W643 AromaticContact CZ-CD1 3.65Å; Y639-W643 AromaticContact CZ-NE1 3.18Å; Y639-W643 PolarHBondContact O-N 2.81Å; Y639-W643 PolarHBondContact OH-NE1 3.14Å; V640-W643 PolarHBondContact O-N 3.03Å; W643-G645 VanDerWaalsContact C-N 3.33Å; W643-G645 PolarHBondContact O-N 2.86Å; W643-N646 PolarHBondContact O-N 3.25Å; W643-T648 HydrophobicContact CD2-CG2 3.96Å; W643-T648 HydrophobicContact CE3-CG2 3.8Å; W643-T648 HydrophobicContact CH2-CG2 4.13Å; W643-T648 HydrophobicContact CZ2-CG2 4.26Å; W643-T648 HydrophobicContact CZ3-CG2 3.9Å
644	G	95.7	Very high	97.3	Very high	29 Å²	29	23.2 Å²	23.2	30%	0.299	13%	0.126	S	C	.	.	H	α-helix	trans	-69.7	-26.1	-174.9	0	0	0	0	0	114.3	V640 E863	V640-G644 WeakPolarHBondContact O-CA 3.48Å; V640-G644 PolarHBondContact O-N 2.96Å; G644-E863 VanDerWaalsContact O-CB 3.3Å; G644-E863 WeakPolarHBondContact O-CB 3.46Å
645	G	95.6	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	11.4	173.5	0	0	0	0	0	114.2	L641 W643 L647	L641-G645 WeakPolarHBondContact O-CA 3.45Å; L641-G645 PolarHBondContact O-N 3.09Å; W643-G645 VanDerWaalsContact C-N 3.33Å; W643-G645 PolarHBondContact O-N 2.86Å; G645-L647 PolarHBondContact O-N 3.33Å; G645-L647 VanDerWaalsContact O-N 3.09Å
646	N	95.5	Very high	97.3	Very high	71 Å²	71	23.8 Å²	23.8	38%	0.38	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	27.2	-176.9	-168.8	32.1	0	0	0	113.8	W643 T648 N649 L650	W643-N646 PolarHBondContact O-N 3.25Å; N646-T648 PolarHBondContact O-N 2.98Å; N646-N649 PolarHBondContact O-N 3.45Å; N646-N649 PolarHBondContact OD1-ND2 3.34Å; N646-L650 PolarHBondContact O-N 3.23Å
647	L	97	Very high	97.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-73.7	-18.6	-175.4	-58	178.6	0	0	0	112.4	I642 G645 N649 L650 L651 W772 I786 L861	I642-L647 HydrophobicContact CG1-CD1 4.5Å; I642-L647 HydrophobicContact CG2-CB 4.47Å; I642-L647 WeakPolarHBondContact O-CB 3.39Å; I642-L647 PolarHBondContact O-N 3.16Å; G645-L647 PolarHBondContact O-N 3.33Å; G645-L647 VanDerWaalsContact O-N 3.09Å; L647-N649 PolarHBondContact O-N 3.04Å; L647-L650 HydrophobicContact CD2-CD1 4.34Å; L647-L650 PolarHBondContact O-N 3.15Å; L647-L651 HydrophobicContact CB-CD1 4.05Å; L647-L651 HydrophobicContact CB-CG 4.18Å; L647-L651 HydrophobicContact CD1-CD1 4.22Å; L647-L651 HydrophobicContact CD2-CD1 4.45Å; L647-L651 HydrophobicContact CD2-CG 4.41Å; L647-L651 HydrophobicContact CG-CD1 4.5Å; L647-L651 WeakPolarHBondContact O-CB 3.49Å; L647-L651 PolarHBondContact O-N 3.06Å; L647-W772 HydrophobicContact CD2-CH2 4.07Å; L647-I786 HydrophobicContact CD1-CD1 3.38Å; L647-I786 HydrophobicContact CD1-CG1 4.37Å; L647-L861 HydrophobicContact CD2-CD1 3.86Å
648	T	96.4	Very high	97.2	Very high	34 Å²	34	23.9 Å²	23.9	21%	0.209	13%	0.129	C	C	.	.	H	α-helix	trans	-57.6	-30.3	171.3	54.6	0	0	0	0	112.5	L596 I642 W643 N646 Q656	L596-T648 HydrophobicContact CD2-CG2 4.3Å; I642-T648 HydrophobicContact CG2-CG2 3.53Å; I642-T648 PolarHBondContact O-N 3.16Å; W643-T648 HydrophobicContact CD2-CG2 3.96Å; W643-T648 HydrophobicContact CE3-CG2 3.8Å; W643-T648 HydrophobicContact CH2-CG2 4.13Å; W643-T648 HydrophobicContact CZ2-CG2 4.26Å; W643-T648 HydrophobicContact CZ3-CG2 3.9Å; N646-T648 PolarHBondContact O-N 2.98Å; T648-Q656 PolarHBondContact O-NE2 3.41Å
649	N	95	Very high	97.3	Very high	110 Å²	110	23.9 Å²	23.9	59%	0.588	13%	0.129	S	C	*	.	H	α-helix	trans	-94.1	-25.5	178.5	-69.7	-36.5	0	0	0	112.9	N646 L647	N646-N649 PolarHBondContact O-N 3.45Å; N646-N649 PolarHBondContact OD1-ND2 3.34Å; L647-N649 PolarHBondContact O-N 3.04Å
650	L	96.1	Very high	97.3	Very high	19 Å²	19	23.9 Å²	23.9	10%	0.099	13%	0.129	C	C	.	.	H	α-helix	trans	-88.5	-52.1	-177.1	-61.5	175.5	0	0	0	111.3	N646 L647 W761 K769 P770 W772 V773	N646-L650 PolarHBondContact O-N 3.23Å; L647-L650 HydrophobicContact CD2-CD1 4.34Å; L647-L650 PolarHBondContact O-N 3.15Å; L650-W761 HydrophobicContact CD1-CH2 4.1Å; L650-K769 PolarHBondContact O-NZ 3.36Å; L650-P770 HydrophobicContact CD2-CG 3.97Å; L650-W772 HydrophobicContact CB-CH2 4.47Å; L650-W772 HydrophobicContact CB-CZ2 4.45Å; L650-W772 HydrophobicContact CD1-CH2 4.41Å; L650-W772 HydrophobicContact CD1-CZ2 3.77Å; L650-V773 HydrophobicContact CB-CG2 4.12Å; L650-V773 WeakPolarHBondContact O-CG1 3.3Å
651	L	97.1	Very high	97.3	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	13%	0.129	C	C	.	.	S	Bend	trans	-84.1	143.1	-177.2	-61.6	-177	0	0	0	111.8	L647 D655 Q656 L659 W772 K779 M783	L647-L651 HydrophobicContact CB-CD1 4.05Å; L647-L651 HydrophobicContact CB-CG 4.18Å; L647-L651 HydrophobicContact CD1-CD1 4.22Å; L647-L651 HydrophobicContact CD2-CD1 4.45Å; L647-L651 HydrophobicContact CD2-CG 4.41Å; L647-L651 HydrophobicContact CG-CD1 4.5Å; L647-L651 WeakPolarHBondContact O-CB 3.49Å; L647-L651 PolarHBondContact O-N 3.06Å; L651-D655 HydrophobicContact CB-CB 4.06Å; L651-Q656 HydrophobicContact CB-CG 4.05Å; L651-Q656 PolarHBondContact O-NE2 2.91Å; L651-L659 HydrophobicContact CD1-CD1 3.82Å; L651-W772 HydrophobicContact CD2-CH2 4.39Å; L651-W772 HydrophobicContact CD2-CZ3 4.22Å; L651-K779 HydrophobicContact CD2-CD 3.89Å; L651-K779 HydrophobicContact CD2-CG 4.05Å; L651-M783 HydrophobicContact CD1-CG 4.45Å
652	D	96.1	Very high	97.3	Very high	69 Å²	69	23.9 Å²	23.9	37%	0.369	13%	0.129	S	C	.	.			trans	-69.9	158.8	173.8	-53.2	-39.3	0	0	0	110.2	D654 D655 Q656 K769 K779	D652-D654 PolarHBondContact O-N 3.32Å; D652-D655 WeakPolarHBondContact O-CB 3.27Å; D652-D655 PolarHBondContact O-N 3.11Å; D652-Q656 PolarHBondContact O-N 3.09Å; D652-K769 IonicContact OD1-NZ 3.6Å; D652-K769 PolarHBondContact OD1-NZ 3.01Å; D652-K779 IonicContact OD2-NZ 3.9Å
653	I	97	Very high	97.3	Very high	39 Å²	39	23.9 Å²	23.9	20%	0.2	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-31	-176.5	-167.4	155.6	0	0	0	113.2	F598 H601 Y602 Q656 L657	F598-I653 HydrophobicContact CD1-CD1 4.13Å; F598-I653 HydrophobicContact CD1-CG1 3.71Å; F598-I653 HydrophobicContact CE1-CG1 3.86Å; H601-I653 HydrophobicContact CB-CD1 3.45Å; H601-I653 VanDerWaalsContact CB-CD1 3.45Å; H601-I653 WeakPolarHBondContact NE2-CG2 3.48Å; Y602-I653 HydrophobicContact CE2-CG1 4.25Å; I653-Q656 PolarHBondContact O-N 3Å; I653-L657 WeakPolarHBondContact O-CB 3.19Å; I653-L657 PolarHBondContact O-N 3.16Å
654	D	97.3	Very high	97.4	Very high	28 Å²	28	20.1 Å²	20.1	15%	0.15	12%	0.115	C	C	.	.	H	α-helix	trans	-60.4	-42.8	170.5	-71.1	26.2	0	0	0	112	Y602 D652 L657 I658 R725	Y602-D654 VanDerWaalsContact OH-CA 3.25Å; Y602-D654 WeakPolarHBondContact OH-CA 3.18Å; Y602-D654 PolarHBondContact OH-N 3.07Å; Y602-D654 PolarHBondContact OH-OD1 3.39Å; D652-D654 PolarHBondContact O-N 3.32Å; D654-L657 PolarHBondContact O-N 3.22Å; D654-I658 WeakPolarHBondContact O-CB 3.5Å; D654-I658 WeakPolarHBondContact O-CD1 3.14Å; D654-I658 WeakPolarHBondContact O-CG1 3.41Å; D654-I658 PolarHBondContact O-N 3.23Å; D654-R725 VanDerWaalsContact OD2-CD 3.32Å; D654-R725 WeakPolarHBondContact OD2-CD 3.26Å; D654-R725 IonicContact OD2-NE 2.7Å
655	D	98.2	Very high	97.6	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-71.1	-38.3	-178.1	-64.7	-29.6	0	0	0	110.6	L651 D652 I658 L659 R725 K779 M783	L651-D655 HydrophobicContact CB-CB 4.06Å; D652-D655 WeakPolarHBondContact O-CB 3.27Å; D652-D655 PolarHBondContact O-N 3.11Å; D655-I658 PolarHBondContact O-N 3.01Å; D655-L659 PolarHBondContact O-N 3.01Å; D655-L659 VanDerWaalsContact O-N 3.08Å; D655-R725 IonicContact OD1-CZ 2.73Å; D655-R725 IonicContact OD1-NH2 3.17Å; D655-R725 PolarHBondContact OD1-NH2 2.94Å; D655-R725 IonicContact OD2-NH2 3.83Å; D655-K779 WeakPolarHBondContact OD2-CD 3.38Å; D655-K779 VanDerWaalsContact OD2-CE 3.29Å; D655-K779 WeakPolarHBondContact OD2-CE 3.35Å; D655-K779 IonicContact OD2-NZ 2.8Å; D655-K779 PolarHBondContact OD2-NZ 3.46Å; D655-M783 HydrophobicContact CB-SD 3.73Å
656	Q	98.5	Very high	97.7	Very high	13 Å²	13	18.8 Å²	18.8	6%	0.061	10%	0.101	C	C	.	.	H	α-helix	trans	-64.5	-42.3	172.5	-62.6	177.2	51.1	0	0	111.5	F598 T648 L651 D652 I653 L659 I660	F598-Q656 HydrophobicContact CE1-CB 3.9Å; F598-Q656 HydrophobicContact CZ-CB 3.91Å; T648-Q656 PolarHBondContact O-NE2 3.41Å; L651-Q656 HydrophobicContact CB-CG 4.05Å; L651-Q656 PolarHBondContact O-NE2 2.91Å; D652-Q656 PolarHBondContact O-N 3.09Å; I653-Q656 PolarHBondContact O-N 3Å; Q656-L659 PolarHBondContact O-N 3.42Å; Q656-I660 PolarHBondContact O-N 3.26Å; Q656-I660 VanDerWaalsContact O-N 3.14Å
657	L	98.6	Very high	97.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.2	-43.4	175.1	-179.4	68.1	0	0	0	111	F593 F598 Y602 I653 D654 L659 I660 V661 F715 I726	F593-L657 HydrophobicContact CE1-CD1 3.96Å; F593-L657 HydrophobicContact CZ-CD1 4.4Å; F598-L657 HydrophobicContact CB-CD1 4.46Å; F598-L657 HydrophobicContact CD1-CB 4.31Å; F598-L657 HydrophobicContact CD1-CD1 4.41Å; F598-L657 HydrophobicContact CD2-CD1 3.7Å; F598-L657 HydrophobicContact CE1-CB 4.02Å; F598-L657 HydrophobicContact CE2-CB 4.48Å; F598-L657 HydrophobicContact CE2-CD1 3.97Å; F598-L657 HydrophobicContact CG-CD1 3.96Å; F598-L657 HydrophobicContact CZ-CB 4.12Å; F598-L657 HydrophobicContact CZ-CD1 4.44Å; Y602-L657 HydrophobicContact CD2-CD2 4.26Å; Y602-L657 HydrophobicContact CE2-CB 4.34Å; Y602-L657 HydrophobicContact CE2-CD2 3.62Å; Y602-L657 HydrophobicContact CE2-CG 4.43Å; I653-L657 WeakPolarHBondContact O-CB 3.19Å; I653-L657 PolarHBondContact O-N 3.16Å; D654-L657 PolarHBondContact O-N 3.22Å; L657-L659 VanDerWaalsContact C-N 3.31Å; L657-L659 PolarHBondContact O-N 3.48Å; L657-I660 PolarHBondContact O-N 3.04Å; L657-V661 HydrophobicContact CD1-CG2 3.7Å; L657-V661 HydrophobicContact CG-CG2 3.97Å; L657-V661 WeakPolarHBondContact O-CB 3.4Å; L657-V661 VanDerWaalsContact O-CG2 3.26Å; L657-V661 WeakPolarHBondContact O-CG2 3.34Å; L657-V661 PolarHBondContact O-N 2.83Å; L657-F715 HydrophobicContact CD1-CE1 4.07Å; L657-F715 HydrophobicContact CD1-CZ 4.04Å; L657-F715 HydrophobicContact CD2-CD1 4.45Å; L657-F715 HydrophobicContact CD2-CE1 3.85Å; L657-F715 HydrophobicContact CD2-CZ 4.28Å; L657-I726 HydrophobicContact CD2-CD1 3.65Å; L657-I726 HydrophobicContact CD2-CG1 4.3Å
658	I	98.8	Very high	97.9	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-55.6	-46.8	175.5	-74.7	159	0	0	0	110.5	D654 D655 S662 I726 V730	D654-I658 WeakPolarHBondContact O-CB 3.5Å; D654-I658 WeakPolarHBondContact O-CD1 3.14Å; D654-I658 WeakPolarHBondContact O-CG1 3.41Å; D654-I658 PolarHBondContact O-N 3.23Å; D655-I658 PolarHBondContact O-N 3.01Å; I658-S662 WeakPolarHBondContact O-CB 3.4Å; I658-S662 PolarHBondContact O-N 3.24Å; I658-S662 PolarHBondContact O-OG 3.06Å; I658-I726 HydrophobicContact CG1-CB 4.47Å; I658-I726 HydrophobicContact CG1-CG2 4.36Å; I658-V730 HydrophobicContact CG1-CG2 4.49Å; I658-V730 HydrophobicContact CG2-CG2 4.34Å
659	L	98.8	Very high	97.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.1	-50	178.9	-75.4	171.7	0	0	0	112.1	I642 L651 D655 Q656 L657 S662 A663 M783 I786	I642-L659 HydrophobicContact CD1-CB 4.33Å; I642-L659 HydrophobicContact CD1-CD1 4.25Å; I642-L659 HydrophobicContact CG1-CD1 4.21Å; L651-L659 HydrophobicContact CD1-CD1 3.82Å; D655-L659 PolarHBondContact O-N 3.01Å; D655-L659 VanDerWaalsContact O-N 3.08Å; Q656-L659 PolarHBondContact O-N 3.42Å; L657-L659 VanDerWaalsContact C-N 3.31Å; L657-L659 PolarHBondContact O-N 3.48Å; L659-S662 PolarHBondContact O-N 3.22Å; L659-A663 VanDerWaalsContact O-CB 3.3Å; L659-A663 WeakPolarHBondContact O-CB 3.32Å; L659-A663 PolarHBondContact O-N 3.27Å; L659-M783 HydrophobicContact CD1-CG 4.45Å; L659-M783 HydrophobicContact CD2-CB 3.94Å; L659-M783 HydrophobicContact CD2-CG 4.26Å; L659-M783 WeakPolarHBondContact CD2-O 3.44Å; L659-M783 HydrophobicContact CG-CG 4.37Å; L659-I786 HydrophobicContact CD1-CD1 4.39Å; L659-I786 HydrophobicContact CD1-CG2 4.34Å; L659-I786 HydrophobicContact CD2-CB 4.25Å; L659-I786 HydrophobicContact CD2-CG2 4.06Å
660	I	98.8	Very high	98.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.4	-44.2	-177.6	-65.1	-61.8	0	0	0	111.9	F593 L596 F598 T635 C638 I642 Q656 L657 A663 I664	F593-I660 HydrophobicContact CD2-CG2 4.2Å; F593-I660 HydrophobicContact CE2-CG2 3.6Å; F593-I660 HydrophobicContact CZ-CG2 4.2Å; L596-I660 HydrophobicContact CD1-CD1 4.02Å; L596-I660 HydrophobicContact CD1-CG1 3.63Å; F598-I660 HydrophobicContact CE2-CB 4.1Å; F598-I660 HydrophobicContact CE2-CG1 4.01Å; F598-I660 HydrophobicContact CE2-CG2 4.34Å; F598-I660 HydrophobicContact CZ-CG1 4.27Å; T635-I660 HydrophobicContact CG2-CD1 4.35Å; T635-I660 HydrophobicContact CG2-CG2 4.11Å; C638-I660 HydrophobicContact CB-CD1 4.28Å; I642-I660 HydrophobicContact CD1-CD1 3.94Å; I642-I660 HydrophobicContact CD1-CG1 4.09Å; Q656-I660 PolarHBondContact O-N 3.26Å; Q656-I660 VanDerWaalsContact O-N 3.14Å; L657-I660 PolarHBondContact O-N 3.04Å; I660-A663 PolarHBondContact O-N 2.91Å; I660-I664 WeakPolarHBondContact O-CG2 3.33Å; I660-I664 PolarHBondContact O-N 3.49Å; I660-I664 VanDerWaalsContact O-N 3.09Å
661	V	98.7	Very high	98	Very high	4 Å²	4	9.9 Å²	9.9	2%	0.024	5%	0.052	C	C	.	.	H	α-helix	trans	-64.9	-40.4	176.9	173.9	0	0	0	0	110.9	F593 W612 L657 I664 C665 F715 V730	F593-V661 HydrophobicContact CZ-CG2 4.27Å; W612-V661 HydrophobicContact CH2-CG1 4.19Å; W612-V661 HydrophobicContact CH2-CG2 4.09Å; W612-V661 HydrophobicContact CZ2-CG1 4.31Å; L657-V661 HydrophobicContact CD1-CG2 3.7Å; L657-V661 HydrophobicContact CG-CG2 3.97Å; L657-V661 WeakPolarHBondContact O-CB 3.4Å; L657-V661 VanDerWaalsContact O-CG2 3.26Å; L657-V661 WeakPolarHBondContact O-CG2 3.34Å; L657-V661 PolarHBondContact O-N 2.83Å; V661-I664 WeakPolarHBondContact O-CG2 3.24Å; V661-C665 VanDerWaalsContact O-CB 3.23Å; V661-C665 WeakPolarHBondContact O-CB 3.48Å; V661-C665 PolarHBondContact O-N 2.93Å; V661-C665 PolarHBondContact O-SG 3.02Å; V661-C665 VanDerWaalsContact O-SG 3.36Å; V661-F715 HydrophobicContact CG2-CE2 4.38Å; V661-F715 HydrophobicContact CG2-CZ 4.1Å; V661-V730 HydrophobicContact CB-CG2 4.12Å; V661-V730 HydrophobicContact CG1-CG1 4.42Å; V661-V730 HydrophobicContact CG1-CG2 3.85Å
662	S	98.9	Very high	98	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.1	-47.6	175.7	-55.1	0	0	0	0	110.7	I658 L659 I664 C665 H666 V730 C733	I658-S662 WeakPolarHBondContact O-CB 3.4Å; I658-S662 PolarHBondContact O-N 3.24Å; I658-S662 PolarHBondContact O-OG 3.06Å; L659-S662 PolarHBondContact O-N 3.22Å; S662-I664 PolarHBondContact O-N 3.2Å; S662-C665 PolarHBondContact O-N 2.62Å; S662-H666 WeakPolarHBondContact O-CA 3.14Å; S662-H666 VanDerWaalsContact O-CB 3.31Å; S662-H666 WeakPolarHBondContact O-CB 3.5Å; S662-H666 PolarHBondContact O-N 3.47Å; S662-V730 WeakPolarHBondContact OG-CA 3.47Å; S662-C733 WeakPolarHBondContact OG-CB 3.44Å
663	A	98.9	Very high	98.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.4	-43	-177.4	0	0	0	0	0	113.1	V634 T635 C638 L659 I660 C665 H666 L787	V634-A663 HydrophobicContact CG1-CB 4.05Å; T635-A663 HydrophobicContact CG2-CB 4.43Å; C638-A663 HydrophobicContact CB-CB 4.22Å; L659-A663 VanDerWaalsContact O-CB 3.3Å; L659-A663 WeakPolarHBondContact O-CB 3.32Å; L659-A663 PolarHBondContact O-N 3.27Å; I660-A663 PolarHBondContact O-N 2.91Å; A663-C665 VanDerWaalsContact C-N 3.28Å; A663-C665 PolarHBondContact O-N 2.78Å; A663-H666 PolarHBondContact O-ND1 3.29Å; A663-L787 HydrophobicContact CB-CD1 3.86Å
664	I	98.8	Very high	98.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-76.3	-17	-179.4	-163.3	60	0	0	0	113.1	V589 W612 I616 Y620 Y628 A631 T635 I660 V661 S662	V589-I664 HydrophobicContact CG1-CD1 4.44Å; V589-I664 HydrophobicContact CG1-CG1 4.33Å; V589-I664 HydrophobicContact CG2-CD1 4.03Å; W612-I664 HydrophobicContact CH2-CG2 4.41Å; I616-I664 HydrophobicContact CD1-CG2 4.2Å; I616-I664 HydrophobicContact CG2-CG1 4.08Å; Y620-I664 WeakPolarHBondContact CE2-O 3.47Å; Y620-I664 PolarHBondContact OH-O 3.33Å; Y620-I664 VanDerWaalsContact OH-O 3.12Å; Y628-I664 HydrophobicContact CE2-CD1 4.16Å; A631-I664 HydrophobicContact CB-CD1 4.35Å; T635-I664 HydrophobicContact CG2-CB 4.3Å; T635-I664 VanDerWaalsContact OG1-CA 3.24Å; T635-I664 WeakPolarHBondContact OG1-CA 3.48Å; T635-I664 WeakPolarHBondContact OG1-CB 3.43Å; T635-I664 WeakPolarHBondContact OG1-CD1 3.42Å; T635-I664 PolarHBondContact OG1-N 3.41Å; T635-I664 VanDerWaalsContact OG1-N 3.17Å; I660-I664 WeakPolarHBondContact O-CG2 3.33Å; I660-I664 PolarHBondContact O-N 3.49Å; I660-I664 VanDerWaalsContact O-N 3.09Å; V661-I664 WeakPolarHBondContact O-CG2 3.24Å; S662-I664 PolarHBondContact O-N 3.2Å
665	C	98.8	Very high	98.2	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.007	3%	0.033	C	C	.	.	H	α-helix	trans	-109.3	-9	-176.5	-68.5	0	0	0	0	114.7	V661 S662 A663 D667 L668 A703 I734	V661-C665 VanDerWaalsContact O-CB 3.23Å; V661-C665 WeakPolarHBondContact O-CB 3.48Å; V661-C665 PolarHBondContact O-N 2.93Å; V661-C665 PolarHBondContact O-SG 3.02Å; V661-C665 VanDerWaalsContact O-SG 3.36Å; S662-C665 PolarHBondContact O-N 2.62Å; A663-C665 VanDerWaalsContact C-N 3.28Å; A663-C665 PolarHBondContact O-N 2.78Å; C665-D667 PolarHBondContact O-N 2.7Å; C665-L668 HydrophobicContact CB-CD1 3.62Å; C665-L668 HydrophobicContact CB-CG 4.32Å; C665-L668 WeakPolarHBondContact O-CG 3.35Å; C665-L668 PolarHBondContact O-N 3.41Å; C665-A703 HydrophobicContact CB-CB 3.81Å; C665-I734 HydrophobicContact CB-CD1 4.09Å
666	H	98.8	Very high	98.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.6	-164.2	77.1	-73.5	0	0	0	115.5	H630 S662 A663 H699 I734 T737 D791	H630-H666 AromaticContact CD2-CE1 4Å; H630-H666 AromaticContact CD2-NE2 3.88Å; H630-H666 AromaticContact NE2-CE1 3.67Å; H630-H666 AromaticContact NE2-NE2 3.24Å; H630-H666 PolarHBondContact NE2-NE2 2.94Å; S662-H666 WeakPolarHBondContact O-CA 3.14Å; S662-H666 VanDerWaalsContact O-CB 3.31Å; S662-H666 WeakPolarHBondContact O-CB 3.5Å; S662-H666 PolarHBondContact O-N 3.47Å; A663-H666 PolarHBondContact O-ND1 3.29Å; H666-H699 WeakPolarHBondContact O-CB 3.46Å; H666-H699 PolarHBondContact O-CD2 2.98Å; H666-H699 VanDerWaalsContact O-CG 3.24Å; H666-I734 HydrophobicContact CB-CG1 4.18Å; H666-I734 HydrophobicContact CB-CG2 4.4Å; H666-T737 HydrophobicContact CB-CG2 4.19Å; H666-D791 IonicContact NE2-OD1 3.5Å
667	D	98.8	Very high	98.1	Very high	10 Å²	10	8 Å²	8	5%	0.053	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	19.7	-173.7	-96.2	-4.3	0	0	0	112.9	Y620 H626 H630 C665 D669 H670 H699	Y620-D667 HydrophobicContact CE1-CB 3.64Å; Y620-D667 VanDerWaalsContact CE1-O 3.28Å; Y620-D667 WeakPolarHBondContact CE1-O 3.24Å; Y620-D667 PolarHBondContact OH-N 3.34Å; H626-D667 IonicContact CD2-OD2 3.88Å; H626-D667 PolarHBondContact CD2-OD2 2.67Å; H626-D667 IonicContact CG-OD2 3.91Å; H630-D667 IonicContact CD2-OD2 2.7Å; H630-D667 PolarHBondContact CD2-OD2 3.45Å; H630-D667 IonicContact NE2-OD2 2.64Å; H630-D667 PolarHBondContact NE2-OD2 3.37Å; C665-D667 PolarHBondContact O-N 2.7Å; D667-D669 PolarHBondContact O-N 2.8Å; D667-H670 WeakPolarHBondContact O-CB 3.28Å; D667-H670 PolarHBondContact O-N 3.17Å; D667-H670 VanDerWaalsContact O-N 3.09Å; D667-H699 IonicContact OD1-CD2 2.72Å; D667-H699 IonicContact OD1-NE2 2.96Å
668	L	97.9	Very high	98	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129.3	-178.7	-81.3	167.6	0	0	0	111.8	I616 R619 Y620 C665 H670 H699 V702 A703 L706	I616-L668 HydrophobicContact CG2-CD2 4.12Å; R619-L668 HydrophobicContact CB-CD2 3.66Å; Y620-L668 HydrophobicContact CD2-CD2 3.8Å; Y620-L668 HydrophobicContact CE2-CD2 3.53Å; Y620-L668 HydrophobicContact CE2-CG 3.97Å; C665-L668 HydrophobicContact CB-CD1 3.62Å; C665-L668 HydrophobicContact CB-CG 4.32Å; C665-L668 WeakPolarHBondContact O-CG 3.35Å; C665-L668 PolarHBondContact O-N 3.41Å; L668-H670 PolarHBondContact O-N 3.48Å; L668-H699 PolarHBondContact O-ND1 2.86Å; L668-V702 HydrophobicContact CB-CB 4.12Å; L668-V702 HydrophobicContact CB-CG1 3.93Å; L668-V702 HydrophobicContact CD1-CG1 4.31Å; L668-A703 HydrophobicContact CD1-CB 3.73Å; L668-L706 HydrophobicContact CD1-CD1 4.13Å; L668-L706 HydrophobicContact CD2-CD1 4.31Å
669	D	96.4	Very high	98	Very high	29 Å²	29	10.8 Å²	10.8	16%	0.155	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	28.6	-178.6	-163.1	37	0	0	0	114.5	R619 N621 D667 H698 V702	R619-D669 VanDerWaalsContact O-CA 3.23Å; R619-D669 WeakPolarHBondContact O-CA 3.37Å; R619-D669 PolarHBondContact O-N 3.39Å; N621-D669 PolarHBondContact ND2-O 3.37Å; N621-D669 PolarHBondContact ND2-OD1 3.37Å; D667-D669 PolarHBondContact O-N 2.8Å; D669-H698 IonicContact OD2-CD2 3.36Å; D669-H698 IonicContact OD2-CE1 3.75Å; D669-H698 IonicContact OD2-NE2 3.49Å; D669-H698 PolarHBondContact OD2-NE2 2.66Å; D669-V702 HydrophobicContact CB-CG2 4.23Å
670	H	98.1	Very high	97.9	Very high	8 Å²	8	14.3 Å²	14.3	4%	0.037	8%	0.083	C	C	.	.			trans	-57.7	128	173.6	-168.9	-81.5	0	0	0	111.4	N621 H626 D667 L668 G672 H699 E812	N621-H670 PolarHBondContact ND2-O 3.42Å; H626-H670 HydrophobicContact CB-CB 3.87Å; H626-H670 WeakPolarHBondContact CB-ND1 3.34Å; H626-H670 AromaticContact CE1-CE1 3.91Å; H626-H670 AromaticContact CG-CE1 3.66Å; H626-H670 AromaticContact CG-CG 3.93Å; H626-H670 AromaticContact CG-ND1 3.66Å; H626-H670 AromaticContact CG-NE2 3.95Å; H626-H670 AromaticContact ND1-CE1 3.38Å; H626-H670 PolarHBondContact ND1-CE1 3.23Å; H626-H670 AromaticContact ND1-ND1 3.72Å; H626-H670 AromaticContact ND1-NE2 3.91Å; D667-H670 WeakPolarHBondContact O-CB 3.28Å; D667-H670 PolarHBondContact O-N 3.17Å; D667-H670 VanDerWaalsContact O-N 3.09Å; L668-H670 PolarHBondContact O-N 3.48Å; H670-G672 VanDerWaalsContact C-N 3.32Å; H670-G672 PolarHBondContact ND1-N 2.73Å; H670-G672 PolarHBondContact O-N 2.77Å; H670-H699 AromaticContact CD2-CE1 3.83Å; H670-H699 AromaticContact CD2-NE2 3.61Å; H670-E812 IonicContact CE1-OE1 3.39Å; H670-E812 IonicContact ND1-OE1 3.51Å
671	P	95.8	Very high	97.7	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	9%	0.093	C	C	.	.			trans	-84.5	-6.1	-171.5	34.6	-37.5	0	0	0	113.5	P533 N534 M537 I540 L695	P533-P671 HydrophobicContact CB-CB 3.84Å; P533-P671 HydrophobicContact CB-CG 4.02Å; N534-P671 HydrophobicContact CB-CB 3.97Å; N534-P671 WeakPolarHBondContact CB-O 3.44Å; N534-P671 PolarHBondContact ND2-O 2.92Å; M537-P671 HydrophobicContact CE-CB 3.8Å; I540-P671 VanDerWaalsContact CD1-O 3.29Å; I540-P671 WeakPolarHBondContact CD1-O 3.29Å; P671-L695 VanDerWaalsContact CD-CD2 3.49Å; P671-L695 HydrophobicContact CG-CD2 3.7Å
672	G	97.1	Very high	97.4	Very high	3 Å²	3	16.6 Å²	16.6	3%	0.031	11%	0.105	C	C	.	.	S	Bend	trans	86.7	10.2	-176.4	0	0	0	0	0	114.2	H670 E812	H670-G672 VanDerWaalsContact C-N 3.32Å; H670-G672 PolarHBondContact ND1-N 2.73Å; H670-G672 PolarHBondContact O-N 2.77Å; G672-E812 VanDerWaalsContact CA-OE1 3.32Å; G672-E812 WeakPolarHBondContact CA-OE1 3.41Å; G672-E812 WeakPolarHBondContact O-CG 3.34Å
673	F	97	Very high	97.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-135.6	123.3	-179	-76.4	-109.7	0	0	0	108.5	N534 Y677 Q678 L695 H815 Q816 Y819	N534-F673 HydrophobicContact CB-CD2 3.78Å; N534-F673 HydrophobicContact CB-CE2 4.05Å; N534-F673 WeakPolarHBondContact ND2-CD2 3.25Å; N534-F673 WeakPolarHBondContact ND2-CE2 3.44Å; F673-Y677 HydrophobicContact CB-CD1 3.5Å; F673-Y677 HydrophobicContact CB-CE1 4.03Å; F673-Y677 HydrophobicContact CB-CG 3.96Å; F673-Y677 AromaticContact CD1-CD1 3.54Å; F673-Y677 HydrophobicContact CD1-CD1 3.54Å; F673-Y677 AromaticContact CD1-CD2 3.59Å; F673-Y677 HydrophobicContact CD1-CD2 3.59Å; F673-Y677 AromaticContact CD1-CE1 3.61Å; F673-Y677 HydrophobicContact CD1-CE1 3.61Å; F673-Y677 AromaticContact CD1-CE2 3.66Å; F673-Y677 HydrophobicContact CD1-CE2 3.66Å; F673-Y677 AromaticContact CD1-CG 3.5Å; F673-Y677 HydrophobicContact CD1-CG 3.5Å; F673-Y677 VanDerWaalsContact CD1-CG 3.5Å; F673-Y677 AromaticContact CD1-CZ 3.65Å; F673-Y677 HydrophobicContact CE1-CD2 4.12Å; F673-Y677 HydrophobicContact CE1-CE1 4.31Å; F673-Y677 AromaticContact CE1-CE2 3.84Å; F673-Y677 HydrophobicContact CE1-CE2 3.84Å; F673-Y677 HydrophobicContact CE1-CG 4.44Å; F673-Y677 AromaticContact CE1-CZ 3.91Å; F673-Y677 AromaticContact CG-CD1 3.86Å; F673-Y677 HydrophobicContact CG-CD1 3.86Å; F673-Y677 AromaticContact CG-CE1 4Å; F673-Y677 HydrophobicContact CG-CE1 4Å; F673-Y677 HydrophobicContact CG-CG 4.18Å; F673-Q678 PolarHBondContact O-NE2 3.46Å; F673-L695 WeakPolarHBondContact O-CD1 3.29Å; F673-H815 AromaticContact CE2-CD2 3.6Å; F673-H815 AromaticContact CE2-NE2 3.79Å; F673-H815 AromaticContact CZ-CD2 3.71Å; F673-H815 AromaticContact CZ-NE2 3.85Å; F673-Q816 VanDerWaalsContact CA-OE1 3.3Å; F673-Q816 HydrophobicContact CD1-CB 3.87Å; F673-Q816 HydrophobicContact CD1-CG 3.68Å; F673-Q816 HydrophobicContact CE1-CB 4.02Å; F673-Q816 HydrophobicContact CE1-CG 4.1Å; F673-Q816 HydrophobicContact CG-CB 4.43Å; F673-Q816 HydrophobicContact CG-CG 4.45Å; F673-Y819 AromaticContact CE1-CD1 3.98Å; F673-Y819 HydrophobicContact CE1-CD1 3.98Å; F673-Y819 HydrophobicContact CE1-CG 4.11Å; F673-Y819 HydrophobicContact CZ-CG 4.28Å
674	N	98	Very high	96.8	Very high	39 Å²	39	19 Å²	19	21%	0.209	12%	0.119	C	C	.	.			trans	-72.7	172.9	-171	69.6	23.4	0	0	0	113.9	A676 Y677 Q678 Q816 M831	N674-A676 PolarHBondContact O-N 3.46Å; N674-A676 VanDerWaalsContact O-N 3.16Å; N674-A676 WeakPolarHBondContact OD1-CB 3.33Å; N674-A676 PolarHBondContact OD1-N 2.85Å; N674-A676 VanDerWaalsContact OD1-N 3.14Å; N674-Y677 WeakPolarHBondContact O-CB 3.37Å; N674-Y677 PolarHBondContact O-N 2.95Å; N674-Y677 PolarHBondContact OD1-N 3.37Å; N674-Q678 WeakPolarHBondContact O-CG 3.29Å; N674-Q678 PolarHBondContact O-N 2.86Å; N674-Q678 VanDerWaalsContact O-N 3.08Å; N674-Q816 VanDerWaalsContact CG-NE2 3.33Å; N674-Q816 PolarHBondContact ND2-NE2 2.84Å; N674-Q816 PolarHBondContact OD1-NE2 2.66Å; N674-M831 PolarHBondContact ND2-SD 3.36Å; N674-M831 VanDerWaalsContact ND2-SD 3.42Å
675	N	98.1	Very high	96.5	Very high	19 Å²	19	19.1 Å²	19.1	10%	0.102	12%	0.12	C	C	.	.	H	α-helix	trans	-52.4	-37.4	180	-77.5	-30.2	0	0	0	113.7	Y677 Q678 I679 P694 L695 E696	N675-Y677 VanDerWaalsContact C-N 3.34Å; N675-Y677 PolarHBondContact O-N 3.35Å; N675-Q678 PolarHBondContact O-N 3.33Å; N675-I679 WeakPolarHBondContact O-CD1 3.4Å; N675-I679 VanDerWaalsContact O-CG1 3.25Å; N675-I679 WeakPolarHBondContact O-CG1 3.48Å; N675-I679 PolarHBondContact O-N 2.71Å; N675-P694 VanDerWaalsContact OD1-CD 3.28Å; N675-P694 WeakPolarHBondContact OD1-CD 3.3Å; N675-L695 VanDerWaalsContact OD1-CB 3.26Å; N675-L695 WeakPolarHBondContact OD1-CB 3.1Å; N675-L695 WeakPolarHBondContact OD1-CG 3.34Å; N675-L695 PolarHBondContact OD1-N 3.15Å; N675-E696 PolarHBondContact ND2-OE1 3.12Å; N675-E696 PolarHBondContact ND2-OE2 2.95Å
676	A	97.2	Very high	96.3	Very high	48 Å²	48	19.1 Å²	19.1	40%	0.397	12%	0.12	S	C	.	.	H	α-helix	trans	-63.2	-41.2	179.7	0	0	0	0	0	111.7	N674 N680	N674-A676 PolarHBondContact O-N 3.46Å; N674-A676 VanDerWaalsContact O-N 3.16Å; N674-A676 WeakPolarHBondContact OD1-CB 3.33Å; N674-A676 PolarHBondContact OD1-N 2.85Å; N674-A676 VanDerWaalsContact OD1-N 3.14Å; A676-N680 VanDerWaalsContact O-CB 3.24Å; A676-N680 WeakPolarHBondContact O-CB 3.2Å; A676-N680 PolarHBondContact O-N 3.49Å; A676-N680 PolarHBondContact O-ND2 3.2Å; A676-N680 VanDerWaalsContact O-ND2 3.08Å
677	Y	97.9	Very high	95.9	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-49.1	171.2	172.1	-93.1	0	0	0	111.5	P533 P535 F673 N674 N675 I679 N680 A681 T683 Y819 E820 L825	P533-Y677 WeakPolarHBondContact O-CE1 3.36Å; P535-Y677 WeakPolarHBondContact CD-OH 3.34Å; F673-Y677 HydrophobicContact CB-CD1 3.5Å; F673-Y677 HydrophobicContact CB-CE1 4.03Å; F673-Y677 HydrophobicContact CB-CG 3.96Å; F673-Y677 AromaticContact CD1-CD1 3.54Å; F673-Y677 HydrophobicContact CD1-CD1 3.54Å; F673-Y677 AromaticContact CD1-CD2 3.59Å; F673-Y677 HydrophobicContact CD1-CD2 3.59Å; F673-Y677 AromaticContact CD1-CE1 3.61Å; F673-Y677 HydrophobicContact CD1-CE1 3.61Å; F673-Y677 AromaticContact CD1-CE2 3.66Å; F673-Y677 HydrophobicContact CD1-CE2 3.66Å; F673-Y677 AromaticContact CD1-CG 3.5Å; F673-Y677 HydrophobicContact CD1-CG 3.5Å; F673-Y677 VanDerWaalsContact CD1-CG 3.5Å; F673-Y677 AromaticContact CD1-CZ 3.65Å; F673-Y677 HydrophobicContact CE1-CD2 4.12Å; F673-Y677 HydrophobicContact CE1-CE1 4.31Å; F673-Y677 AromaticContact CE1-CE2 3.84Å; F673-Y677 HydrophobicContact CE1-CE2 3.84Å; F673-Y677 HydrophobicContact CE1-CG 4.44Å; F673-Y677 AromaticContact CE1-CZ 3.91Å; F673-Y677 AromaticContact CG-CD1 3.86Å; F673-Y677 HydrophobicContact CG-CD1 3.86Å; F673-Y677 AromaticContact CG-CE1 4Å; F673-Y677 HydrophobicContact CG-CE1 4Å; F673-Y677 HydrophobicContact CG-CG 4.18Å; N674-Y677 WeakPolarHBondContact O-CB 3.37Å; N674-Y677 PolarHBondContact O-N 2.95Å; N674-Y677 PolarHBondContact OD1-N 3.37Å; N675-Y677 VanDerWaalsContact C-N 3.34Å; N675-Y677 PolarHBondContact O-N 3.35Å; Y677-I679 PolarHBondContact O-N 2.63Å; Y677-N680 PolarHBondContact O-N 3.37Å; Y677-A681 HydrophobicContact CD1-CB 4.46Å; Y677-A681 HydrophobicContact CD2-CB 4.43Å; Y677-A681 HydrophobicContact CE1-CB 4.15Å; Y677-A681 HydrophobicContact CE2-CB 4.11Å; Y677-A681 VanDerWaalsContact O-CB 3.26Å; Y677-A681 WeakPolarHBondContact O-CB 3.36Å; Y677-A681 PolarHBondContact O-N 2.96Å; Y677-T683 HydrophobicContact CD1-CG2 4.48Å; Y677-T683 HydrophobicContact CE1-CG2 4.07Å; Y677-Y819 AromaticContact CE2-CD1 3.64Å; Y677-Y819 HydrophobicContact CE2-CD1 3.64Å; Y677-Y819 AromaticContact CE2-CE1 3.84Å; Y677-Y819 HydrophobicContact CE2-CE1 3.84Å; Y677-Y819 AromaticContact CZ-CE1 3.93Å; Y677-Y819 WeakPolarHBondContact OH-CE1 3.35Å; Y677-E820 HydrophobicContact CD2-CG 3.88Å; Y677-L825 HydrophobicContact CD2-CD1 4.13Å; Y677-L825 HydrophobicContact CE2-CD1 3.98Å
678	Q	97.3	Very high	95.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-52.8	-45.4	-176.6	-59.6	-51.4	-40.9	0	0	111.1	P533 F673 N674 N675 G682 T683 A686 L695	P533-Q678 VanDerWaalsContact CA-OE1 3.25Å; P533-Q678 PolarHBondContact O-NE2 2.82Å; P533-Q678 PolarHBondContact O-OE1 3.02Å; F673-Q678 PolarHBondContact O-NE2 3.46Å; N674-Q678 WeakPolarHBondContact O-CG 3.29Å; N674-Q678 PolarHBondContact O-N 2.86Å; N674-Q678 VanDerWaalsContact O-N 3.08Å; N675-Q678 PolarHBondContact O-N 3.33Å; Q678-G682 PolarHBondContact O-N 3.33Å; Q678-T683 PolarHBondContact O-N 2.8Å; Q678-T683 PolarHBondContact O-OG1 3.09Å; Q678-T683 PolarHBondContact OE1-OG1 2.95Å; Q678-A686 VanDerWaalsContact C-CB 3.5Å; Q678-A686 HydrophobicContact CB-CB 4.28Å; Q678-A686 WeakPolarHBondContact O-CB 3.3Å; Q678-L695 HydrophobicContact CG-CD1 4.4Å; Q678-L695 HydrophobicContact CG-CD2 4Å; Q678-L695 HydrophobicContact CG-CG 4.08Å
679	I	97.4	Very high	95.5	Very high	60 Å²	60	31.3 Å²	31.3	31%	0.308	17%	0.171	S	C	.	.	H	α-helix	trans	-70	-51.3	179.7	-64.6	165.5	0	0	0	111	N675 Y677 A681 G682 A686 D691 P694	N675-I679 WeakPolarHBondContact O-CD1 3.4Å; N675-I679 VanDerWaalsContact O-CG1 3.25Å; N675-I679 WeakPolarHBondContact O-CG1 3.48Å; N675-I679 PolarHBondContact O-N 2.71Å; Y677-I679 PolarHBondContact O-N 2.63Å; I679-A681 VanDerWaalsContact C-N 3.3Å; I679-A681 PolarHBondContact O-N 3.37Å; I679-G682 PolarHBondContact O-N 3.11Å; I679-A686 HydrophobicContact CG1-CB 4.33Å; I679-D691 HydrophobicContact CD1-CB 4.02Å; I679-D691 HydrophobicContact CG1-CB 3.9Å; I679-D691 HydrophobicContact CG2-CB 4.3Å; I679-P694 HydrophobicContact CG1-CG 4.26Å
680	N	96.7	Very high	95.5	Very high	75 Å²	75	35.8 Å²	35.8	40%	0.401	19%	0.194	S	C	.	.	H	α-helix	trans	-63.7	-35.6	-177.1	-73.4	-26.8	0	0	0	112.7	A676 Y677 G682 L825	A676-N680 VanDerWaalsContact O-CB 3.24Å; A676-N680 WeakPolarHBondContact O-CB 3.2Å; A676-N680 PolarHBondContact O-N 3.49Å; A676-N680 PolarHBondContact O-ND2 3.2Å; A676-N680 VanDerWaalsContact O-ND2 3.08Å; Y677-N680 PolarHBondContact O-N 3.37Å; N680-G682 VanDerWaalsContact C-N 3.32Å; N680-L825 HydrophobicContact CB-CD2 4.26Å; N680-L825 WeakPolarHBondContact O-CD2 3.33Å
681	A	94.2	Very high	95.5	Very high	25 Å²	25	38.5 Å²	38.5	21%	0.207	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-8.2	176.8	0	0	0	0	0	113.2	P531 Y677 I679 T683 L825	P531-A681 VanDerWaalsContact CG-O 3.23Å; P531-A681 WeakPolarHBondContact CG-O 3.49Å; Y677-A681 HydrophobicContact CD1-CB 4.46Å; Y677-A681 HydrophobicContact CD2-CB 4.43Å; Y677-A681 HydrophobicContact CE1-CB 4.15Å; Y677-A681 HydrophobicContact CE2-CB 4.11Å; Y677-A681 VanDerWaalsContact O-CB 3.26Å; Y677-A681 WeakPolarHBondContact O-CB 3.36Å; Y677-A681 PolarHBondContact O-N 2.96Å; I679-A681 VanDerWaalsContact C-N 3.3Å; I679-A681 PolarHBondContact O-N 3.37Å; A681-T683 VanDerWaalsContact C-N 3.28Å; A681-T683 HydrophobicContact CB-CG2 3.84Å; A681-T683 PolarHBondContact O-N 2.85Å; A681-L825 HydrophobicContact CB-CD1 3.7Å
682	G	93.9	Very high	95.6	Very high	27 Å²	27	44 Å²	44	28%	0.278	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	37.3	-178	0	0	0	0	0	112.9	A530 P531 Q678 I679 N680	A530-G682 WeakPolarHBondContact CB-O 3.4Å; P531-G682 WeakPolarHBondContact CD-O 3.4Å; Q678-G682 PolarHBondContact O-N 3.33Å; I679-G682 PolarHBondContact O-N 3.11Å; N680-G682 VanDerWaalsContact C-N 3.32Å
683	T	92.7	Very high	95.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.			trans	-62.9	164.3	-175.5	62.9	0	0	0	0	112.5	P531 Y677 Q678 A681 L685 A686 M687	P531-T683 HydrophobicContact CG-CG2 4.33Å; P531-T683 VanDerWaalsContact O-CA 3.31Å; P531-T683 WeakPolarHBondContact O-CA 3.42Å; Y677-T683 HydrophobicContact CD1-CG2 4.48Å; Y677-T683 HydrophobicContact CE1-CG2 4.07Å; Q678-T683 PolarHBondContact O-N 2.8Å; Q678-T683 PolarHBondContact O-OG1 3.09Å; Q678-T683 PolarHBondContact OE1-OG1 2.95Å; A681-T683 VanDerWaalsContact C-N 3.28Å; A681-T683 HydrophobicContact CB-CG2 3.84Å; A681-T683 PolarHBondContact O-N 2.85Å; T683-L685 PolarHBondContact O-N 3.31Å; T683-L685 VanDerWaalsContact O-N 3.16Å; T683-A686 PolarHBondContact O-N 2.93Å; T683-A686 VanDerWaalsContact O-N 3.15Å; T683-A686 PolarHBondContact OG1-N 3.34Å; T683-M687 WeakPolarHBondContact O-CG 3.24Å; T683-M687 PolarHBondContact O-N 3.36Å
684	V	91.1	Very high	95.6	Very high	49 Å²	49	44.9 Å²	44.9	30%	0.297	24%	0.24	S	C	.	.	H	α-helix	trans	-54.8	-33.1	175.5	68.6	0	0	0	0	113	A530 P531 P533 R688	A530-V684 HydrophobicContact CB-CB 4.33Å; P531-V684 PolarHBondContact O-N 3.01Å; P533-V684 HydrophobicContact CG-CG1 3.77Å; V684-R688 WeakPolarHBondContact O-CB 3.31Å; V684-R688 PolarHBondContact O-N 3.48Å
685	L	92.8	Very high	95.7	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-73.5	-44.3	177.4	-68.7	-178.3	0	0	0	112	P533 T683 M687 R688 Y689 P694 L695 H698	P533-L685 HydrophobicContact CB-CD1 3.77Å; P533-L685 HydrophobicContact CB-CG 4.19Å; P533-L685 HydrophobicContact CG-CB 4.47Å; P533-L685 HydrophobicContact CG-CD1 3.62Å; P533-L685 HydrophobicContact CG-CG 3.56Å; T683-L685 PolarHBondContact O-N 3.31Å; T683-L685 VanDerWaalsContact O-N 3.16Å; L685-M687 VanDerWaalsContact C-N 3.32Å; L685-M687 PolarHBondContact O-N 2.83Å; L685-R688 PolarHBondContact O-N 3.31Å; L685-Y689 HydrophobicContact CD2-CE2 4.09Å; L685-Y689 WeakPolarHBondContact O-CD2 3.28Å; L685-Y689 PolarHBondContact O-N 3.39Å; L685-P694 HydrophobicContact CB-CB 4.31Å; L685-L695 HydrophobicContact CD1-CD2 4.01Å; L685-H698 HydrophobicContact CD1-CB 4.28Å; L685-H698 HydrophobicContact CD2-CB 4.09Å; L685-H698 WeakPolarHBondContact CD2-ND1 3.4Å
686	A	95.1	Very high	95.7	Very high	1 Å²	1	43 Å²	43	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-43.9	176.4	0	0	0	0	0	111.7	Q678 I679 T683 Y689 N690 D691 P694	Q678-A686 VanDerWaalsContact C-CB 3.5Å; Q678-A686 HydrophobicContact CB-CB 4.28Å; Q678-A686 WeakPolarHBondContact O-CB 3.3Å; I679-A686 HydrophobicContact CG1-CB 4.33Å; T683-A686 PolarHBondContact O-N 2.93Å; T683-A686 VanDerWaalsContact O-N 3.15Å; T683-A686 PolarHBondContact OG1-N 3.34Å; A686-Y689 PolarHBondContact O-N 2.86Å; A686-N690 WeakPolarHBondContact O-CA 3.45Å; A686-N690 PolarHBondContact O-N 3.44Å; A686-D691 PolarHBondContact O-N 2.64Å; A686-P694 HydrophobicContact CB-CG 4.46Å
687	M	91.4	Very high	95.8	Very high	86 Å²	86	43 Å²	43	42%	0.424	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-43.3	174.7	-68.4	-59.7	-57	0	0	112.4	P526 A530 T683 L685 Y689	P526-M687 HydrophobicContact CB-CE 4.31Å; A530-M687 HydrophobicContact CB-CG 4.29Å; T683-M687 WeakPolarHBondContact O-CG 3.24Å; T683-M687 PolarHBondContact O-N 3.36Å; L685-M687 VanDerWaalsContact C-N 3.32Å; L685-M687 PolarHBondContact O-N 2.83Å; M687-Y689 PolarHBondContact O-N 3Å
688	R	92.4	Very high	95.8	Very high	136 Å²	136	43.8 Å²	43.8	51%	0.513	23%	0.227	S	C	.	.	H	α-helix	trans	-62.9	-41	179.8	179.5	178	-65.1	158.6	-0.6	112.5	V684 L685	V684-R688 WeakPolarHBondContact O-CB 3.31Å; V684-R688 PolarHBondContact O-N 3.48Å; L685-R688 PolarHBondContact O-N 3.31Å
689	Y	95.6	Very high	95.8	Very high	44 Å²	44	43.8 Å²	43.8	17%	0.173	23%	0.227	C	C	.	.	H	α-helix	trans	-103.2	11.1	-175.3	-61.9	-62.9	0	0	0	113.8	L685 A686 M687 D691 Q692 P694 N697 H698 A701	L685-Y689 HydrophobicContact CD2-CE2 4.09Å; L685-Y689 WeakPolarHBondContact O-CD2 3.28Å; L685-Y689 PolarHBondContact O-N 3.39Å; A686-Y689 PolarHBondContact O-N 2.86Å; M687-Y689 PolarHBondContact O-N 3Å; Y689-D691 VanDerWaalsContact C-N 3.26Å; Y689-D691 PolarHBondContact O-N 3.35Å; Y689-Q692 WeakPolarHBondContact O-CB 3.44Å; Y689-Q692 PolarHBondContact O-N 2.86Å; Y689-P694 HydrophobicContact CD2-CB 4.29Å; Y689-P694 WeakPolarHBondContact CD2-O 3.48Å; Y689-P694 WeakPolarHBondContact CE2-O 3.33Å; Y689-N697 HydrophobicContact CD1-CB 3.49Å; Y689-N697 VanDerWaalsContact CD1-CB 3.49Å; Y689-N697 HydrophobicContact CD2-CB 4.05Å; Y689-N697 HydrophobicContact CE1-CB 3.58Å; Y689-N697 HydrophobicContact CE2-CB 4.11Å; Y689-N697 HydrophobicContact CG-CB 3.74Å; Y689-H698 HydrophobicContact CE2-CB 3.82Å; Y689-A701 WeakPolarHBondContact OH-CB 3.41Å
690	N	96.2	Very high	95.9	Very high	122 Å²	122	41.4 Å²	41.4	65%	0.652	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	45.3	176	-52.5	-78.2	0	0	0	112.7	A686 Q692	A686-N690 WeakPolarHBondContact O-CA 3.45Å; A686-N690 PolarHBondContact O-N 3.44Å; N690-Q692 PolarHBondContact O-N 3.45Å; N690-Q692 PolarHBondContact O-NE2 2.84Å
691	D	97.4	Very high	95.9	Very high	65 Å²	65	40 Å²	40	35%	0.348	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	8	-178	-53.9	-25.9	0	0	0	115.5	I679 A686 Y689	I679-D691 HydrophobicContact CD1-CB 4.02Å; I679-D691 HydrophobicContact CG1-CB 3.9Å; I679-D691 HydrophobicContact CG2-CB 4.3Å; A686-D691 PolarHBondContact O-N 2.64Å; Y689-D691 VanDerWaalsContact C-N 3.26Å; Y689-D691 PolarHBondContact O-N 3.35Å
692	Q	97.7	Very high	96	Very high	116 Å²	116	39.6 Å²	39.6	54%	0.542	21%	0.209	S	C	.	.	S	Bend	trans	-92.1	103.1	179.1	-58.2	-50.5	-63.9	0	0	110.1	Y689 N690 P694 N697	Y689-Q692 WeakPolarHBondContact O-CB 3.44Å; Y689-Q692 PolarHBondContact O-N 2.86Å; N690-Q692 PolarHBondContact O-N 3.45Å; N690-Q692 PolarHBondContact O-NE2 2.84Å; Q692-P694 VanDerWaalsContact C-CD 3.49Å; Q692-P694 VanDerWaalsContact C-N 3.34Å; Q692-N697 PolarHBondContact O-ND2 3.29Å
693	S	97.6	Very high	96.1	Very high	21 Å²	21	38.5 Å²	38.5	15%	0.147	20%	0.197	C	C	.	.	S	Bend	trans	36.3	59.2	-177.7	-55.1	0	0	0	0	112.6	L695 E696 N697 D738	S693-L695 VanDerWaalsContact C-N 3.27Å; S693-L695 PolarHBondContact O-N 3.04Å; S693-E696 WeakPolarHBondContact CA-OE2 3.09Å; S693-E696 WeakPolarHBondContact CB-OE2 3.44Å; S693-E696 PolarHBondContact O-N 3.48Å; S693-N697 WeakPolarHBondContact O-CB 3.37Å; S693-N697 PolarHBondContact O-N 3.33Å; S693-N697 PolarHBondContact O-ND2 3.03Å; S693-D738 WeakPolarHBondContact CB-OD2 2.89Å; S693-D738 PolarHBondContact OG-OD2 2.61Å
694	P	98	Very high	96.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-56.4	-38.3	-169	-29.1	36.2	0	0	0	114.5	N675 I679 L685 A686 Y689 Q692 H698	N675-P694 VanDerWaalsContact OD1-CD 3.28Å; N675-P694 WeakPolarHBondContact OD1-CD 3.3Å; I679-P694 HydrophobicContact CG1-CG 4.26Å; L685-P694 HydrophobicContact CB-CB 4.31Å; A686-P694 HydrophobicContact CB-CG 4.46Å; Y689-P694 HydrophobicContact CD2-CB 4.29Å; Y689-P694 WeakPolarHBondContact CD2-O 3.48Å; Y689-P694 WeakPolarHBondContact CE2-O 3.33Å; Q692-P694 VanDerWaalsContact C-CD 3.49Å; Q692-P694 VanDerWaalsContact C-N 3.34Å; P694-H698 WeakPolarHBondContact O-CB 3.28Å; P694-H698 PolarHBondContact O-N 3.28Å; P694-H698 VanDerWaalsContact O-N 3.14Å
695	L	98.5	Very high	96.4	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-72.2	-49.3	-179.9	-68.6	175.6	0	0	0	111.7	P671 F673 N675 Q678 L685 S693 N697 H698 H699	P671-L695 VanDerWaalsContact CD-CD2 3.49Å; P671-L695 HydrophobicContact CG-CD2 3.7Å; F673-L695 WeakPolarHBondContact O-CD1 3.29Å; N675-L695 VanDerWaalsContact OD1-CB 3.26Å; N675-L695 WeakPolarHBondContact OD1-CB 3.1Å; N675-L695 WeakPolarHBondContact OD1-CG 3.34Å; N675-L695 PolarHBondContact OD1-N 3.15Å; Q678-L695 HydrophobicContact CG-CD1 4.4Å; Q678-L695 HydrophobicContact CG-CD2 4Å; Q678-L695 HydrophobicContact CG-CG 4.08Å; L685-L695 HydrophobicContact CD1-CD2 4.01Å; S693-L695 VanDerWaalsContact C-N 3.27Å; S693-L695 PolarHBondContact O-N 3.04Å; L695-N697 VanDerWaalsContact C-N 3.29Å; L695-N697 PolarHBondContact O-N 2.82Å; L695-H698 CarbonylContact O-C 3.52Å; L695-H698 WeakPolarHBondContact O-CA 3.49Å; L695-H698 VanDerWaalsContact O-CB 3.26Å; L695-H698 WeakPolarHBondContact O-CB 3.26Å; L695-H698 PolarHBondContact O-N 2.82Å; L695-H699 VanDerWaalsContact C-CD2 3.47Å; L695-H699 PolarHBondContact O-CD2 3.5Å; L695-H699 PolarHBondContact O-CE1 3.45Å; L695-H699 PolarHBondContact O-N 3.24Å; L695-H699 PolarHBondContact O-ND1 3.4Å; L695-H699 PolarHBondContact O-NE2 3.42Å
696	E	98.7	Very high	96.4	Very high	17 Å²	17	40.9 Å²	40.9	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-66.1	-34.1	-176.8	-61.4	73.9	-162	0	0	111.7	N675 S693 T700 L735 D738	N675-E696 PolarHBondContact ND2-OE1 3.12Å; N675-E696 PolarHBondContact ND2-OE2 2.95Å; S693-E696 WeakPolarHBondContact CA-OE2 3.09Å; S693-E696 WeakPolarHBondContact CB-OE2 3.44Å; S693-E696 PolarHBondContact O-N 3.48Å; E696-T700 WeakPolarHBondContact O-CB 3.28Å; E696-T700 PolarHBondContact O-N 3.34Å; E696-T700 VanDerWaalsContact O-N 3.08Å; E696-T700 PolarHBondContact O-OG1 3.45Å; E696-L735 HydrophobicContact CB-CD2 3.96Å; E696-D738 HydrophobicContact CG-CB 3.91Å
697	N	98.5	Very high	96.3	Very high	48 Å²	48	41.5 Å²	41.5	26%	0.257	21%	0.21	S	C	.	.	H	α-helix	trans	-64.3	-42	168.8	-83.1	-71.8	0	0	0	111.9	Y689 Q692 S693 L695 T700 A701 L735	Y689-N697 HydrophobicContact CD1-CB 3.49Å; Y689-N697 VanDerWaalsContact CD1-CB 3.49Å; Y689-N697 HydrophobicContact CD2-CB 4.05Å; Y689-N697 HydrophobicContact CE1-CB 3.58Å; Y689-N697 HydrophobicContact CE2-CB 4.11Å; Y689-N697 HydrophobicContact CG-CB 3.74Å; Q692-N697 PolarHBondContact O-ND2 3.29Å; S693-N697 WeakPolarHBondContact O-CB 3.37Å; S693-N697 PolarHBondContact O-N 3.33Å; S693-N697 PolarHBondContact O-ND2 3.03Å; L695-N697 VanDerWaalsContact C-N 3.29Å; L695-N697 PolarHBondContact O-N 2.82Å; N697-T700 PolarHBondContact O-N 3.3Å; N697-A701 WeakPolarHBondContact O-CB 3.5Å; N697-A701 PolarHBondContact O-N 3.24Å; N697-L735 HydrophobicContact CB-CD2 4.36Å
698	H	97.9	Very high	96.1	Very high	20 Å²	20	40.8 Å²	40.8	9%	0.093	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-48.5	175.8	-172.8	60.6	0	0	0	112.4	D669 L685 Y689 P694 L695 T700 A701 V702	D669-H698 IonicContact OD2-CD2 3.36Å; D669-H698 IonicContact OD2-CE1 3.75Å; D669-H698 IonicContact OD2-NE2 3.49Å; D669-H698 PolarHBondContact OD2-NE2 2.66Å; L685-H698 HydrophobicContact CD1-CB 4.28Å; L685-H698 HydrophobicContact CD2-CB 4.09Å; L685-H698 WeakPolarHBondContact CD2-ND1 3.4Å; Y689-H698 HydrophobicContact CE2-CB 3.82Å; P694-H698 WeakPolarHBondContact O-CB 3.28Å; P694-H698 PolarHBondContact O-N 3.28Å; P694-H698 VanDerWaalsContact O-N 3.14Å; L695-H698 CarbonylContact O-C 3.52Å; L695-H698 WeakPolarHBondContact O-CA 3.49Å; L695-H698 VanDerWaalsContact O-CB 3.26Å; L695-H698 WeakPolarHBondContact O-CB 3.26Å; L695-H698 PolarHBondContact O-N 2.82Å; H698-T700 VanDerWaalsContact C-N 3.27Å; H698-T700 PolarHBondContact O-N 3.4Å; H698-A701 WeakPolarHBondContact O-CB 3.38Å; H698-A701 PolarHBondContact O-N 2.92Å; H698-A701 VanDerWaalsContact O-N 3.1Å; H698-V702 WeakPolarHBondContact O-CG2 3.41Å; H698-V702 PolarHBondContact O-N 3.07Å
699	H	98.5	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.5	-45.3	177.7	-53.6	-28.8	0	0	0	110.8	H666 D667 L668 H670 L695 V702 A703 I734	H666-H699 WeakPolarHBondContact O-CB 3.46Å; H666-H699 PolarHBondContact O-CD2 2.98Å; H666-H699 VanDerWaalsContact O-CG 3.24Å; D667-H699 IonicContact OD1-CD2 2.72Å; D667-H699 IonicContact OD1-NE2 2.96Å; L668-H699 PolarHBondContact O-ND1 2.86Å; H670-H699 AromaticContact CD2-CE1 3.83Å; H670-H699 AromaticContact CD2-NE2 3.61Å; L695-H699 VanDerWaalsContact C-CD2 3.47Å; L695-H699 PolarHBondContact O-CD2 3.5Å; L695-H699 PolarHBondContact O-CE1 3.45Å; L695-H699 PolarHBondContact O-N 3.24Å; L695-H699 PolarHBondContact O-ND1 3.4Å; L695-H699 PolarHBondContact O-NE2 3.42Å; H699-V702 PolarHBondContact O-N 3.16Å; H699-A703 WeakPolarHBondContact O-CB 3.49Å; H699-A703 PolarHBondContact O-N 3.14Å; H699-I734 HydrophobicContact CB-CG2 4.19Å
700	T	98.2	Very high	95.3	Very high	10 Å²	10	41.2 Å²	41.2	6%	0.061	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-44.9	175.8	-58.1	0	0	0	0	112	E696 N697 H698 A703 F704 I731 I734	E696-T700 WeakPolarHBondContact O-CB 3.28Å; E696-T700 PolarHBondContact O-N 3.34Å; E696-T700 VanDerWaalsContact O-N 3.08Å; E696-T700 PolarHBondContact O-OG1 3.45Å; N697-T700 PolarHBondContact O-N 3.3Å; H698-T700 VanDerWaalsContact C-N 3.27Å; H698-T700 PolarHBondContact O-N 3.4Å; T700-A703 WeakPolarHBondContact O-CB 3.46Å; T700-A703 PolarHBondContact O-N 2.9Å; T700-F704 HydrophobicContact CG2-CD2 3.99Å; T700-F704 HydrophobicContact CG2-CE2 3.81Å; T700-F704 WeakPolarHBondContact O-CD2 3.43Å; T700-F704 PolarHBondContact O-N 3.02Å; T700-I731 HydrophobicContact CG2-CB 4.2Å; T700-I731 HydrophobicContact CG2-CG1 3.59Å; T700-I731 HydrophobicContact CG2-CG2 4.38Å; T700-I734 WeakPolarHBondContact OG1-CB 3.47Å; T700-I734 WeakPolarHBondContact OG1-CG2 3.3Å
701	A	97.7	Very high	94.8	Very high	46 Å²	46	41.4 Å²	41.4	38%	0.38	22%	0.218	S	C	.	.	H	α-helix	trans	-60.9	-47	178.2	0	0	0	0	0	111.4	Y689 N697 H698 A703 F704 D705	Y689-A701 WeakPolarHBondContact OH-CB 3.41Å; N697-A701 WeakPolarHBondContact O-CB 3.5Å; N697-A701 PolarHBondContact O-N 3.24Å; H698-A701 WeakPolarHBondContact O-CB 3.38Å; H698-A701 PolarHBondContact O-N 2.92Å; H698-A701 VanDerWaalsContact O-N 3.1Å; A701-A703 VanDerWaalsContact C-N 3.33Å; A701-A703 PolarHBondContact O-N 3.45Å; A701-F704 PolarHBondContact O-N 2.71Å; A701-D705 WeakPolarHBondContact O-CB 3.41Å; A701-D705 PolarHBondContact O-N 3.16Å
702	V	95.8	Very high	94.4	Very high	16 Å²	16	39.4 Å²	39.4	10%	0.097	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-40.5	176.1	177.6	0	0	0	0	111.2	R619 L668 D669 H698 H699 F704 D705 L706	R619-V702 HydrophobicContact CB-CG1 4.28Å; R619-V702 HydrophobicContact CG-CG1 4.14Å; L668-V702 HydrophobicContact CB-CB 4.12Å; L668-V702 HydrophobicContact CB-CG1 3.93Å; L668-V702 HydrophobicContact CD1-CG1 4.31Å; D669-V702 HydrophobicContact CB-CG2 4.23Å; H698-V702 WeakPolarHBondContact O-CG2 3.41Å; H698-V702 PolarHBondContact O-N 3.07Å; H699-V702 PolarHBondContact O-N 3.16Å; V702-F704 VanDerWaalsContact C-N 3.27Å; V702-F704 PolarHBondContact O-N 3.2Å; V702-D705 PolarHBondContact O-N 2.89Å; V702-L706 WeakPolarHBondContact O-CG 3.36Å; V702-L706 PolarHBondContact O-N 3.22Å
703	A	96.7	Very high	94.3	Very high	4 Å²	4	34 Å²	34	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-56.9	-40.5	177.6	0	0	0	0	0	112.5	C665 L668 H699 T700 A701	C665-A703 HydrophobicContact CB-CB 3.81Å; L668-A703 HydrophobicContact CD1-CB 3.73Å; H699-A703 WeakPolarHBondContact O-CB 3.49Å; H699-A703 PolarHBondContact O-N 3.14Å; T700-A703 WeakPolarHBondContact O-CB 3.46Å; T700-A703 PolarHBondContact O-N 2.9Å; A701-A703 VanDerWaalsContact C-N 3.33Å; A701-A703 PolarHBondContact O-N 3.45Å
704	F	96.3	Very high	94.2	Very high	29 Å²	29	33 Å²	33	13%	0.127	18%	0.176	C	C	.	.	H	α-helix	trans	-88.3	-23.2	179.8	-69.9	-69.6	0	0	0	114.2	T700 A701 V702 L706 L707 S708 R727 V730 I731	T700-F704 HydrophobicContact CG2-CD2 3.99Å; T700-F704 HydrophobicContact CG2-CE2 3.81Å; T700-F704 WeakPolarHBondContact O-CD2 3.43Å; T700-F704 PolarHBondContact O-N 3.02Å; A701-F704 PolarHBondContact O-N 2.71Å; V702-F704 VanDerWaalsContact C-N 3.27Å; V702-F704 PolarHBondContact O-N 3.2Å; F704-L706 VanDerWaalsContact C-N 3.3Å; F704-L707 HydrophobicContact CD1-CD1 3.94Å; F704-L707 HydrophobicContact CE1-CD1 4.19Å; F704-L707 CarbonylContact O-C 3.41Å; F704-L707 PolarHBondContact O-N 2.93Å; F704-L707 VanDerWaalsContact O-N 3.16Å; F704-S708 PolarHBondContact O-N 2.91Å; F704-S708 VanDerWaalsContact O-N 3.12Å; F704-R727 HydrophobicContact CD1-CG 4.3Å; F704-R727 HydrophobicContact CE1-CB 3.79Å; F704-R727 HydrophobicContact CE1-CG 3.67Å; F704-R727 HydrophobicContact CE2-CG 4.1Å; F704-R727 HydrophobicContact CZ-CB 3.92Å; F704-R727 HydrophobicContact CZ-CG 3.58Å; F704-V730 HydrophobicContact CE2-CG1 4.22Å; F704-V730 HydrophobicContact CZ-CB 4Å; F704-V730 HydrophobicContact CZ-CG1 3.92Å; F704-I731 HydrophobicContact CD2-CG1 4.49Å; F704-I731 HydrophobicContact CE2-CD1 4.24Å; F704-I731 HydrophobicContact CE2-CG1 3.62Å; F704-I731 HydrophobicContact CZ-CG1 4.24Å
705	D	94.3	Very high	94.1	Very high	66 Å²	66	33.2 Å²	33.2	35%	0.353	18%	0.176	S	C	.	.	H	α-helix	trans	-58.5	-45.6	166.1	179.3	57.7	0	0	0	110.3	A701 V702 L707 S708	A701-D705 WeakPolarHBondContact O-CB 3.41Å; A701-D705 PolarHBondContact O-N 3.16Å; V702-D705 PolarHBondContact O-N 2.89Å; D705-L707 PolarHBondContact O-N 3.06Å; D705-L707 VanDerWaalsContact O-N 3.13Å; D705-S708 VanDerWaalsContact O-CB 3.3Å; D705-S708 WeakPolarHBondContact O-CB 3.41Å; D705-S708 PolarHBondContact O-N 2.97Å; D705-S708 PolarHBondContact O-OG 3.47Å
706	L	91.9	Very high	94	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.9	174.2	-69.5	178	0	0	0	113.9	D615 I616 R619 L668 V702 F704	D615-L706 HydrophobicContact CB-CD2 3.92Å; I616-L706 HydrophobicContact CG1-CD1 3.78Å; R619-L706 HydrophobicContact CG-CD1 4.08Å; R619-L706 HydrophobicContact CG-CD2 3.92Å; R619-L706 HydrophobicContact CG-CG 4.36Å; L668-L706 HydrophobicContact CD1-CD1 4.13Å; L668-L706 HydrophobicContact CD2-CD1 4.31Å; V702-L706 WeakPolarHBondContact O-CG 3.36Å; V702-L706 PolarHBondContact O-N 3.22Å; F704-L706 VanDerWaalsContact C-N 3.3Å
707	L	92.6	Very high	93.8	Very high	15 Å²	15	38 Å²	38	8%	0.079	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.5	177.6	-64.9	174.7	0	0	0	113	W612 F704 D705 H709 D713 F715	W612-L707 HydrophobicContact CZ2-CD2 4.27Å; W612-L707 VanDerWaalsContact NE1-CD2 3.29Å; F704-L707 HydrophobicContact CD1-CD1 3.94Å; F704-L707 HydrophobicContact CE1-CD1 4.19Å; F704-L707 CarbonylContact O-C 3.41Å; F704-L707 PolarHBondContact O-N 2.93Å; F704-L707 VanDerWaalsContact O-N 3.16Å; D705-L707 PolarHBondContact O-N 3.06Å; D705-L707 VanDerWaalsContact O-N 3.13Å; L707-H709 VanDerWaalsContact C-N 3.33Å; L707-D713 HydrophobicContact CD2-CB 4.45Å; L707-D713 WeakPolarHBondContact CD2-OD1 3.41Å; L707-D713 VanDerWaalsContact O-OD2 3.13Å; L707-F715 HydrophobicContact CD1-CD2 4.43Å; L707-F715 HydrophobicContact CD2-CD2 3.89Å; L707-F715 HydrophobicContact CD2-CE2 4.24Å
708	S	87.9	Confident	93.6	Very high	71 Å²	71	36.7 Å²	36.7	50%	0.497	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-20.8	179.8	75	0	0	0	0	112.5	F704 D705	F704-S708 PolarHBondContact O-N 2.91Å; F704-S708 VanDerWaalsContact O-N 3.12Å; D705-S708 VanDerWaalsContact O-CB 3.3Å; D705-S708 WeakPolarHBondContact O-CB 3.41Å; D705-S708 PolarHBondContact O-N 2.97Å; D705-S708 PolarHBondContact O-OG 3.47Å
709	H	84.1	Confident	93.5	Very high	38 Å²	38	38.7 Å²	38.7	18%	0.176	21%	0.211	C	C	.	.			trans	-93.6	104.6	179.9	-55.1	-32.2	0	0	0	110.8	Y324 L707 E711 V712 D713	Y324-H709 AromaticContact CD2-CE1 3.44Å; Y324-H709 VanDerWaalsContact CD2-CE1 3.44Å; Y324-H709 WeakPolarHBondContact CD2-CE1 3.44Å; Y324-H709 AromaticContact CD2-ND1 3.35Å; Y324-H709 VanDerWaalsContact CD2-ND1 3.35Å; Y324-H709 WeakPolarHBondContact CD2-ND1 3.37Å; Y324-H709 AromaticContact CE2-CD2 3.8Å; Y324-H709 AromaticContact CE2-CE1 2.76Å; Y324-H709 WeakPolarHBondContact CE2-CE1 3.3Å; Y324-H709 AromaticContact CE2-CG 3.76Å; Y324-H709 AromaticContact CE2-ND1 3.09Å; Y324-H709 WeakPolarHBondContact CE2-ND1 3.38Å; Y324-H709 AromaticContact CE2-NE2 3.17Å; Y324-H709 WeakPolarHBondContact CE2-NE2 3.43Å; Y324-H709 AromaticContact CZ-CD2 3.46Å; Y324-H709 VanDerWaalsContact CZ-CD2 3.46Å; Y324-H709 AromaticContact CZ-CE1 3.3Å; Y324-H709 AromaticContact CZ-CG 3.64Å; Y324-H709 AromaticContact CZ-ND1 3.49Å; Y324-H709 AromaticContact CZ-NE2 3.2Å; Y324-H709 PolarHBondContact OH-CD2 3.22Å; Y324-H709 PolarHBondContact OH-CE1 3.36Å; Y324-H709 PolarHBondContact OH-NE2 2.99Å; L707-H709 VanDerWaalsContact C-N 3.33Å; H709-E711 PolarHBondContact O-N 2.94Å; H709-V712 HydrophobicContact CB-CG2 3.69Å; H709-V712 WeakPolarHBondContact O-CG2 3.14Å; H709-V712 PolarHBondContact O-N 3.43Å; H709-D713 WeakPolarHBondContact O-CB 3.26Å; H709-D713 PolarHBondContact O-N 3.24Å
710	K	86.3	Confident	93.4	Very high	150 Å²	150	43.3 Å²	43.3	65%	0.652	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-34.1	-176.4	-170	176.2	-177.9	178.9	0	114.2	Q608 V712	Q608-K710 PolarHBondContact NE2-O 3.25Å; Q608-K710 VanDerWaalsContact NE2-O 3.13Å; K710-V712 VanDerWaalsContact C-N 3.3Å; K710-V712 PolarHBondContact O-N 2.96Å
711	E	87.2	Confident	93.3	Very high	127 Å²	127	48 Å²	48	59%	0.593	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.7	-178.8	-63.2	-150.9	-154.9	0	0	113.9	H709	H709-E711 PolarHBondContact O-N 2.94Å
712	V	87.6	Confident	93.2	Very high	22 Å²	22	47.5 Å²	47.5	13%	0.133	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-13.8	176	-58.6	0	0	0	0	112.9	L611 W612 H709 K710 P714	L611-V712 HydrophobicContact CB-CB 4.26Å; L611-V712 HydrophobicContact CB-CG1 3.96Å; L611-V712 HydrophobicContact CD1-CG1 4.05Å; W612-V712 WeakPolarHBondContact CB-O 3.31Å; H709-V712 HydrophobicContact CB-CG2 3.69Å; H709-V712 WeakPolarHBondContact O-CG2 3.14Å; H709-V712 PolarHBondContact O-N 3.43Å; K710-V712 VanDerWaalsContact C-N 3.3Å; K710-V712 PolarHBondContact O-N 2.96Å; V712-P714 WeakPolarHBondContact O-CD 3.41Å
713	D	95.3	Very high	93.2	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	27%	0.27	C	S	.	.			trans	-73.7	108	179.5	177	5.6	0	0	0	111.9	Q608 L707 H709 F715 S716 R723	Q608-D713 PolarHBondContact NE2-O 2.87Å; L707-D713 HydrophobicContact CD2-CB 4.45Å; L707-D713 WeakPolarHBondContact CD2-OD1 3.41Å; L707-D713 VanDerWaalsContact O-OD2 3.13Å; H709-D713 WeakPolarHBondContact O-CB 3.26Å; H709-D713 PolarHBondContact O-N 3.24Å; D713-F715 PolarHBondContact O-N 3.2Å; D713-F715 VanDerWaalsContact O-N 3.16Å; D713-F715 WeakPolarHBondContact OD1-CA 3.49Å; D713-F715 WeakPolarHBondContact OD1-CB 3.31Å; D713-F715 PolarHBondContact OD1-N 3.41Å; D713-S716 WeakPolarHBondContact O-CB 3.43Å; D713-S716 PolarHBondContact O-N 3.2Å; D713-S716 PolarHBondContact O-OG 3.32Å; D713-S716 PolarHBondContact OD1-N 3.48Å; D713-S716 WeakPolarHBondContact OD2-CA 3.11Å; D713-S716 PolarHBondContact OD2-N 2.83Å; D713-R723 IonicContact OD1-NH1 3.85Å; D713-R723 PolarHBondContact OD1-NH1 2.77Å; D713-R723 IonicContact OD2-CZ 3.6Å; D713-R723 IonicContact OD2-NH1 3.76Å; D713-R723 PolarHBondContact OD2-NH1 3.41Å; D713-R723 IonicContact OD2-NH2 3.44Å; D713-R723 PolarHBondContact OD2-NH2 2.87Å
714	P	96.8	Very high	93.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-9.2	179.9	30.8	-34.7	0	0	0	113.3	I604 Q608 L609 W612 V712 H717	I604-P714 HydrophobicContact CG2-CB 3.63Å; Q608-P714 HydrophobicContact CB-CB 4.32Å; L609-P714 HydrophobicContact CB-CB 4.47Å; W612-P714 HydrophobicContact CB-CG 4.25Å; W612-P714 HydrophobicContact CD2-CG 4Å; W612-P714 HydrophobicContact CE3-CG 4.01Å; W612-P714 HydrophobicContact CG-CG 4.14Å; V712-P714 WeakPolarHBondContact O-CD 3.41Å; P714-H717 PolarHBondContact O-CE1 3.13Å; P714-H717 VanDerWaalsContact O-CE1 3.27Å
715	F	96.4	Very high	93.3	Very high	5 Å²	5	58.8 Å²	58.8	2%	0.022	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	7.3	-177.9	-49.8	-59.6	0	0	0	112.5	F593 I604 W612 L657 V661 L707 D713 H717 L718 R723	F593-F715 HydrophobicContact CE1-CZ 4.19Å; I604-F715 HydrophobicContact CD1-CD1 4.36Å; I604-F715 HydrophobicContact CD1-CE1 3.83Å; W612-F715 HydrophobicContact CH2-CE2 4.27Å; W612-F715 HydrophobicContact CZ2-CE2 4.34Å; L657-F715 HydrophobicContact CD1-CE1 4.07Å; L657-F715 HydrophobicContact CD1-CZ 4.04Å; L657-F715 HydrophobicContact CD2-CD1 4.45Å; L657-F715 HydrophobicContact CD2-CE1 3.85Å; L657-F715 HydrophobicContact CD2-CZ 4.28Å; V661-F715 HydrophobicContact CG2-CE2 4.38Å; V661-F715 HydrophobicContact CG2-CZ 4.1Å; L707-F715 HydrophobicContact CD1-CD2 4.43Å; L707-F715 HydrophobicContact CD2-CD2 3.89Å; L707-F715 HydrophobicContact CD2-CE2 4.24Å; D713-F715 PolarHBondContact O-N 3.2Å; D713-F715 VanDerWaalsContact O-N 3.16Å; D713-F715 WeakPolarHBondContact OD1-CA 3.49Å; D713-F715 WeakPolarHBondContact OD1-CB 3.31Å; D713-F715 PolarHBondContact OD1-N 3.41Å; F715-H717 PolarHBondContact O-N 2.95Å; F715-H717 VanDerWaalsContact O-N 3.15Å; F715-L718 HydrophobicContact CB-CD1 3.88Å; F715-L718 HydrophobicContact CB-CG 4.17Å; F715-L718 HydrophobicContact CD1-CD1 3.96Å; F715-L718 HydrophobicContact CG-CD1 4.3Å; F715-L718 WeakPolarHBondContact O-CB 3.23Å; F715-L718 WeakPolarHBondContact O-CG 3.45Å; F715-L718 PolarHBondContact O-N 2.9Å; F715-R723 PolarHBondContact O-NH1 2.92Å
716	S	94.8	Very high	93.4	Very high	33 Å²	33	56.1 Å²	56.1	23%	0.231	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.1	-171.1	50.6	0	0	0	0	114.7	D713	D713-S716 WeakPolarHBondContact O-CB 3.43Å; D713-S716 PolarHBondContact O-N 3.2Å; D713-S716 PolarHBondContact O-OG 3.32Å; D713-S716 PolarHBondContact OD1-N 3.48Å; D713-S716 WeakPolarHBondContact OD2-CA 3.11Å; D713-S716 PolarHBondContact OD2-N 2.83Å
717	H	94.4	Very high	93.7	Very high	86 Å²	86	61.4 Å²	61.4	40%	0.398	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.2	177.2	60.8	-73.6	0	0	0	114.1	Y602 N603 P714 F715	Y602-H717 PolarHBondContact O-NE2 3.17Å; N603-H717 PolarHBondContact O-NE2 3.39Å; P714-H717 PolarHBondContact O-CE1 3.13Å; P714-H717 VanDerWaalsContact O-CE1 3.27Å; F715-H717 PolarHBondContact O-N 2.95Å; F715-H717 VanDerWaalsContact O-N 3.15Å
718	L	95.5	Very high	94	Very high	22 Å²	22	67.5 Å²	67.5	12%	0.115	34%	0.335	C	S	.	.	S	Bend	trans	-67.6	150	177.4	-61.6	-170.4	0	0	0	111.2	Y602 F715 T722 R723 I726	Y602-L718 HydrophobicContact CD1-CD1 3.86Å; Y602-L718 HydrophobicContact CD1-CD2 3.66Å; Y602-L718 HydrophobicContact CD1-CG 4.44Å; Y602-L718 HydrophobicContact CE1-CD1 4.23Å; Y602-L718 HydrophobicContact CG-CD1 4.44Å; Y602-L718 HydrophobicContact CG-CD2 4.25Å; F715-L718 HydrophobicContact CB-CD1 3.88Å; F715-L718 HydrophobicContact CB-CG 4.17Å; F715-L718 HydrophobicContact CD1-CD1 3.96Å; F715-L718 HydrophobicContact CG-CD1 4.3Å; F715-L718 WeakPolarHBondContact O-CB 3.23Å; F715-L718 WeakPolarHBondContact O-CG 3.45Å; F715-L718 PolarHBondContact O-N 2.9Å; L718-T722 HydrophobicContact CD1-CG2 4.16Å; L718-R723 HydrophobicContact CB-CG 3.84Å; L718-I726 HydrophobicContact CD1-CD1 3.99Å
719	S	96.1	Very high	94.5	Very high	61 Å²	61	64.2 Å²	64.2	43%	0.427	31%	0.313	S	S	.	.			trans	-57.9	149.1	176.9	83.3	0	0	0	0	111.6	T721 T722 R723	S719-T721 PolarHBondContact O-N 3.19Å; S719-T722 PolarHBondContact O-N 3.23Å; S719-T722 VanDerWaalsContact O-N 3.13Å; S719-T722 PolarHBondContact OG-N 3.24Å; S719-T722 VanDerWaalsContact OG-N 3.13Å; S719-T722 PolarHBondContact OG-OG1 3.25Å; S719-R723 PolarHBondContact O-N 3.46Å
720	T	95.4	Very high	95.2	Very high	98 Å²	98	62.5 Å²	62.5	60%	0.601	31%	0.305	S	S	*	.	H	α-helix	trans	-53.7	-40.1	176.1	-55.2	0	0	0	0	111.7	R723 Q724	T720-R723 PolarHBondContact O-N 3.09Å; T720-Q724 HydrophobicContact CG2-CG 4.34Å; T720-Q724 WeakPolarHBondContact O-CB 3.49Å; T720-Q724 WeakPolarHBondContact O-CG 3.33Å; T720-Q724 PolarHBondContact O-N 3.07Å
721	T	96.6	Very high	95.8	Very high	109 Å²	109	57.7 Å²	57.7	67%	0.669	29%	0.285	S	S	*	.	H	α-helix	trans	-62.2	-47.8	178.3	-52.3	0	0	0	0	111.9	S719 Q724 R725	S719-T721 PolarHBondContact O-N 3.19Å; T721-Q724 PolarHBondContact O-N 2.76Å; T721-R725 PolarHBondContact O-N 3.41Å
722	T	95.8	Very high	96.3	Very high	35 Å²	35	54.9 Å²	54.9	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-46.7	177.6	-53.3	0	0	0	0	110.8	Y602 L718 S719 Q724 R725 I726	Y602-T722 HydrophobicContact CE1-CG2 4.34Å; L718-T722 HydrophobicContact CD1-CG2 4.16Å; S719-T722 PolarHBondContact O-N 3.23Å; S719-T722 VanDerWaalsContact O-N 3.13Å; S719-T722 PolarHBondContact OG-N 3.24Å; S719-T722 VanDerWaalsContact OG-N 3.13Å; S719-T722 PolarHBondContact OG-OG1 3.25Å; T722-Q724 VanDerWaalsContact C-N 3.32Å; T722-Q724 PolarHBondContact O-N 2.88Å; T722-R725 WeakPolarHBondContact O-CB 3.28Å; T722-R725 PolarHBondContact O-N 2.78Å; T722-R725 VanDerWaalsContact O-N 3.15Å; T722-I726 HydrophobicContact CG2-CD1 3.87Å; T722-I726 WeakPolarHBondContact O-CG1 3.22Å; T722-I726 PolarHBondContact O-N 2.87Å
723	R	95.9	Very high	96.8	Very high	79 Å²	79	53.9 Å²	53.9	30%	0.298	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-42.1	176.9	-71.3	-177.5	64	88.7	-7.3	112	D713 F715 L718 S719 T720 R727	D713-R723 IonicContact OD1-NH1 3.85Å; D713-R723 PolarHBondContact OD1-NH1 2.77Å; D713-R723 IonicContact OD2-CZ 3.6Å; D713-R723 IonicContact OD2-NH1 3.76Å; D713-R723 PolarHBondContact OD2-NH1 3.41Å; D713-R723 IonicContact OD2-NH2 3.44Å; D713-R723 PolarHBondContact OD2-NH2 2.87Å; F715-R723 PolarHBondContact O-NH1 2.92Å; L718-R723 HydrophobicContact CB-CG 3.84Å; S719-R723 PolarHBondContact O-N 3.46Å; T720-R723 PolarHBondContact O-N 3.09Å; R723-R727 WeakPolarHBondContact O-CB 3.29Å; R723-R727 PolarHBondContact O-N 2.91Å
724	Q	97	Very high	97	Very high	103 Å²	103	53.7 Å²	53.7	48%	0.481	26%	0.263	S	S	.	.	H	α-helix	trans	-65.4	-39.4	176.4	-76.2	178.5	4.6	0	0	112.2	T720 T721 T722 K728	T720-Q724 HydrophobicContact CG2-CG 4.34Å; T720-Q724 WeakPolarHBondContact O-CB 3.49Å; T720-Q724 WeakPolarHBondContact O-CG 3.33Å; T720-Q724 PolarHBondContact O-N 3.07Å; T721-Q724 PolarHBondContact O-N 2.76Å; T722-Q724 VanDerWaalsContact C-N 3.32Å; T722-Q724 PolarHBondContact O-N 2.88Å; Q724-K728 WeakPolarHBondContact O-CB 3.36Å; Q724-K728 VanDerWaalsContact O-CG 3.28Å; Q724-K728 WeakPolarHBondContact O-CG 3.44Å; Q724-K728 PolarHBondContact O-N 3Å
725	R	96.6	Very high	97.1	Very high	103 Å²	103	55.3 Å²	55.3	39%	0.389	27%	0.271	S	S	.	.	H	α-helix	trans	-61.7	-52.1	174.9	-179.5	-175.7	170.9	90.9	7.9	111	D654 D655 T721 T722 R727 K728 G729	D654-R725 VanDerWaalsContact OD2-CD 3.32Å; D654-R725 WeakPolarHBondContact OD2-CD 3.26Å; D654-R725 IonicContact OD2-NE 2.7Å; D655-R725 IonicContact OD1-CZ 2.73Å; D655-R725 IonicContact OD1-NH2 3.17Å; D655-R725 PolarHBondContact OD1-NH2 2.94Å; D655-R725 IonicContact OD2-NH2 3.83Å; T721-R725 PolarHBondContact O-N 3.41Å; T722-R725 WeakPolarHBondContact O-CB 3.28Å; T722-R725 PolarHBondContact O-N 2.78Å; T722-R725 VanDerWaalsContact O-N 3.15Å; R725-R727 VanDerWaalsContact C-N 3.35Å; R725-R727 PolarHBondContact O-N 3.44Å; R725-K728 PolarHBondContact O-N 2.99Å; R725-G729 PolarHBondContact O-N 3.32Å
726	I	97.6	Very high	97.2	Very high	11 Å²	11	55.3 Å²	55.3	6%	0.056	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-49	177.9	-66.1	164.2	0	0	0	109.9	L657 I658 L718 T722 K728 G729 V730	L657-I726 HydrophobicContact CD2-CD1 3.65Å; L657-I726 HydrophobicContact CD2-CG1 4.3Å; I658-I726 HydrophobicContact CG1-CB 4.47Å; I658-I726 HydrophobicContact CG1-CG2 4.36Å; L718-I726 HydrophobicContact CD1-CD1 3.99Å; T722-I726 HydrophobicContact CG2-CD1 3.87Å; T722-I726 WeakPolarHBondContact O-CG1 3.22Å; T722-I726 PolarHBondContact O-N 2.87Å; I726-K728 PolarHBondContact O-N 2.95Å; I726-G729 PolarHBondContact O-N 2.81Å; I726-V730 HydrophobicContact CG2-CG2 4.13Å; I726-V730 WeakPolarHBondContact O-CG2 3.35Å; I726-V730 PolarHBondContact O-N 2.89Å
727	R	98.1	Very high	97.4	Very high	118 Å²	118	54 Å²	54	45%	0.445	26%	0.262	S	S	.	.	H	α-helix	trans	-55.8	-50	178.6	176.1	173.7	-179.7	94.8	0.9	112.1	F704 R723 R725 G729 V730 I731	F704-R727 HydrophobicContact CD1-CG 4.3Å; F704-R727 HydrophobicContact CE1-CB 3.79Å; F704-R727 HydrophobicContact CE1-CG 3.67Å; F704-R727 HydrophobicContact CE2-CG 4.1Å; F704-R727 HydrophobicContact CZ-CB 3.92Å; F704-R727 HydrophobicContact CZ-CG 3.58Å; R723-R727 WeakPolarHBondContact O-CB 3.29Å; R723-R727 PolarHBondContact O-N 2.91Å; R725-R727 VanDerWaalsContact C-N 3.35Å; R725-R727 PolarHBondContact O-N 3.44Å; R727-G729 VanDerWaalsContact C-N 3.32Å; R727-G729 PolarHBondContact O-N 3.49Å; R727-V730 PolarHBondContact O-N 3.3Å; R727-I731 HydrophobicContact CG-CD1 3.68Å; R727-I731 HydrophobicContact CG-CG1 4.37Å; R727-I731 WeakPolarHBondContact O-CG1 3.48Å; R727-I731 PolarHBondContact O-N 3.1Å
728	K	98.1	Very high	97.6	Very high	143 Å²	143	50.5 Å²	50.5	62%	0.622	25%	0.247	S	C	*	.	H	α-helix	trans	-60.6	-41.7	178.8	-75.6	174.6	-179.4	177.4	0	112	Q724 R725 I726 R732	Q724-K728 WeakPolarHBondContact O-CB 3.36Å; Q724-K728 VanDerWaalsContact O-CG 3.28Å; Q724-K728 WeakPolarHBondContact O-CG 3.44Å; Q724-K728 PolarHBondContact O-N 3Å; R725-K728 PolarHBondContact O-N 2.99Å; I726-K728 PolarHBondContact O-N 2.95Å; K728-R732 WeakPolarHBondContact O-CB 3.46Å; K728-R732 PolarHBondContact O-N 2.93Å; K728-R732 VanDerWaalsContact O-N 3.17Å
729	G	98.5	Very high	97.7	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-49.6	176.9	0	0	0	0	0	112.5	R725 I726 R727 R732 C733	R725-G729 PolarHBondContact O-N 3.32Å; I726-G729 PolarHBondContact O-N 2.81Å; R727-G729 VanDerWaalsContact C-N 3.32Å; R727-G729 PolarHBondContact O-N 3.49Å; G729-R732 PolarHBondContact O-N 2.98Å; G729-C733 WeakPolarHBondContact O-CB 3.3Å; G729-C733 PolarHBondContact O-N 3.24Å; G729-C733 PolarHBondContact O-SG 3.37Å
730	V	98.8	Very high	97.7	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-46	-179	170.7	0	0	0	0	111.7	I658 V661 S662 F704 I726 R727 R732 C733 I734	I658-V730 HydrophobicContact CG1-CG2 4.49Å; I658-V730 HydrophobicContact CG2-CG2 4.34Å; V661-V730 HydrophobicContact CB-CG2 4.12Å; V661-V730 HydrophobicContact CG1-CG1 4.42Å; V661-V730 HydrophobicContact CG1-CG2 3.85Å; S662-V730 WeakPolarHBondContact OG-CA 3.47Å; F704-V730 HydrophobicContact CE2-CG1 4.22Å; F704-V730 HydrophobicContact CZ-CB 4Å; F704-V730 HydrophobicContact CZ-CG1 3.92Å; I726-V730 HydrophobicContact CG2-CG2 4.13Å; I726-V730 WeakPolarHBondContact O-CG2 3.35Å; I726-V730 PolarHBondContact O-N 2.89Å; R727-V730 PolarHBondContact O-N 3.3Å; V730-R732 VanDerWaalsContact C-N 3.32Å; V730-R732 PolarHBondContact O-N 3.1Å; V730-C733 PolarHBondContact O-N 3.44Å; V730-I734 HydrophobicContact CG1-CD1 3.64Å; V730-I734 HydrophobicContact CG1-CG1 4.26Å; V730-I734 WeakPolarHBondContact O-CG1 3.42Å; V730-I734 PolarHBondContact O-N 3.46Å
731	I	98.7	Very high	97.7	Very high	49 Å²	49	51 Å²	51	25%	0.251	24%	0.238	S	C	.	.	H	α-helix	trans	-55.6	-49.3	175.3	-67.2	167.7	0	0	0	110.4	T700 F704 R727 C733 L735	T700-I731 HydrophobicContact CG2-CB 4.2Å; T700-I731 HydrophobicContact CG2-CG1 3.59Å; T700-I731 HydrophobicContact CG2-CG2 4.38Å; F704-I731 HydrophobicContact CD2-CG1 4.49Å; F704-I731 HydrophobicContact CE2-CD1 4.24Å; F704-I731 HydrophobicContact CE2-CG1 3.62Å; F704-I731 HydrophobicContact CZ-CG1 4.24Å; R727-I731 HydrophobicContact CG-CD1 3.68Å; R727-I731 HydrophobicContact CG-CG1 4.37Å; R727-I731 WeakPolarHBondContact O-CG1 3.48Å; R727-I731 PolarHBondContact O-N 3.1Å; I731-C733 VanDerWaalsContact C-N 3.34Å; I731-C733 PolarHBondContact O-N 2.75Å; I731-L735 HydrophobicContact CG2-CD1 3.65Å; I731-L735 HydrophobicContact CG2-CG 4.21Å; I731-L735 WeakPolarHBondContact O-CB 3.3Å; I731-L735 VanDerWaalsContact O-CG 3.26Å; I731-L735 WeakPolarHBondContact O-CG 3.22Å; I731-L735 PolarHBondContact O-N 3.02Å
732	R	98.6	Very high	97.8	Very high	69 Å²	69	46.3 Å²	46.3	26%	0.26	21%	0.208	S	C	.	.	H	α-helix	trans	-61.1	-43.9	-178.9	173.9	-176.5	58.3	-140.9	2.5	111.9	K728 G729 V730 A736 D780 V784	K728-R732 WeakPolarHBondContact O-CB 3.46Å; K728-R732 PolarHBondContact O-N 2.93Å; K728-R732 VanDerWaalsContact O-N 3.17Å; G729-R732 PolarHBondContact O-N 2.98Å; V730-R732 VanDerWaalsContact C-N 3.32Å; V730-R732 PolarHBondContact O-N 3.1Å; R732-A736 WeakPolarHBondContact O-CB 3.22Å; R732-A736 PolarHBondContact O-N 3.45Å; R732-D780 IonicContact CZ-OD1 2.73Å; R732-D780 IonicContact CZ-OD2 2.74Å; R732-D780 IonicContact NE-OD1 2.76Å; R732-D780 IonicContact NH1-OD1 3.77Å; R732-D780 PolarHBondContact NH1-OD1 3.01Å; R732-D780 IonicContact NH1-OD2 2.71Å; R732-D780 PolarHBondContact NH1-OD2 3.34Å; R732-D780 IonicContact NH2-OD1 3.53Å; R732-D780 PolarHBondContact NH2-OD1 3.39Å; R732-V784 HydrophobicContact CG-CG2 4.11Å
733	C	98.8	Very high	97.9	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-49.7	-179	-77.1	0	0	0	0	111.3	S662 G729 V730 I731 A736 L787	S662-C733 WeakPolarHBondContact OG-CB 3.44Å; G729-C733 WeakPolarHBondContact O-CB 3.3Å; G729-C733 PolarHBondContact O-N 3.24Å; G729-C733 PolarHBondContact O-SG 3.37Å; V730-C733 PolarHBondContact O-N 3.44Å; I731-C733 VanDerWaalsContact C-N 3.34Å; I731-C733 PolarHBondContact O-N 2.75Å; C733-A736 WeakPolarHBondContact O-CB 3.37Å; C733-A736 PolarHBondContact O-N 3.21Å; C733-A736 VanDerWaalsContact O-N 3.16Å; C733-L787 HydrophobicContact CB-CD2 3.64Å; C733-L787 WeakPolarHBondContact O-CD2 3.3Å
734	I	98.8	Very high	98	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-46.8	179.6	-62.5	176.8	0	0	0	111	C665 H666 H699 T700 V730 A736 T737	C665-I734 HydrophobicContact CB-CD1 4.09Å; H666-I734 HydrophobicContact CB-CG1 4.18Å; H666-I734 HydrophobicContact CB-CG2 4.4Å; H699-I734 HydrophobicContact CB-CG2 4.19Å; T700-I734 WeakPolarHBondContact OG1-CB 3.47Å; T700-I734 WeakPolarHBondContact OG1-CG2 3.3Å; V730-I734 HydrophobicContact CG1-CD1 3.64Å; V730-I734 HydrophobicContact CG1-CG1 4.26Å; V730-I734 WeakPolarHBondContact O-CG1 3.42Å; V730-I734 PolarHBondContact O-N 3.46Å; I734-A736 PolarHBondContact O-N 2.95Å; I734-T737 PolarHBondContact O-N 3.26Å; I734-T737 PolarHBondContact O-OG1 2.99Å
735	L	98.7	Very high	98.1	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.178	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.2	177.7	-68	-179.2	0	0	0	114.4	E696 N697 I731 R741	E696-L735 HydrophobicContact CB-CD2 3.96Å; N697-L735 HydrophobicContact CB-CD2 4.36Å; I731-L735 HydrophobicContact CG2-CD1 3.65Å; I731-L735 HydrophobicContact CG2-CG 4.21Å; I731-L735 WeakPolarHBondContact O-CB 3.3Å; I731-L735 VanDerWaalsContact O-CG 3.26Å; I731-L735 WeakPolarHBondContact O-CG 3.22Å; I731-L735 PolarHBondContact O-N 3.02Å; L735-R741 PolarHBondContact O-NH1 2.93Å; L735-R741 VanDerWaalsContact O-NH1 3.09Å
736	A	98.5	Very high	98.1	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.033	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-9.8	177.3	0	0	0	0	0	113.2	R732 C733 I734 D738 I745 V784 K788	R732-A736 WeakPolarHBondContact O-CB 3.22Å; R732-A736 PolarHBondContact O-N 3.45Å; C733-A736 WeakPolarHBondContact O-CB 3.37Å; C733-A736 PolarHBondContact O-N 3.21Å; C733-A736 VanDerWaalsContact O-N 3.16Å; I734-A736 PolarHBondContact O-N 2.95Å; A736-D738 PolarHBondContact O-N 2.91Å; A736-I745 HydrophobicContact CB-CD1 3.82Å; A736-V784 HydrophobicContact CB-CB 4.28Å; A736-V784 HydrophobicContact CB-CG1 3.41Å; A736-V784 VanDerWaalsContact CB-CG1 3.41Å; A736-V784 HydrophobicContact CB-CG2 3.91Å; A736-K788 VanDerWaalsContact O-CD 3.29Å; A736-K788 WeakPolarHBondContact O-CD 3.36Å; A736-K788 PolarHBondContact O-NZ 3.26Å
737	T	98.7	Very high	98.2	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.031	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-29	174.6	61.9	0	0	0	0	111.2	H666 I734 M739 L787 K788	H666-T737 HydrophobicContact CB-CG2 4.19Å; I734-T737 PolarHBondContact O-N 3.26Å; I734-T737 PolarHBondContact O-OG1 2.99Å; T737-M739 PolarHBondContact O-N 2.78Å; T737-L787 HydrophobicContact CG2-CD2 3.89Å; T737-L787 HydrophobicContact CG2-CG 4.08Å; T737-K788 PolarHBondContact O-NZ 3.35Å
738	D	98.6	Very high	98.2	Very high	14 Å²	14	42.8 Å²	42.8	8%	0.075	21%	0.208	C	C	.	.			trans	-46.9	112.4	175.2	-169.6	-7	0	0	0	111.5	S693 E696 A736 S740 R741	S693-D738 WeakPolarHBondContact CB-OD2 2.89Å; S693-D738 PolarHBondContact OG-OD2 2.61Å; E696-D738 HydrophobicContact CG-CB 3.91Å; A736-D738 PolarHBondContact O-N 2.91Å; D738-S740 PolarHBondContact O-N 3.48Å; D738-S740 VanDerWaalsContact O-N 3.13Å; D738-S740 VanDerWaalsContact OD1-CB 3.22Å; D738-S740 WeakPolarHBondContact OD1-CB 3.33Å; D738-S740 PolarHBondContact OD1-N 2.96Å; D738-R741 PolarHBondContact O-N 2.83Å
739	M	97.5	Very high	98.2	Very high	70 Å²	70	36 Å²	36	35%	0.345	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-67.2	-13.5	-178	-71.5	-58.6	-66.2	0	0	112.4	T737 R741 H742 I792 V849	T737-M739 PolarHBondContact O-N 2.78Å; M739-R741 PolarHBondContact O-N 3.31Å; M739-H742 HydrophobicContact CE-CB 3.95Å; M739-H742 WeakPolarHBondContact O-CB 3.44Å; M739-H742 PolarHBondContact O-N 3.39Å; M739-H742 HydrophobicContact SD-CB 4.35Å; M739-I792 HydrophobicContact SD-CG2 4.43Å; M739-V849 HydrophobicContact CE-CG1 3.53Å
740	S	96.4	Very high	98.2	Very high	47 Å²	47	38.1 Å²	38.1	33%	0.329	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-57.5	-30.2	167.7	123.8	0	0	0	0	113.9	I71 D738	I71-S740 VanDerWaalsContact CG2-O 3.31Å; I71-S740 WeakPolarHBondContact CG2-O 3.43Å; I71-S740 WeakPolarHBondContact CG2-OG 3.47Å; D738-S740 PolarHBondContact O-N 3.48Å; D738-S740 VanDerWaalsContact O-N 3.13Å; D738-S740 VanDerWaalsContact OD1-CB 3.22Å; D738-S740 WeakPolarHBondContact OD1-CB 3.33Å; D738-S740 PolarHBondContact OD1-N 2.96Å
741	R	96.6	Very high	98.1	Very high	75 Å²	75	45 Å²	45	28%	0.283	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-101.8	5.2	-174.7	-56.1	-179.9	62.8	-151.6	-2.5	112.5	L735 D738 M739 N743 E744 I745	L735-R741 PolarHBondContact O-NH1 2.93Å; L735-R741 VanDerWaalsContact O-NH1 3.09Å; D738-R741 PolarHBondContact O-N 2.83Å; M739-R741 PolarHBondContact O-N 3.31Å; R741-N743 PolarHBondContact O-N 2.99Å; R741-E744 IonicContact NH2-OE1 3.25Å; R741-E744 PolarHBondContact O-N 2.99Å; R741-I745 HydrophobicContact CB-CD1 3.73Å; R741-I745 HydrophobicContact CB-CG1 4.32Å; R741-I745 WeakPolarHBondContact O-CB 3.5Å; R741-I745 WeakPolarHBondContact O-CD1 3.39Å; R741-I745 VanDerWaalsContact O-CG1 3.3Å; R741-I745 WeakPolarHBondContact O-CG1 3.48Å; R741-I745 PolarHBondContact O-N 3.13Å
742	H	97.8	Very high	98	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-53.4	-54.3	-173	178.2	88.7	0	0	0	113.2	M739 I745 L746	M739-H742 HydrophobicContact CE-CB 3.95Å; M739-H742 WeakPolarHBondContact O-CB 3.44Å; M739-H742 PolarHBondContact O-N 3.39Å; M739-H742 HydrophobicContact SD-CB 4.35Å; H742-I745 PolarHBondContact O-N 3.39Å; H742-L746 WeakPolarHBondContact O-CB 3.37Å; H742-L746 PolarHBondContact O-N 3.4Å
743	N	97.4	Very high	98	Very high	73 Å²	73	42 Å²	42	39%	0.39	20%	0.203	S	C	.	.	H	α-helix	trans	-68.6	-40.4	-177.6	-64.1	-42.3	0	0	0	112.2	T68 R741 I745 L746 D747	T68-N743 WeakPolarHBondContact CG2-ND2 3.32Å; R741-N743 PolarHBondContact O-N 2.99Å; N743-I745 VanDerWaalsContact C-N 3.31Å; N743-I745 PolarHBondContact O-N 2.9Å; N743-L746 PolarHBondContact O-N 2.85Å; N743-D747 VanDerWaalsContact O-CB 3.24Å; N743-D747 WeakPolarHBondContact O-CB 3.35Å; N743-D747 PolarHBondContact O-N 3.37Å
744	E	98.1	Very high	97.9	Very high	122 Å²	122	43.3 Å²	43.3	57%	0.57	21%	0.21	S	C	*	.	H	α-helix	trans	-55.8	-48.3	176.3	177.8	-167.2	136.4	0	0	110.9	R741 E748	R741-E744 IonicContact NH2-OE1 3.25Å; R741-E744 PolarHBondContact O-N 2.99Å; E744-E748 VanDerWaalsContact O-CB 3.22Å; E744-E748 WeakPolarHBondContact O-CB 3.47Å; E744-E748 PolarHBondContact O-N 3.37Å
745	I	98.4	Very high	97.8	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.056	24%	0.242	C	C	.	.	H	α-helix	trans	-68.5	-43.2	-179.4	-67.8	164	0	0	0	111.4	A736 R741 H742 N743 E748 F749 V784 I785 K788	A736-I745 HydrophobicContact CB-CD1 3.82Å; R741-I745 HydrophobicContact CB-CD1 3.73Å; R741-I745 HydrophobicContact CB-CG1 4.32Å; R741-I745 WeakPolarHBondContact O-CB 3.5Å; R741-I745 WeakPolarHBondContact O-CD1 3.39Å; R741-I745 VanDerWaalsContact O-CG1 3.3Å; R741-I745 WeakPolarHBondContact O-CG1 3.48Å; R741-I745 PolarHBondContact O-N 3.13Å; H742-I745 PolarHBondContact O-N 3.39Å; N743-I745 VanDerWaalsContact C-N 3.31Å; N743-I745 PolarHBondContact O-N 2.9Å; I745-E748 PolarHBondContact O-N 3.05Å; I745-F749 WeakPolarHBondContact O-CB 3.35Å; I745-F749 PolarHBondContact O-N 3.44Å; I745-V784 HydrophobicContact CD1-CG1 4.36Å; I745-V784 HydrophobicContact CG2-CG1 3.54Å; I745-I785 HydrophobicContact CG2-CD1 4.11Å; I745-K788 HydrophobicContact CD1-CD 4.19Å; I745-K788 HydrophobicContact CG2-CD 4.12Å
746	L	98.4	Very high	97.6	Very high	12 Å²	12	51.2 Å²	51.2	6%	0.063	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-44.3	-179.5	-180	57.8	0	0	0	111.7	H742 N743 E748 F749 N750 P852 L853	H742-L746 WeakPolarHBondContact O-CB 3.37Å; H742-L746 PolarHBondContact O-N 3.4Å; N743-L746 PolarHBondContact O-N 2.85Å; L746-E748 VanDerWaalsContact C-N 3.28Å; L746-E748 PolarHBondContact O-N 2.89Å; L746-F749 PolarHBondContact O-N 3.43Å; L746-N750 WeakPolarHBondContact O-CB 3.27Å; L746-N750 PolarHBondContact O-N 3.03Å; L746-N750 PolarHBondContact O-ND2 3.35Å; L746-P852 HydrophobicContact CD2-CB 4.1Å; L746-L853 HydrophobicContact CD1-CD1 4.11Å
747	D	98.3	Very high	97.4	Very high	103 Å²	103	54 Å²	54	55%	0.551	27%	0.27	S	S	*	.	H	α-helix	trans	-60.8	-42.1	175.5	-71.9	-20.2	0	0	0	110.5	N743 N750 R751	N743-D747 VanDerWaalsContact O-CB 3.24Å; N743-D747 WeakPolarHBondContact O-CB 3.35Å; N743-D747 PolarHBondContact O-N 3.37Å; D747-N750 PolarHBondContact O-N 3.2Å; D747-R751 WeakPolarHBondContact O-CB 3.49Å; D747-R751 PolarHBondContact O-N 3.45Å
748	E	98.1	Very high	97.3	Very high	55 Å²	55	60.3 Å²	60.3	26%	0.257	30%	0.304	S	S	.	.	H	α-helix	trans	-65.4	-42.6	178.1	-171.4	67.3	172.8	0	0	112.7	E744 I745 L746 R751 Q752 L781	E744-E748 VanDerWaalsContact O-CB 3.22Å; E744-E748 WeakPolarHBondContact O-CB 3.47Å; E744-E748 PolarHBondContact O-N 3.37Å; I745-E748 PolarHBondContact O-N 3.05Å; L746-E748 VanDerWaalsContact C-N 3.28Å; L746-E748 PolarHBondContact O-N 2.89Å; E748-R751 PolarHBondContact O-N 3.22Å; E748-R751 IonicContact OE1-CZ 3.64Å; E748-R751 IonicContact OE1-NH2 3.07Å; E748-R751 PolarHBondContact OE1-NH2 3.38Å; E748-R751 IonicContact OE2-CZ 3.68Å; E748-R751 IonicContact OE2-NE 3.46Å; E748-R751 PolarHBondContact OE2-NE 2.91Å; E748-R751 IonicContact OE2-NH2 2.69Å; E748-R751 PolarHBondContact OE2-NH2 2.97Å; E748-Q752 HydrophobicContact CG-CG 4.41Å; E748-Q752 WeakPolarHBondContact O-CB 3.12Å; E748-Q752 PolarHBondContact O-N 3.2Å; E748-Q752 PolarHBondContact OE1-NE2 3.35Å; E748-L781 HydrophobicContact CB-CD2 4.26Å; E748-L781 HydrophobicContact CG-CD1 3.97Å; E748-L781 HydrophobicContact CG-CD2 3.87Å
749	F	98.4	Very high	97.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-47.6	173.6	176.2	-113.2	0	0	0	111.7	I745 L746 R751 V753 L754 L781 V782 I785 L860	I745-F749 WeakPolarHBondContact O-CB 3.35Å; I745-F749 PolarHBondContact O-N 3.44Å; L746-F749 PolarHBondContact O-N 3.43Å; F749-R751 VanDerWaalsContact C-N 3.29Å; F749-R751 PolarHBondContact O-N 2.97Å; F749-V753 HydrophobicContact CD2-CB 3.84Å; F749-V753 HydrophobicContact CD2-CG1 4.44Å; F749-V753 HydrophobicContact CD2-CG2 3.56Å; F749-V753 HydrophobicContact CE2-CB 3.66Å; F749-V753 HydrophobicContact CE2-CG1 3.77Å; F749-V753 HydrophobicContact CE2-CG2 3.69Å; F749-V753 HydrophobicContact CZ-CB 4.37Å; F749-V753 HydrophobicContact CZ-CG1 4.3Å; F749-V753 WeakPolarHBondContact O-CA 3.49Å; F749-V753 VanDerWaalsContact O-CB 3.3Å; F749-V753 WeakPolarHBondContact O-CB 3.46Å; F749-V753 PolarHBondContact O-N 2.88Å; F749-L754 HydrophobicContact CD1-CD1 4.25Å; F749-L754 HydrophobicContact CD1-CG 4.37Å; F749-L754 HydrophobicContact CE1-CD1 3.86Å; F749-L754 HydrophobicContact CE1-CD2 4.11Å; F749-L754 HydrophobicContact CE1-CG 3.96Å; F749-L754 HydrophobicContact CZ-CD2 4.07Å; F749-L754 HydrophobicContact CZ-CG 4.31Å; F749-L754 PolarHBondContact O-N 3.33Å; F749-L781 HydrophobicContact CD2-CB 4.13Å; F749-V782 HydrophobicContact CE2-CG2 3.7Å; F749-I785 HydrophobicContact CB-CD1 3.94Å; F749-I785 HydrophobicContact CB-CG1 3.94Å; F749-I785 HydrophobicContact CD1-CD1 4.09Å; F749-I785 HydrophobicContact CD1-CG1 3.94Å; F749-I785 HydrophobicContact CD2-CG1 3.87Å; F749-I785 HydrophobicContact CE1-CG1 4.42Å; F749-I785 HydrophobicContact CE2-CG1 4.37Å; F749-I785 HydrophobicContact CG-CD1 4Å; F749-I785 HydrophobicContact CG-CG1 3.63Å; F749-L860 HydrophobicContact CE2-CD2 4.34Å; F749-L860 HydrophobicContact CZ-CB 4.42Å; F749-L860 HydrophobicContact CZ-CD2 4.19Å
750	N	98	Very high	97.1	Very high	47 Å²	47	58.1 Å²	58.1	25%	0.251	30%	0.299	S	S	.	.	I	π-helix	trans	-60	-41.9	177.8	-68.7	-25.2	0	0	0	111.4	L746 D747 L754 T755 S856	L746-N750 WeakPolarHBondContact O-CB 3.27Å; L746-N750 PolarHBondContact O-N 3.03Å; L746-N750 PolarHBondContact O-ND2 3.35Å; D747-N750 PolarHBondContact O-N 3.2Å; N750-L754 CarbonylContact O-C 3.51Å; N750-L754 PolarHBondContact O-N 2.85Å; N750-L754 VanDerWaalsContact OD1-CD1 3.29Å; N750-L754 WeakPolarHBondContact OD1-CD1 3.45Å; N750-T755 PolarHBondContact O-N 3.28Å; N750-T755 PolarHBondContact O-OG1 3.06Å; N750-T755 VanDerWaalsContact O-OG1 3.06Å; N750-S856 WeakPolarHBondContact OD1-CB 3.31Å; N750-S856 PolarHBondContact OD1-OG 3.49Å
751	R	97.7	Very high	97.2	Very high	145 Å²	145	59.9 Å²	59.9	55%	0.547	30%	0.299	S	S	.	.	I	π-helix	trans	-71.7	-45.5	-178.7	-171.7	-178	66.3	78.1	-8.8	112.9	D747 E748 F749 T755	D747-R751 WeakPolarHBondContact O-CB 3.49Å; D747-R751 PolarHBondContact O-N 3.45Å; E748-R751 PolarHBondContact O-N 3.22Å; E748-R751 IonicContact OE1-CZ 3.64Å; E748-R751 IonicContact OE1-NH2 3.07Å; E748-R751 PolarHBondContact OE1-NH2 3.38Å; E748-R751 IonicContact OE2-CZ 3.68Å; E748-R751 IonicContact OE2-NE 3.46Å; E748-R751 PolarHBondContact OE2-NE 2.91Å; E748-R751 IonicContact OE2-NH2 2.69Å; E748-R751 PolarHBondContact OE2-NH2 2.97Å; F749-R751 VanDerWaalsContact C-N 3.29Å; F749-R751 PolarHBondContact O-N 2.97Å; R751-T755 WeakPolarHBondContact CA-OG1 3.22Å; R751-T755 WeakPolarHBondContact O-CB 3.2Å; R751-T755 PolarHBondContact O-OG1 2.91Å
752	Q	96.8	Very high	97.2	Very high	53 Å²	53	62.4 Å²	62.4	25%	0.248	31%	0.314	C	S	.	.	I	π-helix	trans	-85.8	-28.1	-174.6	-70.6	-148.3	43.2	0	0	114	E748 Q778 L781	E748-Q752 HydrophobicContact CG-CG 4.41Å; E748-Q752 WeakPolarHBondContact O-CB 3.12Å; E748-Q752 PolarHBondContact O-N 3.2Å; E748-Q752 PolarHBondContact OE1-NE2 3.35Å; Q752-Q778 PolarHBondContact O-NE2 3.38Å; Q752-L781 HydrophobicContact CB-CD1 3.78Å; Q752-L781 HydrophobicContact CG-CD1 4.11Å
753	V	97.3	Very high	97.2	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.012	33%	0.334	C	S	.	.	I	π-helix	trans	-113.1	-43.7	-172.1	-170.8	0	0	0	0	112	F749 Q778 L781 V782 L860	F749-V753 HydrophobicContact CD2-CB 3.84Å; F749-V753 HydrophobicContact CD2-CG1 4.44Å; F749-V753 HydrophobicContact CD2-CG2 3.56Å; F749-V753 HydrophobicContact CE2-CB 3.66Å; F749-V753 HydrophobicContact CE2-CG1 3.77Å; F749-V753 HydrophobicContact CE2-CG2 3.69Å; F749-V753 HydrophobicContact CZ-CB 4.37Å; F749-V753 HydrophobicContact CZ-CG1 4.3Å; F749-V753 WeakPolarHBondContact O-CA 3.49Å; F749-V753 VanDerWaalsContact O-CB 3.3Å; F749-V753 WeakPolarHBondContact O-CB 3.46Å; F749-V753 PolarHBondContact O-N 2.88Å; V753-Q778 HydrophobicContact CG2-CB 3.95Å; V753-Q778 HydrophobicContact CG2-CG 4.02Å; V753-L781 HydrophobicContact CG2-CB 4.49Å; V753-L781 HydrophobicContact CG2-CD1 4.47Å; V753-V782 HydrophobicContact CG1-CG2 4.42Å; V753-L860 HydrophobicContact CG1-CD1 3.94Å; V753-L860 HydrophobicContact CG1-CD2 3.91Å; V753-L860 HydrophobicContact CG1-CG 4.48Å
754	L	97.4	Very high	97	Very high	28 Å²	28	65 Å²	65	15%	0.147	33%	0.327	C	S	.	.	I	π-helix	trans	-94	-11.2	-171.8	-54.7	-173.5	0	0	0	114.9	F749 N750 D756 L757 S856 K859 L860	F749-L754 HydrophobicContact CD1-CD1 4.25Å; F749-L754 HydrophobicContact CD1-CG 4.37Å; F749-L754 HydrophobicContact CE1-CD1 3.86Å; F749-L754 HydrophobicContact CE1-CD2 4.11Å; F749-L754 HydrophobicContact CE1-CG 3.96Å; F749-L754 HydrophobicContact CZ-CD2 4.07Å; F749-L754 HydrophobicContact CZ-CG 4.31Å; F749-L754 PolarHBondContact O-N 3.33Å; N750-L754 CarbonylContact O-C 3.51Å; N750-L754 PolarHBondContact O-N 2.85Å; N750-L754 VanDerWaalsContact OD1-CD1 3.29Å; N750-L754 WeakPolarHBondContact OD1-CD1 3.45Å; L754-D756 VanDerWaalsContact C-N 3.31Å; L754-D756 PolarHBondContact O-N 3.45Å; L754-L757 HydrophobicContact CD2-CD1 4.44Å; L754-S856 WeakPolarHBondContact CD1-O 3.26Å; L754-K859 HydrophobicContact CD1-CB 4.22Å; L754-K859 HydrophobicContact CD1-CD 4.03Å; L754-K859 HydrophobicContact CD2-CB 4.23Å; L754-L860 HydrophobicContact CD2-CB 3.93Å
755	T	95.8	Very high	96.8	Very high	109 Å²	109	64.4 Å²	64.4	67%	0.669	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-37.7	-178.4	-66.6	0	0	0	0	111.8	N750 R751	N750-T755 PolarHBondContact O-N 3.28Å; N750-T755 PolarHBondContact O-OG1 3.06Å; N750-T755 VanDerWaalsContact O-OG1 3.06Å; R751-T755 WeakPolarHBondContact CA-OG1 3.22Å; R751-T755 WeakPolarHBondContact O-CB 3.2Å; R751-T755 PolarHBondContact O-OG1 2.91Å
756	D	95	Very high	96.6	Very high	91 Å²	91	70.7 Å²	70.7	49%	0.487	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	84.6	170	-169.4	-16.5	0	0	0	109.4	L754 N758 A759 A760	L754-D756 VanDerWaalsContact C-N 3.31Å; L754-D756 PolarHBondContact O-N 3.45Å; D756-N758 PolarHBondContact O-N 3.43Å; D756-N758 PolarHBondContact OD1-N 2.88Å; D756-A759 HydrophobicContact CB-CB 3.93Å; D756-A759 PolarHBondContact O-N 2.77Å; D756-A759 PolarHBondContact OD1-N 3.25Å; D756-A759 WeakPolarHBondContact OD2-CB 3.42Å; D756-A760 PolarHBondContact O-N 3.28Å
757	L	95.5	Very high	96.3	Very high	62 Å²	62	73 Å²	73	33%	0.325	38%	0.382	S	S	.	.	H	α-helix	trans	-63.8	-29.4	-179.4	-174.7	62.9	0	0	0	112.2	L754 W761 K859 L860	L754-L757 HydrophobicContact CD2-CD1 4.44Å; L757-W761 PolarHBondContact O-N 3.49Å; L757-K859 WeakPolarHBondContact CD2-O 3.37Å; L757-L860 HydrophobicContact CD1-CD1 3.94Å
758	N	95.8	Very high	96.1	Very high	139 Å²	139	76.2 Å²	76.2	74%	0.743	39%	0.391	S	S	*	.	H	α-helix	trans	-70.3	-45.3	177.8	-69.6	-26.7	0	0	0	110.4	D756 A760 W761 E762	D756-N758 PolarHBondContact O-N 3.43Å; D756-N758 PolarHBondContact OD1-N 2.88Å; N758-A760 VanDerWaalsContact C-N 3.32Å; N758-A760 PolarHBondContact O-N 2.98Å; N758-W761 CarbonylContact O-C 3.54Å; N758-W761 PolarHBondContact O-N 3.15Å; N758-E762 PolarHBondContact O-N 2.95Å
759	A	95.7	Very high	95.9	Very high	36 Å²	36	75.5 Å²	75.5	30%	0.298	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-38.1	175.2	0	0	0	0	0	112.2	D756 W761 E762 T771	D756-A759 HydrophobicContact CB-CB 3.93Å; D756-A759 PolarHBondContact O-N 2.77Å; D756-A759 PolarHBondContact OD1-N 3.25Å; D756-A759 WeakPolarHBondContact OD2-CB 3.42Å; A759-W761 PolarHBondContact O-N 2.7Å; A759-E762 WeakPolarHBondContact O-CB 3.42Å; A759-E762 PolarHBondContact O-N 2.9Å; A759-T771 VanDerWaalsContact O-CB 3.26Å; A759-T771 WeakPolarHBondContact O-CB 3.19Å; A759-T771 PolarHBondContact O-OG1 2.79Å
760	A	96.7	Very high	95.9	Very high	2 Å²	2	75.7 Å²	75.7	2%	0.017	39%	0.388	C	S	.	.	H	α-helix	trans	-56.9	-38.7	175.2	0	0	0	0	0	112	D756 N758 T771 W772 L860	D756-A760 PolarHBondContact O-N 3.28Å; N758-A760 VanDerWaalsContact C-N 3.32Å; N758-A760 PolarHBondContact O-N 2.98Å; A760-T771 PolarHBondContact O-N 3.25Å; A760-W772 HydrophobicContact CB-CB 4.16Å; A760-W772 PolarHBondContact O-N 3.09Å; A760-L860 HydrophobicContact CB-CD1 4.37Å
761	W	97.3	Very high	95.8	Very high	84 Å²	84	75.6 Å²	75.6	32%	0.318	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	2	-179.2	-82.2	110.1	0	0	0	115.4	L650 L757 N758 A759 I763 P770 W772 L860 L861	L650-W761 HydrophobicContact CD1-CH2 4.1Å; L757-W761 PolarHBondContact O-N 3.49Å; N758-W761 CarbonylContact O-C 3.54Å; N758-W761 PolarHBondContact O-N 3.15Å; A759-W761 PolarHBondContact O-N 2.7Å; W761-I763 PolarHBondContact O-N 3.49Å; W761-P770 HydrophobicContact CE3-CB 3.8Å; W761-P770 HydrophobicContact CE3-CG 3.45Å; W761-P770 VanDerWaalsContact CE3-CG 3.45Å; W761-P770 HydrophobicContact CH2-CG 4.38Å; W761-P770 HydrophobicContact CZ3-CB 4.14Å; W761-P770 HydrophobicContact CZ3-CG 3.35Å; W761-W772 AromaticContact CE2-NE1 3.95Å; W761-W772 AromaticContact CH2-NE1 3.94Å; W761-W772 AromaticContact CZ2-NE1 3.89Å; W761-L860 VanDerWaalsContact CZ2-O 3.24Å; W761-L860 WeakPolarHBondContact CZ2-O 3.35Å; W761-L860 PolarHBondContact NE1-O 3.29Å; W761-L861 HydrophobicContact CH2-CD2 4.25Å; W761-L861 HydrophobicContact CZ2-CD2 3.91Å
762	E	97	Very high	95.8	Very high	128 Å²	128	68.7 Å²	68.7	60%	0.598	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-58.6	132.5	170.8	-173.5	176.1	-177.3	0	0	109.7	N758 A759 P770 T771	N758-E762 PolarHBondContact O-N 2.95Å; A759-E762 WeakPolarHBondContact O-CB 3.42Å; A759-E762 PolarHBondContact O-N 2.9Å; E762-P770 CarbonylContact O-C 3.46Å; E762-P770 WeakPolarHBondContact O-CA 3.36Å; E762-T771 PolarHBondContact O-N 3.06Å; E762-T771 PolarHBondContact O-OG1 3.39Å; E762-T771 VanDerWaalsContact O-OG1 3.06Å
763	I	97	Very high	95.8	Very high	92 Å²	92	66.2 Å²	66.2	47%	0.472	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-90.8	121.3	-174.8	-59.2	-59.5	0	0	0	109.2	W761 P770	W761-I763 PolarHBondContact O-N 3.49Å; I763-P770 HydrophobicContact CD1-CB 4.46Å; I763-P770 HydrophobicContact CD1-CG 4.04Å
764	D	93.9	Very high	95.8	Very high	45 Å²	45	70.7 Å²	70.7	24%	0.241	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-65.4	124.9	171.4	171.2	-102.5	0	0	0	109.8	N766 T767 K768 K769 M774	D764-N766 PolarHBondContact O-N 3.32Å; D764-N766 PolarHBondContact OD1-N 2.7Å; D764-T767 WeakPolarHBondContact CB-OG1 3.43Å; D764-T767 WeakPolarHBondContact OD1-CB 3.32Å; D764-T767 WeakPolarHBondContact OD1-CG2 3.46Å; D764-T767 PolarHBondContact OD1-N 3.14Å; D764-T767 PolarHBondContact OD1-OG1 3.21Å; D764-K768 VanDerWaalsContact O-CA 3.28Å; D764-K768 WeakPolarHBondContact O-CA 3.5Å; D764-K768 PolarHBondContact O-N 2.87Å; D764-K769 PolarHBondContact N-O 2.91Å; D764-M774 HydrophobicContact CB-CG 4.35Å
765	P	94	Very high	95.7	Very high	108 Å²	108	72.4 Å²	72.4	70%	0.701	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.3	-172.7	24.4	-34.4	0	0	0	113.7
766	N	93.7	Very high	95.8	Very high	143 Å²	143	73.7 Å²	73.7	77%	0.765	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-47.9	-176.9	-61	-54.5	0	0	0	111.8	D764	D764-N766 PolarHBondContact O-N 3.32Å; D764-N766 PolarHBondContact OD1-N 2.7Å
767	T	92.6	Very high	95.9	Very high	60 Å²	60	72.4 Å²	72.4	37%	0.368	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-17.4	-176	60.4	0	0	0	0	113.2	D764 K769 M774	D764-T767 WeakPolarHBondContact CB-OG1 3.43Å; D764-T767 WeakPolarHBondContact OD1-CB 3.32Å; D764-T767 WeakPolarHBondContact OD1-CG2 3.46Å; D764-T767 PolarHBondContact OD1-N 3.14Å; D764-T767 PolarHBondContact OD1-OG1 3.21Å; T767-K769 PolarHBondContact O-N 3.03Å; T767-K769 PolarHBondContact OG1-N 3.34Å; T767-M774 HydrophobicContact CG2-CE 3.53Å; T767-M774 HydrophobicContact CG2-SD 3.93Å; T767-M774 PolarHBondContact OG1-SD 3.3Å
768	K	93.6	Very high	96	Very high	172 Å²	172	70.8 Å²	70.8	75%	0.748	37%	0.366	S	S	*	.			trans	57.6	25.8	-171.9	-53.4	178.7	-179.4	177.7	0	112.7	D764	D764-K768 VanDerWaalsContact O-CA 3.28Å; D764-K768 WeakPolarHBondContact O-CA 3.5Å; D764-K768 PolarHBondContact O-N 2.87Å
769	K	94.7	Very high	96.1	Very high	40 Å²	40	65 Å²	65	17%	0.174	33%	0.334	C	S	.	.			trans	-110	151.9	178.4	-68.5	-172	174.3	-159.6	0	110.8	L650 D652 D764 T767 V773 M774	L650-K769 PolarHBondContact O-NZ 3.36Å; D652-K769 IonicContact OD1-NZ 3.6Å; D652-K769 PolarHBondContact OD1-NZ 3.01Å; D764-K769 PolarHBondContact N-O 2.91Å; T767-K769 PolarHBondContact O-N 3.03Å; T767-K769 PolarHBondContact OG1-N 3.34Å; K769-V773 HydrophobicContact CB-CB 4.48Å; K769-V773 HydrophobicContact CD-CG1 4.01Å; K769-M774 HydrophobicContact CB-CG 4.27Å; K769-M774 HydrophobicContact CB-SD 4.09Å; K769-M774 HydrophobicContact CD-SD 4.32Å
770	P	97.4	Very high	96.2	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.019	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-61.2	148.3	173.4	-22.3	33.2	0	0	0	113.1	L650 W761 E762 I763 W772 V773 M774	L650-P770 HydrophobicContact CD2-CG 3.97Å; W761-P770 HydrophobicContact CE3-CB 3.8Å; W761-P770 HydrophobicContact CE3-CG 3.45Å; W761-P770 VanDerWaalsContact CE3-CG 3.45Å; W761-P770 HydrophobicContact CH2-CG 4.38Å; W761-P770 HydrophobicContact CZ3-CB 4.14Å; W761-P770 HydrophobicContact CZ3-CG 3.35Å; E762-P770 CarbonylContact O-C 3.46Å; E762-P770 WeakPolarHBondContact O-CA 3.36Å; I763-P770 HydrophobicContact CD1-CB 4.46Å; I763-P770 HydrophobicContact CD1-CG 4.04Å; P770-W772 HydrophobicContact CB-CG 4.34Å; P770-W772 PolarHBondContact O-N 3.18Å; P770-V773 HydrophobicContact CB-CG2 4.26Å; P770-V773 HydrophobicContact CG-CG2 4.27Å; P770-V773 WeakPolarHBondContact O-CB 3.31Å; P770-V773 PolarHBondContact O-N 3.18Å; P770-M774 PolarHBondContact O-N 2.8Å
771	T	97	Very high	96.3	Very high	46 Å²	46	65.1 Å²	65.1	28%	0.282	33%	0.329	S	S	.	.	H	α-helix	trans	-51.2	-40.9	176.7	-62.6	0	0	0	0	112.6	A759 A760 E762 V773 M774 N775	A759-T771 VanDerWaalsContact O-CB 3.26Å; A759-T771 WeakPolarHBondContact O-CB 3.19Å; A759-T771 PolarHBondContact O-OG1 2.79Å; A760-T771 PolarHBondContact O-N 3.25Å; E762-T771 PolarHBondContact O-N 3.06Å; E762-T771 PolarHBondContact O-OG1 3.39Å; E762-T771 VanDerWaalsContact O-OG1 3.06Å; T771-V773 PolarHBondContact O-N 2.83Å; T771-M774 PolarHBondContact O-N 3.03Å; T771-M774 VanDerWaalsContact O-N 3.09Å; T771-N775 WeakPolarHBondContact O-CB 3.41Å; T771-N775 PolarHBondContact O-N 2.64Å
772	W	97.4	Very high	96.3	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.1	-29	-179.6	74.8	-103.5	0	0	0	113.8	L647 L650 L651 A760 W761 P770 Q778 K779 V782 L860 L861	L647-W772 HydrophobicContact CD2-CH2 4.07Å; L650-W772 HydrophobicContact CB-CH2 4.47Å; L650-W772 HydrophobicContact CB-CZ2 4.45Å; L650-W772 HydrophobicContact CD1-CH2 4.41Å; L650-W772 HydrophobicContact CD1-CZ2 3.77Å; L651-W772 HydrophobicContact CD2-CH2 4.39Å; L651-W772 HydrophobicContact CD2-CZ3 4.22Å; A760-W772 HydrophobicContact CB-CB 4.16Å; A760-W772 PolarHBondContact O-N 3.09Å; W761-W772 AromaticContact CE2-NE1 3.95Å; W761-W772 AromaticContact CH2-NE1 3.94Å; W761-W772 AromaticContact CZ2-NE1 3.89Å; P770-W772 HydrophobicContact CB-CG 4.34Å; P770-W772 PolarHBondContact O-N 3.18Å; W772-Q778 VanDerWaalsContact CA-OE1 3.24Å; W772-Q778 HydrophobicContact CB-CB 4.25Å; W772-K779 PolarHBondContact O-N 3.25Å; W772-K779 VanDerWaalsContact O-N 3.13Å; W772-V782 HydrophobicContact CE3-CB 4.28Å; W772-V782 HydrophobicContact CE3-CG1 4.4Å; W772-V782 HydrophobicContact CE3-CG2 3.77Å; W772-V782 HydrophobicContact CH2-CG1 4.12Å; W772-V782 HydrophobicContact CZ3-CB 3.97Å; W772-V782 HydrophobicContact CZ3-CG1 3.71Å; W772-V782 HydrophobicContact CZ3-CG2 3.93Å; W772-L860 HydrophobicContact CD2-CD2 4.3Å; W772-L860 HydrophobicContact CG-CD1 4.3Å; W772-L861 HydrophobicContact CZ2-CD2 4.15Å
773	V	97.6	Very high	96.4	Very high	1 Å²	1	55 Å²	55	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-76.4	-38.2	176.6	-178.9	0	0	0	0	110.8	L650 K769 P770 T771 K779	L650-V773 HydrophobicContact CB-CG2 4.12Å; L650-V773 WeakPolarHBondContact O-CG1 3.3Å; K769-V773 HydrophobicContact CB-CB 4.48Å; K769-V773 HydrophobicContact CD-CG1 4.01Å; P770-V773 HydrophobicContact CB-CG2 4.26Å; P770-V773 HydrophobicContact CG-CG2 4.27Å; P770-V773 WeakPolarHBondContact O-CB 3.31Å; P770-V773 PolarHBondContact O-N 3.18Å; T771-V773 PolarHBondContact O-N 2.83Å; V773-K779 HydrophobicContact CG1-CD 4.35Å; V773-K779 WeakPolarHBondContact O-CD 3.36Å; V773-K779 WeakPolarHBondContact O-CE 3.42Å
774	M	96	Very high	96.5	Very high	95 Å²	95	51 Å²	51	47%	0.468	27%	0.265	S	S	.	.	H	α-helix	trans	-76.4	-32.2	-178.4	-63.9	-53.4	-62.1	0	0	112.2	D764 T767 K769 P770 T771 K776	D764-M774 HydrophobicContact CB-CG 4.35Å; T767-M774 HydrophobicContact CG2-CE 3.53Å; T767-M774 HydrophobicContact CG2-SD 3.93Å; T767-M774 PolarHBondContact OG1-SD 3.3Å; K769-M774 HydrophobicContact CB-CG 4.27Å; K769-M774 HydrophobicContact CB-SD 4.09Å; K769-M774 HydrophobicContact CD-SD 4.32Å; P770-M774 PolarHBondContact O-N 2.8Å; T771-M774 PolarHBondContact O-N 3.03Å; T771-M774 VanDerWaalsContact O-N 3.09Å; M774-K776 PolarHBondContact O-N 3.38Å
775	N	96.8	Very high	96.7	Very high	64 Å²	64	48.9 Å²	48.9	34%	0.342	25%	0.254	S	S	.	.	S	Bend	trans	-75.6	113	174.5	-175.9	-57.6	0	0	0	110.2	T771 T777 Q778 K779	T771-N775 WeakPolarHBondContact O-CB 3.41Å; T771-N775 PolarHBondContact O-N 2.64Å; N775-T777 VanDerWaalsContact C-N 3.3Å; N775-T777 PolarHBondContact O-N 3.46Å; N775-T777 WeakPolarHBondContact OD1-CB 3.45Å; N775-T777 PolarHBondContact OD1-N 3.48Å; N775-Q778 HydrophobicContact CB-CB 4.03Å; N775-Q778 HydrophobicContact CB-CG 4.08Å; N775-Q778 PolarHBondContact O-N 3.41Å; N775-Q778 PolarHBondContact OD1-N 3.05Å; N775-K779 WeakPolarHBondContact O-CB 3.12Å; N775-K779 PolarHBondContact O-N 2.85Å
776	K	96.4	Very high	97	Very high	137 Å²	137	43.8 Å²	43.8	60%	0.596	22%	0.221	S	C	*	.	H	α-helix	trans	-53.1	-45.1	-179.2	-177.9	-178	174.5	-60.5	0	112.7	M774 D780	M774-K776 PolarHBondContact O-N 3.38Å; K776-D780 WeakPolarHBondContact CG-OD2 3.43Å; K776-D780 IonicContact NZ-OD2 2.8Å; K776-D780 PolarHBondContact NZ-OD2 3.39Å; K776-D780 WeakPolarHBondContact O-CB 3.21Å; K776-D780 PolarHBondContact O-N 3.05Å
777	T	97	Very high	97.2	Very high	64 Å²	64	37 Å²	37	39%	0.393	18%	0.184	S	C	.	.	H	α-helix	trans	-68.7	-43.9	-176.3	-52.2	0	0	0	0	111.7	N775 D780 L781	N775-T777 VanDerWaalsContact C-N 3.3Å; N775-T777 PolarHBondContact O-N 3.46Å; N775-T777 WeakPolarHBondContact OD1-CB 3.45Å; N775-T777 PolarHBondContact OD1-N 3.48Å; T777-D780 PolarHBondContact O-N 3.05Å; T777-L781 HydrophobicContact CG2-CD1 4.31Å; T777-L781 WeakPolarHBondContact O-CG 3.33Å; T777-L781 PolarHBondContact O-N 2.69Å
778	Q	98	Very high	97.5	Very high	28 Å²	28	34.3 Å²	34.3	13%	0.131	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-46.5	177.2	-65.7	177.2	-29	0	0	110.9	Q752 V753 W772 N775 D780 L781 V782	Q752-Q778 PolarHBondContact O-NE2 3.38Å; V753-Q778 HydrophobicContact CG2-CB 3.95Å; V753-Q778 HydrophobicContact CG2-CG 4.02Å; W772-Q778 VanDerWaalsContact CA-OE1 3.24Å; W772-Q778 HydrophobicContact CB-CB 4.25Å; N775-Q778 HydrophobicContact CB-CB 4.03Å; N775-Q778 HydrophobicContact CB-CG 4.08Å; N775-Q778 PolarHBondContact O-N 3.41Å; N775-Q778 PolarHBondContact OD1-N 3.05Å; Q778-D780 PolarHBondContact O-N 2.85Å; Q778-L781 PolarHBondContact O-N 3.2Å; Q778-V782 WeakPolarHBondContact O-CG2 3.38Å; Q778-V782 PolarHBondContact O-N 3.19Å
779	K	98.3	Very high	97.7	Very high	17 Å²	17	26.1 Å²	26.1	7%	0.074	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-45	175	-179.3	165.7	63.3	170.9	0	112.3	L651 D652 D655 W772 V773 N775 L781 V782 M783	L651-K779 HydrophobicContact CD2-CD 3.89Å; L651-K779 HydrophobicContact CD2-CG 4.05Å; D652-K779 IonicContact OD2-NZ 3.9Å; D655-K779 WeakPolarHBondContact OD2-CD 3.38Å; D655-K779 VanDerWaalsContact OD2-CE 3.29Å; D655-K779 WeakPolarHBondContact OD2-CE 3.35Å; D655-K779 IonicContact OD2-NZ 2.8Å; D655-K779 PolarHBondContact OD2-NZ 3.46Å; W772-K779 PolarHBondContact O-N 3.25Å; W772-K779 VanDerWaalsContact O-N 3.13Å; V773-K779 HydrophobicContact CG1-CD 4.35Å; V773-K779 WeakPolarHBondContact O-CD 3.36Å; V773-K779 WeakPolarHBondContact O-CE 3.42Å; N775-K779 WeakPolarHBondContact O-CB 3.12Å; N775-K779 PolarHBondContact O-N 2.85Å; K779-L781 VanDerWaalsContact C-N 3.33Å; K779-L781 PolarHBondContact O-N 3.13Å; K779-V782 PolarHBondContact O-N 3.28Å; K779-M783 HydrophobicContact CG-CE 4.17Å; K779-M783 WeakPolarHBondContact O-CG 3.45Å; K779-M783 PolarHBondContact O-N 3.08Å
780	D	98.2	Very high	97.9	Very high	19 Å²	19	24.2 Å²	24.2	10%	0.102	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-42	177.9	-71.3	-21.4	0	0	0	111.6	R732 K776 T777 Q778 V784	R732-D780 IonicContact CZ-OD1 2.73Å; R732-D780 IonicContact CZ-OD2 2.74Å; R732-D780 IonicContact NE-OD1 2.76Å; R732-D780 IonicContact NH1-OD1 3.77Å; R732-D780 PolarHBondContact NH1-OD1 3.01Å; R732-D780 IonicContact NH1-OD2 2.71Å; R732-D780 PolarHBondContact NH1-OD2 3.34Å; R732-D780 IonicContact NH2-OD1 3.53Å; R732-D780 PolarHBondContact NH2-OD1 3.39Å; K776-D780 WeakPolarHBondContact CG-OD2 3.43Å; K776-D780 IonicContact NZ-OD2 2.8Å; K776-D780 PolarHBondContact NZ-OD2 3.39Å; K776-D780 WeakPolarHBondContact O-CB 3.21Å; K776-D780 PolarHBondContact O-N 3.05Å; T777-D780 PolarHBondContact O-N 3.05Å; Q778-D780 PolarHBondContact O-N 2.85Å; D780-V784 WeakPolarHBondContact O-CG2 3.27Å; D780-V784 PolarHBondContact O-N 3.06Å; D780-V784 VanDerWaalsContact O-N 3.11Å
781	L	98.4	Very high	98	Very high	22 Å²	22	25 Å²	25	12%	0.115	13%	0.127	C	C	.	.	H	α-helix	trans	-65.9	-44	175.4	-74.4	165.4	0	0	0	112	E748 F749 Q752 V753 T777 Q778 K779 M783 V784 I785	E748-L781 HydrophobicContact CB-CD2 4.26Å; E748-L781 HydrophobicContact CG-CD1 3.97Å; E748-L781 HydrophobicContact CG-CD2 3.87Å; F749-L781 HydrophobicContact CD2-CB 4.13Å; Q752-L781 HydrophobicContact CB-CD1 3.78Å; Q752-L781 HydrophobicContact CG-CD1 4.11Å; V753-L781 HydrophobicContact CG2-CB 4.49Å; V753-L781 HydrophobicContact CG2-CD1 4.47Å; T777-L781 HydrophobicContact CG2-CD1 4.31Å; T777-L781 WeakPolarHBondContact O-CG 3.33Å; T777-L781 PolarHBondContact O-N 2.69Å; Q778-L781 PolarHBondContact O-N 3.2Å; K779-L781 VanDerWaalsContact C-N 3.33Å; K779-L781 PolarHBondContact O-N 3.13Å; L781-M783 VanDerWaalsContact C-N 3.33Å; L781-M783 PolarHBondContact O-N 3.08Å; L781-V784 PolarHBondContact O-N 3.18Å; L781-I785 VanDerWaalsContact O-CG1 3.28Å; L781-I785 WeakPolarHBondContact O-CG1 3.24Å; L781-I785 PolarHBondContact O-N 3.16Å
782	V	98.5	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-45.6	176.6	172.4	0	0	0	0	110.9	F749 V753 W772 Q778 K779 V784 I785 I786 L860	F749-V782 HydrophobicContact CE2-CG2 3.7Å; V753-V782 HydrophobicContact CG1-CG2 4.42Å; W772-V782 HydrophobicContact CE3-CB 4.28Å; W772-V782 HydrophobicContact CE3-CG1 4.4Å; W772-V782 HydrophobicContact CE3-CG2 3.77Å; W772-V782 HydrophobicContact CH2-CG1 4.12Å; W772-V782 HydrophobicContact CZ3-CB 3.97Å; W772-V782 HydrophobicContact CZ3-CG1 3.71Å; W772-V782 HydrophobicContact CZ3-CG2 3.93Å; Q778-V782 WeakPolarHBondContact O-CG2 3.38Å; Q778-V782 PolarHBondContact O-N 3.19Å; K779-V782 PolarHBondContact O-N 3.28Å; V782-V784 PolarHBondContact O-N 3.08Å; V782-I785 PolarHBondContact O-N 3Å; V782-I786 HydrophobicContact CG1-CD1 3.75Å; V782-I786 HydrophobicContact CG1-CG1 4.42Å; V782-I786 VanDerWaalsContact O-CG1 3.31Å; V782-I786 WeakPolarHBondContact O-CG1 3.21Å; V782-I786 PolarHBondContact O-N 3.2Å; V782-L860 HydrophobicContact CG1-CD2 4.36Å; V782-L860 HydrophobicContact CG2-CD2 3.49Å; V782-L860 VanDerWaalsContact CG2-CD2 3.49Å
783	M	98.7	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.9	-40.8	177.7	-71.5	-171.4	-65.8	0	0	112.8	L651 D655 L659 K779 L781 I786 L787	L651-M783 HydrophobicContact CD1-CG 4.45Å; D655-M783 HydrophobicContact CB-SD 3.73Å; L659-M783 HydrophobicContact CD1-CG 4.45Å; L659-M783 HydrophobicContact CD2-CB 3.94Å; L659-M783 HydrophobicContact CD2-CG 4.26Å; L659-M783 WeakPolarHBondContact CD2-O 3.44Å; L659-M783 HydrophobicContact CG-CG 4.37Å; K779-M783 HydrophobicContact CG-CE 4.17Å; K779-M783 WeakPolarHBondContact O-CG 3.45Å; K779-M783 PolarHBondContact O-N 3.08Å; L781-M783 VanDerWaalsContact C-N 3.33Å; L781-M783 PolarHBondContact O-N 3.08Å; M783-I786 PolarHBondContact O-N 3.45Å; M783-L787 PolarHBondContact O-N 2.88Å; M783-L787 VanDerWaalsContact O-N 3.1Å
784	V	98.6	Very high	98.1	Very high	8 Å²	8	24.4 Å²	24.4	5%	0.048	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-45.8	173.6	162.3	0	0	0	0	110.9	R732 A736 I745 D780 L781 V782 I786 L787 K788	R732-V784 HydrophobicContact CG-CG2 4.11Å; A736-V784 HydrophobicContact CB-CB 4.28Å; A736-V784 HydrophobicContact CB-CG1 3.41Å; A736-V784 VanDerWaalsContact CB-CG1 3.41Å; A736-V784 HydrophobicContact CB-CG2 3.91Å; I745-V784 HydrophobicContact CD1-CG1 4.36Å; I745-V784 HydrophobicContact CG2-CG1 3.54Å; D780-V784 WeakPolarHBondContact O-CG2 3.27Å; D780-V784 PolarHBondContact O-N 3.06Å; D780-V784 VanDerWaalsContact O-N 3.11Å; L781-V784 PolarHBondContact O-N 3.18Å; V782-V784 PolarHBondContact O-N 3.08Å; V784-I786 PolarHBondContact O-N 3.01Å; V784-L787 PolarHBondContact O-N 3.19Å; V784-K788 HydrophobicContact CG1-CD 4.13Å; V784-K788 HydrophobicContact CG1-CG 4.37Å; V784-K788 WeakPolarHBondContact O-CG 3.26Å; V784-K788 PolarHBondContact O-N 2.91Å
785	I	98.7	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-43.3	178.5	-67.6	-70.2	0	0	0	111.1	I745 F749 L781 V782 L787 K788 I789 L853 L857	I745-I785 HydrophobicContact CG2-CD1 4.11Å; F749-I785 HydrophobicContact CB-CD1 3.94Å; F749-I785 HydrophobicContact CB-CG1 3.94Å; F749-I785 HydrophobicContact CD1-CD1 4.09Å; F749-I785 HydrophobicContact CD1-CG1 3.94Å; F749-I785 HydrophobicContact CD2-CG1 3.87Å; F749-I785 HydrophobicContact CE1-CG1 4.42Å; F749-I785 HydrophobicContact CE2-CG1 4.37Å; F749-I785 HydrophobicContact CG-CD1 4Å; F749-I785 HydrophobicContact CG-CG1 3.63Å; L781-I785 VanDerWaalsContact O-CG1 3.28Å; L781-I785 WeakPolarHBondContact O-CG1 3.24Å; L781-I785 PolarHBondContact O-N 3.16Å; V782-I785 PolarHBondContact O-N 3Å; I785-L787 PolarHBondContact O-N 3.38Å; I785-K788 PolarHBondContact O-N 2.99Å; I785-I789 HydrophobicContact CG2-CD1 3.69Å; I785-I789 HydrophobicContact CG2-CG1 4.29Å; I785-I789 WeakPolarHBondContact O-CB 3.46Å; I785-I789 VanDerWaalsContact O-CG1 3.24Å; I785-I789 WeakPolarHBondContact O-CG1 3.24Å; I785-I789 PolarHBondContact O-N 3.49Å; I785-L853 HydrophobicContact CD1-CD1 3.53Å; I785-L853 HydrophobicContact CG2-CD1 4.16Å; I785-L857 HydrophobicContact CG2-CB 4Å; I785-L857 HydrophobicContact CG2-CD1 4.24Å
786	I	98.8	Very high	98.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.3	-46.4	176.5	-70.4	160.3	0	0	0	111.2	L641 L647 L659 V782 M783 V784 I789 S790 L857	L641-I786 HydrophobicContact CB-CG2 4.33Å; L641-I786 HydrophobicContact CD1-CG2 4.04Å; L647-I786 HydrophobicContact CD1-CD1 3.38Å; L647-I786 HydrophobicContact CD1-CG1 4.37Å; L659-I786 HydrophobicContact CD1-CD1 4.39Å; L659-I786 HydrophobicContact CD1-CG2 4.34Å; L659-I786 HydrophobicContact CD2-CB 4.25Å; L659-I786 HydrophobicContact CD2-CG2 4.06Å; V782-I786 HydrophobicContact CG1-CD1 3.75Å; V782-I786 HydrophobicContact CG1-CG1 4.42Å; V782-I786 VanDerWaalsContact O-CG1 3.31Å; V782-I786 WeakPolarHBondContact O-CG1 3.21Å; V782-I786 PolarHBondContact O-N 3.2Å; M783-I786 PolarHBondContact O-N 3.45Å; V784-I786 PolarHBondContact O-N 3.01Å; I786-I789 PolarHBondContact O-N 3.14Å; I786-S790 WeakPolarHBondContact O-CB 3.25Å; I786-S790 PolarHBondContact O-N 3.13Å; I786-S790 PolarHBondContact O-OG 3.26Å; I786-L857 HydrophobicContact CG1-CD1 4.46Å; I786-L857 HydrophobicContact CG1-CD2 4.12Å
787	L	98.8	Very high	98.2	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-65.4	-46	178.3	-180	61	0	0	0	111.3	V634 A663 C733 T737 M783 V784 I785 I789 S790 D791	V634-L787 HydrophobicContact CG1-CD1 3.93Å; A663-L787 HydrophobicContact CB-CD1 3.86Å; C733-L787 HydrophobicContact CB-CD2 3.64Å; C733-L787 WeakPolarHBondContact O-CD2 3.3Å; T737-L787 HydrophobicContact CG2-CD2 3.89Å; T737-L787 HydrophobicContact CG2-CG 4.08Å; M783-L787 PolarHBondContact O-N 2.88Å; M783-L787 VanDerWaalsContact O-N 3.1Å; V784-L787 PolarHBondContact O-N 3.19Å; I785-L787 PolarHBondContact O-N 3.38Å; L787-I789 VanDerWaalsContact C-N 3.3Å; L787-I789 PolarHBondContact O-N 3.32Å; L787-S790 WeakPolarHBondContact O-CB 3.42Å; L787-S790 PolarHBondContact O-N 2.92Å; L787-S790 VanDerWaalsContact O-N 3.1Å; L787-D791 WeakPolarHBondContact O-CB 3.32Å; L787-D791 PolarHBondContact O-N 3.27Å
788	K	98.7	Very high	98.2	Very high	3 Å²	3	9.8 Å²	9.8	1%	0.013	5%	0.052	C	C	.	.	H	α-helix	trans	-60	-40.6	177.6	-70.6	-171.6	74.6	60.5	0	112.3	A736 T737 I745 V784 I785 S790 D791 I792 L853	A736-K788 VanDerWaalsContact O-CD 3.29Å; A736-K788 WeakPolarHBondContact O-CD 3.36Å; A736-K788 PolarHBondContact O-NZ 3.26Å; T737-K788 PolarHBondContact O-NZ 3.35Å; I745-K788 HydrophobicContact CD1-CD 4.19Å; I745-K788 HydrophobicContact CG2-CD 4.12Å; V784-K788 HydrophobicContact CG1-CD 4.13Å; V784-K788 HydrophobicContact CG1-CG 4.37Å; V784-K788 WeakPolarHBondContact O-CG 3.26Å; V784-K788 PolarHBondContact O-N 2.91Å; I785-K788 PolarHBondContact O-N 2.99Å; K788-S790 VanDerWaalsContact C-N 3.33Å; K788-D791 PolarHBondContact O-N 2.95Å; K788-I792 WeakPolarHBondContact O-CG1 3.31Å; K788-I792 PolarHBondContact O-N 2.7Å; K788-L853 HydrophobicContact CB-CD2 4.05Å
789	I	98.8	Very high	98	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.5	-47.7	174.8	-75.6	174.6	0	0	0	109.9	L641 I785 I786 L787 D791 I792 S793 L853 F854 L857 I868	L641-I789 HydrophobicContact CD1-CB 4.43Å; L641-I789 HydrophobicContact CD1-CG2 3.81Å; I785-I789 HydrophobicContact CG2-CD1 3.69Å; I785-I789 HydrophobicContact CG2-CG1 4.29Å; I785-I789 WeakPolarHBondContact O-CB 3.46Å; I785-I789 VanDerWaalsContact O-CG1 3.24Å; I785-I789 WeakPolarHBondContact O-CG1 3.24Å; I785-I789 PolarHBondContact O-N 3.49Å; I786-I789 PolarHBondContact O-N 3.14Å; L787-I789 VanDerWaalsContact C-N 3.3Å; L787-I789 PolarHBondContact O-N 3.32Å; I789-D791 VanDerWaalsContact C-N 3.32Å; I789-D791 PolarHBondContact O-N 3.33Å; I789-I792 CarbonylContact O-C 3.55Å; I789-I792 PolarHBondContact O-N 3.21Å; I789-S793 WeakPolarHBondContact O-CA 3.31Å; I789-S793 WeakPolarHBondContact O-CB 3.35Å; I789-S793 PolarHBondContact O-N 2.84Å; I789-L853 HydrophobicContact CD1-CG 4.23Å; I789-L853 HydrophobicContact CG1-CD1 4.43Å; I789-L853 HydrophobicContact CG1-CD2 3.62Å; I789-L853 HydrophobicContact CG1-CG 3.6Å; I789-F854 HydrophobicContact CB-CD1 4.27Å; I789-F854 HydrophobicContact CB-CE1 3.98Å; I789-F854 HydrophobicContact CD1-CD1 4.18Å; I789-F854 HydrophobicContact CG1-CD1 3.69Å; I789-F854 HydrophobicContact CG1-CE1 3.86Å; I789-F854 HydrophobicContact CG2-CD1 3.94Å; I789-F854 HydrophobicContact CG2-CE1 3.61Å; I789-F854 HydrophobicContact CG2-CZ 4.13Å; I789-L857 HydrophobicContact CD1-CB 3.45Å; I789-L857 VanDerWaalsContact CD1-CB 3.45Å; I789-L857 HydrophobicContact CD1-CD2 3.43Å; I789-L857 VanDerWaalsContact CD1-CD2 3.43Å; I789-L857 HydrophobicContact CD1-CG 4.04Å; I789-I868 HydrophobicContact CD1-CD1 4Å; I789-I868 HydrophobicContact CG2-CD1 3.8Å; I789-I868 HydrophobicContact CG2-CG2 4.34Å
790	S	98.8	Very high	97.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-40.4	-178.1	-59.4	0	0	0	0	112.5	V634 C638 I786 L787 K788 S793	V634-S790 WeakPolarHBondContact O-CB 3.47Å; C638-S790 WeakPolarHBondContact CA-OG 3.45Å; C638-S790 PolarHBondContact N-OG 3.39Å; C638-S790 WeakPolarHBondContact SG-CB 3.24Å; C638-S790 PolarHBondContact SG-OG 3.42Å; I786-S790 WeakPolarHBondContact O-CB 3.25Å; I786-S790 PolarHBondContact O-N 3.13Å; I786-S790 PolarHBondContact O-OG 3.26Å; L787-S790 WeakPolarHBondContact O-CB 3.42Å; L787-S790 PolarHBondContact O-N 2.92Å; L787-S790 VanDerWaalsContact O-N 3.1Å; K788-S790 VanDerWaalsContact C-N 3.33Å; S790-S793 WeakPolarHBondContact O-CB 3.34Å; S790-S793 PolarHBondContact O-N 3.21Å; S790-S793 PolarHBondContact O-OG 3.48Å
791	D	98.8	Very high	97.9	Very high	19 Å²	19	14.7 Å²	14.7	10%	0.102	8%	0.08	C	C	.	.	H	α-helix	trans	-57.2	-51.7	176.4	-179	5.6	0	0	0	111.4	H630 V634 H666 L787 K788 I789 S793	H630-D791 IonicContact CE1-OD1 2.86Å; H630-D791 PolarHBondContact CE1-OD1 2.91Å; H630-D791 IonicContact NE2-OD1 2.72Å; V634-D791 HydrophobicContact CG1-CB 4.38Å; H666-D791 IonicContact NE2-OD1 3.5Å; L787-D791 WeakPolarHBondContact O-CB 3.32Å; L787-D791 PolarHBondContact O-N 3.27Å; K788-D791 PolarHBondContact O-N 2.95Å; I789-D791 VanDerWaalsContact C-N 3.32Å; I789-D791 PolarHBondContact O-N 3.33Å; D791-S793 PolarHBondContact O-N 3.44Å
792	I	98.3	Very high	97.8	Very high	19 Å²	19	13.6 Å²	13.6	10%	0.097	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	20.9	-178	73.5	-177.2	0	0	0	114.1	M739 K788 I789 N794 F845 V849 I850 L853 F854	M739-I792 HydrophobicContact SD-CG2 4.43Å; K788-I792 WeakPolarHBondContact O-CG1 3.31Å; K788-I792 PolarHBondContact O-N 2.7Å; I789-I792 CarbonylContact O-C 3.55Å; I789-I792 PolarHBondContact O-N 3.21Å; I792-N794 VanDerWaalsContact C-N 3.31Å; I792-N794 PolarHBondContact O-N 2.86Å; I792-F845 HydrophobicContact CB-CE1 4.37Å; I792-F845 HydrophobicContact CB-CZ 4.19Å; I792-F845 HydrophobicContact CD1-CZ 4.42Å; I792-F845 HydrophobicContact CG2-CZ 4.18Å; I792-V849 HydrophobicContact CD1-CG1 4.01Å; I792-I850 HydrophobicContact CD1-CG1 4.23Å; I792-I850 HydrophobicContact CG1-CG1 4.44Å; I792-L853 HydrophobicContact CD1-CD2 3.75Å; I792-L853 HydrophobicContact CG1-CD2 4.36Å; I792-F854 HydrophobicContact CG1-CE1 4.24Å
793	S	98.2	Very high	97.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.007	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-80.1	3	-170.5	66.7	0	0	0	0	116.4	M637 I789 S790 D791 E795 A796	M637-S793 WeakPolarHBondContact CG-OG 3.29Å; I789-S793 WeakPolarHBondContact O-CA 3.31Å; I789-S793 WeakPolarHBondContact O-CB 3.35Å; I789-S793 PolarHBondContact O-N 2.84Å; S790-S793 WeakPolarHBondContact O-CB 3.34Å; S790-S793 PolarHBondContact O-N 3.21Å; S790-S793 PolarHBondContact O-OG 3.48Å; D791-S793 PolarHBondContact O-N 3.44Å; S793-E795 PolarHBondContact O-N 3.12Å; S793-A796 WeakPolarHBondContact O-CA 3.47Å; S793-A796 WeakPolarHBondContact O-CB 3.34Å; S793-A796 PolarHBondContact O-N 3.29Å
794	N	97.7	Very high	97.6	Very high	15 Å²	15	16.3 Å²	16.3	8%	0.08	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-56.3	-39	-175	-72.4	-39	0	0	0	112.7	F625 I792 A796 R797 A802 W805	F625-N794 WeakPolarHBondContact CZ-ND2 3.48Å; I792-N794 VanDerWaalsContact C-N 3.31Å; I792-N794 PolarHBondContact O-N 2.86Å; N794-A796 PolarHBondContact O-N 3.29Å; N794-R797 WeakPolarHBondContact O-CB 3.43Å; N794-R797 PolarHBondContact O-N 3.16Å; N794-A802 WeakPolarHBondContact O-CB 3.45Å; N794-W805 HydrophobicContact CB-CB 4.23Å; N794-W805 HydrophobicContact CB-CG 4.44Å
795	E	96.6	Very high	97.6	Very high	7 Å²	7	16 Å²	16	3%	0.033	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-80.4	1.8	178.6	-62	-62	165.9	0	0	113.7	S793 R797 Q842 I846 I850 A872 Q875 Y879	S793-E795 PolarHBondContact O-N 3.12Å; E795-R797 VanDerWaalsContact C-N 3.29Å; E795-Q842 PolarHBondContact OE1-OE1 2.9Å; E795-I846 HydrophobicContact CB-CD1 4.18Å; E795-I846 HydrophobicContact CB-CG1 4.1Å; E795-I846 HydrophobicContact CG-CD1 4.04Å; E795-I846 HydrophobicContact CG-CG1 4.04Å; E795-I850 HydrophobicContact CB-CD1 3.9Å; E795-I850 HydrophobicContact CG-CD1 4.15Å; E795-A872 WeakPolarHBondContact O-CA 3.38Å; E795-Q875 HydrophobicContact CB-CB 4.41Å; E795-Q875 HydrophobicContact CB-CG 4.48Å; E795-Q875 WeakPolarHBondContact O-CG 3.26Å; E795-Y879 PolarHBondContact OE1-OH 3.26Å; E795-Y879 VanDerWaalsContact OE1-OH 3.05Å; E795-Y879 WeakPolarHBondContact OE2-CE2 3.39Å
796	A	96.8	Very high	97.4	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.008	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-89.1	6.8	163.9	0	0	0	0	0	113	M637 S793 N794 F854 I868 P871	M637-A796 HydrophobicContact CE-CB 4.43Å; S793-A796 WeakPolarHBondContact O-CA 3.47Å; S793-A796 WeakPolarHBondContact O-CB 3.34Å; S793-A796 PolarHBondContact O-N 3.29Å; N794-A796 PolarHBondContact O-N 3.29Å; A796-F854 HydrophobicContact CB-CE2 3.93Å; A796-I868 HydrophobicContact CB-CB 4.29Å; A796-I868 HydrophobicContact CB-CG2 4.35Å; A796-P871 WeakPolarHBondContact O-CB 3.24Å
797	R	97.5	Very high	97.3	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.008	12%	0.116	C	C	.	.	S	Bend	trans	-111.5	157.5	-176.8	-55.9	-177.7	176.5	-89.4	11.5	110.6	S573 M633 Q636 M637 N794 E795 V801	S573-R797 PolarHBondContact O-NH1 3.5Å; S573-R797 VanDerWaalsContact O-NH1 3.09Å; M633-R797 VanDerWaalsContact CE-CD 3.4Å; M633-R797 VanDerWaalsContact CE-NE 3.29Å; M633-R797 PolarHBondContact O-NH2 2.71Å; Q636-R797 VanDerWaalsContact OE1-CZ 3.28Å; M637-R797 HydrophobicContact CE-CG 4.42Å; N794-R797 WeakPolarHBondContact O-CB 3.43Å; N794-R797 PolarHBondContact O-N 3.16Å; E795-R797 VanDerWaalsContact C-N 3.29Å; R797-V801 HydrophobicContact CB-CB 4.26Å; R797-V801 HydrophobicContact CB-CG1 4.25Å
798	P	96.5	Very high	97.2	Very high	43 Å²	43	25 Å²	25	28%	0.279	13%	0.133	S	C	.	.			trans	-51.5	145.6	174.5	-29.4	37.2	0	0	0	112.8	T574 N800 V801 A802	T574-P798 HydrophobicContact CG2-CG 3.78Å; P798-N800 WeakPolarHBondContact CB-OD1 3.3Å; P798-N800 PolarHBondContact O-N 3.01Å; P798-N800 VanDerWaalsContact O-N 3.11Å; P798-V801 WeakPolarHBondContact O-CA 3.48Å; P798-V801 WeakPolarHBondContact O-CB 3.49Å; P798-V801 PolarHBondContact O-N 3.32Å; P798-A802 PolarHBondContact O-N 3Å
799	L	95	Very high	97.1	Very high	61 Å²	61	26.2 Å²	26.2	32%	0.319	14%	0.139	S	C	.	.	H	α-helix	trans	-56.3	-32.7	-173.7	-178.2	66.5	0	0	0	114	V801 G803 Y878	L799-V801 PolarHBondContact O-N 3.31Å; L799-G803 WeakPolarHBondContact O-CA 3.38Å; L799-G803 PolarHBondContact O-N 3.16Å; L799-Y878 HydrophobicContact CD1-CD1 3.87Å; L799-Y878 HydrophobicContact CD1-CE1 3.58Å; L799-Y878 HydrophobicContact CD2-CD1 4.35Å; L799-Y878 HydrophobicContact CD2-CD2 4.05Å; L799-Y878 HydrophobicContact CD2-CE1 3.95Å; L799-Y878 HydrophobicContact CD2-CE2 3.61Å; L799-Y878 HydrophobicContact CD2-CG 4.4Å; L799-Y878 HydrophobicContact CG-CE1 4.44Å
800	N	95.7	Very high	97	Very high	105 Å²	105	26.9 Å²	26.9	56%	0.561	14%	0.143	S	C	*	.	H	α-helix	trans	-68	-19.7	175.6	64.6	-39.8	0	0	0	113.2	P798 P804	P798-N800 WeakPolarHBondContact CB-OD1 3.3Å; P798-N800 PolarHBondContact O-N 3.01Å; P798-N800 VanDerWaalsContact O-N 3.11Å; N800-P804 WeakPolarHBondContact O-CD 3.39Å
801	V	97.3	Very high	96.9	Very high	1 Å²	1	29 Å²	29	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-95.2	-46.7	173.9	-177	0	0	0	0	110.7	N576 W578 M633 R797 P798 L799 P804 W805	N576-V801 HydrophobicContact CB-CG2 3.93Å; W578-V801 PolarHBondContact NE1-O 3.45Å; M633-V801 HydrophobicContact CE-CG1 3.78Å; R797-V801 HydrophobicContact CB-CB 4.26Å; R797-V801 HydrophobicContact CB-CG1 4.25Å; P798-V801 WeakPolarHBondContact O-CA 3.48Å; P798-V801 WeakPolarHBondContact O-CB 3.49Å; P798-V801 PolarHBondContact O-N 3.32Å; L799-V801 PolarHBondContact O-N 3.31Å; V801-P804 WeakPolarHBondContact O-CD 3.43Å; V801-W805 VanDerWaalsContact O-CD1 3.26Å
802	A	97	Very high	96.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.2	-40.5	-178.5	0	0	0	0	0	113.2	N794 P798 W805 I806	N794-A802 WeakPolarHBondContact O-CB 3.45Å; P798-A802 PolarHBondContact O-N 3Å; A802-W805 WeakPolarHBondContact O-CB 3.4Å; A802-W805 PolarHBondContact O-N 3.26Å; A802-I806 PolarHBondContact O-N 3.41Å
803	G	95.3	Very high	96.8	Very high	10 Å²	10	29.3 Å²	29.3	10%	0.103	16%	0.16	C	C	.	.	H	α-helix	trans	-58.2	-40.2	-174.3	0	0	0	0	0	115.4	L799 I806 K838	L799-G803 WeakPolarHBondContact O-CA 3.38Å; L799-G803 PolarHBondContact O-N 3.16Å; G803-I806 WeakPolarHBondContact O-CG2 3.48Å; G803-K838 PolarHBondContact O-NZ 3.4Å
804	P	97.3	Very high	96.7	Very high	46 Å²	46	30.4 Å²	30.4	30%	0.299	17%	0.165	S	C	.	.	H	α-helix	trans	-68.1	-31.2	171.2	-25.5	35.3	0	0	0	114.5	W578 N800 V801 N807 R808	W578-P804 HydrophobicContact CD2-CB 4.43Å; W578-P804 HydrophobicContact CH2-CB 4.4Å; W578-P804 HydrophobicContact CZ2-CB 3.65Å; W578-P804 HydrophobicContact CZ2-CG 4.49Å; N800-P804 WeakPolarHBondContact O-CD 3.39Å; V801-P804 WeakPolarHBondContact O-CD 3.43Å; P804-N807 PolarHBondContact O-N 2.85Å; P804-R808 WeakPolarHBondContact O-CG 3.36Å; P804-R808 PolarHBondContact O-N 3.13Å
805	W	98	Very high	96.6	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-43.2	178.7	-82.3	118	0	0	0	112.4	N577 W578 F625 K629 H630 M633 N794 V801 A802 N807 R808 L809	N577-W805 WeakPolarHBondContact ND2-CZ2 3.36Å; W578-W805 AromaticContact CH2-CD2 3.88Å; W578-W805 HydrophobicContact CH2-CD2 3.88Å; W578-W805 AromaticContact CH2-CE2 3.65Å; W578-W805 HydrophobicContact CH2-CE3 4.25Å; W578-W805 HydrophobicContact CH2-CG 4.37Å; W578-W805 HydrophobicContact CH2-CH2 4.18Å; W578-W805 AromaticContact CH2-CZ2 3.84Å; W578-W805 HydrophobicContact CH2-CZ2 3.84Å; W578-W805 HydrophobicContact CH2-CZ3 4.39Å; W578-W805 AromaticContact CZ2-CD1 3.61Å; W578-W805 AromaticContact CZ2-CD2 3.77Å; W578-W805 HydrophobicContact CZ2-CD2 3.77Å; W578-W805 AromaticContact CZ2-CE2 3.55Å; W578-W805 AromaticContact CZ2-CG 3.8Å; W578-W805 HydrophobicContact CZ2-CG 3.8Å; W578-W805 HydrophobicContact CZ2-CZ2 4.16Å; W578-W805 AromaticContact CZ2-NE1 3.42Å; F625-W805 AromaticContact CD2-CE3 3.77Å; F625-W805 HydrophobicContact CD2-CE3 3.77Å; F625-W805 HydrophobicContact CD2-CZ3 4.25Å; F625-W805 AromaticContact CE2-CE3 3.84Å; F625-W805 HydrophobicContact CE2-CE3 3.84Å; K629-W805 HydrophobicContact CB-CH2 3.89Å; K629-W805 HydrophobicContact CB-CZ2 4.13Å; H630-W805 HydrophobicContact CB-CH2 3.74Å; H630-W805 HydrophobicContact CB-CZ3 3.94Å; M633-W805 HydrophobicContact CG-CZ2 3.91Å; N794-W805 HydrophobicContact CB-CB 4.23Å; N794-W805 HydrophobicContact CB-CG 4.44Å; V801-W805 VanDerWaalsContact O-CD1 3.26Å; A802-W805 WeakPolarHBondContact O-CB 3.4Å; A802-W805 PolarHBondContact O-N 3.26Å; W805-N807 VanDerWaalsContact C-N 3.32Å; W805-N807 PolarHBondContact O-N 3.03Å; W805-R808 WeakPolarHBondContact O-CB 3.39Å; W805-R808 PolarHBondContact O-N 2.79Å; W805-R808 VanDerWaalsContact O-N 3.13Å; W805-L809 PolarHBondContact O-N 3.13Å
806	I	95.9	Very high	96.6	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-64.2	-36.7	176.5	176.3	56.1	0	0	0	112.4	A802 G803 R808 L809 L810 K838 Q842	A802-I806 PolarHBondContact O-N 3.41Å; G803-I806 WeakPolarHBondContact O-CG2 3.48Å; I806-R808 VanDerWaalsContact C-N 3.26Å; I806-R808 PolarHBondContact O-N 3Å; I806-L809 HydrophobicContact CD1-CB 4.4Å; I806-L809 HydrophobicContact CD1-CD2 4.12Å; I806-L809 PolarHBondContact O-N 3.4Å; I806-L810 HydrophobicContact CD1-CD1 4.17Å; I806-L810 HydrophobicContact CD1-CD2 4.36Å; I806-L810 HydrophobicContact CD1-CG 3.87Å; I806-L810 HydrophobicContact CG1-CD1 4.26Å; I806-L810 HydrophobicContact CG1-CG 4.41Å; I806-L810 WeakPolarHBondContact O-CB 3.34Å; I806-L810 WeakPolarHBondContact O-CG 3.49Å; I806-L810 PolarHBondContact O-N 3.42Å; I806-K838 HydrophobicContact CG1-CD 4.38Å; I806-K838 HydrophobicContact CG1-CG 3.94Å; I806-K838 HydrophobicContact CG2-CD 4.3Å; I806-K838 VanDerWaalsContact CG2-NZ 3.33Å; I806-Q842 HydrophobicContact CD1-CG 4.03Å; I806-Q842 HydrophobicContact CG1-CG 3.91Å
807	N	95.6	Very high	96.6	Very high	90 Å²	90	32.6 Å²	32.6	48%	0.481	18%	0.175	S	C	.	.	H	α-helix	trans	-63.1	-37.4	174.9	-64.4	-12.5	0	0	0	111.3	P804 W805 A811 K838	P804-N807 PolarHBondContact O-N 2.85Å; W805-N807 VanDerWaalsContact C-N 3.32Å; W805-N807 PolarHBondContact O-N 3.03Å; N807-A811 WeakPolarHBondContact O-CB 3.35Å; N807-A811 PolarHBondContact O-N 3.18Å; N807-K838 PolarHBondContact OD1-NZ 3.46Å
808	R	97.7	Very high	96.5	Very high	96 Å²	96	35.1 Å²	35.1	36%	0.362	19%	0.188	S	C	.	.	H	α-helix	trans	-68.7	-43.3	175.5	-73.3	172.3	177.9	-72.7	-4.4	112.5	P624 F625 P804 W805 I806 A811 E812	P624-R808 WeakPolarHBondContact CB-O 3.43Å; P624-R808 VanDerWaalsContact O-CB 3.32Å; P624-R808 WeakPolarHBondContact O-CB 3.45Å; P624-R808 WeakPolarHBondContact O-CD 3.32Å; P624-R808 WeakPolarHBondContact O-CG 3.43Å; P624-R808 PolarHBondContact O-NH1 3.22Å; F625-R808 HydrophobicContact CB-CB 4.5Å; F625-R808 HydrophobicContact CD2-CB 4.46Å; P804-R808 WeakPolarHBondContact O-CG 3.36Å; P804-R808 PolarHBondContact O-N 3.13Å; W805-R808 WeakPolarHBondContact O-CB 3.39Å; W805-R808 PolarHBondContact O-N 2.79Å; W805-R808 VanDerWaalsContact O-N 3.13Å; I806-R808 VanDerWaalsContact C-N 3.26Å; I806-R808 PolarHBondContact O-N 3Å; R808-A811 PolarHBondContact O-N 3.41Å; R808-E812 PolarHBondContact O-N 3.38Å
809	L	97.2	Very high	96.4	Very high	29 Å²	29	36.1 Å²	36.1	15%	0.152	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-50.7	175.5	-178.7	63.3	0	0	0	110.6	F625 W805 I806 A811 E812 F813	F625-L809 HydrophobicContact CD1-CD1 4.19Å; F625-L809 HydrophobicContact CD2-CB 3.59Å; F625-L809 HydrophobicContact CD2-CD1 3.99Å; F625-L809 HydrophobicContact CD2-CG 4.37Å; F625-L809 HydrophobicContact CE1-CD1 4.34Å; F625-L809 HydrophobicContact CE2-CB 3.91Å; F625-L809 HydrophobicContact CE2-CD1 4.14Å; F625-L809 HydrophobicContact CE2-CG 4.47Å; F625-L809 HydrophobicContact CG-CB 4.28Å; F625-L809 HydrophobicContact CG-CD1 4.01Å; F625-L809 HydrophobicContact CZ-CD1 4.31Å; W805-L809 PolarHBondContact O-N 3.13Å; I806-L809 HydrophobicContact CD1-CB 4.4Å; I806-L809 HydrophobicContact CD1-CD2 4.12Å; I806-L809 PolarHBondContact O-N 3.4Å; L809-A811 VanDerWaalsContact C-N 3.34Å; L809-A811 PolarHBondContact O-N 2.9Å; L809-E812 PolarHBondContact O-N 3.25Å; L809-F813 HydrophobicContact CD1-CD1 4.08Å; L809-F813 HydrophobicContact CD1-CE1 3.61Å; L809-F813 HydrophobicContact CD1-CE2 4.11Å; L809-F813 HydrophobicContact CD1-CZ 3.63Å; L809-F813 HydrophobicContact CD2-CE2 4.46Å; L809-F813 HydrophobicContact CG-CD2 4.38Å; L809-F813 HydrophobicContact CG-CE1 4.42Å; L809-F813 HydrophobicContact CG-CE2 4.17Å; L809-F813 HydrophobicContact CG-CZ 4.2Å; L809-F813 WeakPolarHBondContact O-CB 3.35Å; L809-F813 PolarHBondContact O-N 2.89Å
810	L	96.3	Very high	96.5	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-39.2	177.8	-68.1	178.5	0	0	0	111.9	I806 E812 F813 F814 V836 K838	I806-L810 HydrophobicContact CD1-CD1 4.17Å; I806-L810 HydrophobicContact CD1-CD2 4.36Å; I806-L810 HydrophobicContact CD1-CG 3.87Å; I806-L810 HydrophobicContact CG1-CD1 4.26Å; I806-L810 HydrophobicContact CG1-CG 4.41Å; I806-L810 WeakPolarHBondContact O-CB 3.34Å; I806-L810 WeakPolarHBondContact O-CG 3.49Å; I806-L810 PolarHBondContact O-N 3.42Å; L810-E812 VanDerWaalsContact C-N 3.31Å; L810-E812 PolarHBondContact O-N 3.42Å; L810-F813 PolarHBondContact O-N 3.03Å; L810-F814 HydrophobicContact CB-CD2 4.28Å; L810-F814 HydrophobicContact CB-CE1 4.49Å; L810-F814 HydrophobicContact CB-CE2 3.81Å; L810-F814 HydrophobicContact CB-CZ 3.94Å; L810-F814 HydrophobicContact CD1-CZ 4.39Å; L810-F814 HydrophobicContact CD2-CE1 4.13Å; L810-F814 HydrophobicContact CD2-CZ 3.94Å; L810-F814 HydrophobicContact CG-CZ 4.3Å; L810-F814 WeakPolarHBondContact O-CB 3.36Å; L810-F814 WeakPolarHBondContact O-CD1 3.37Å; L810-F814 WeakPolarHBondContact O-CD2 3.46Å; L810-F814 WeakPolarHBondContact O-CG 3.5Å; L810-F814 PolarHBondContact O-N 3.3Å; L810-V836 HydrophobicContact CD2-CG1 3.72Å; L810-K838 HydrophobicContact CD1-CB 4.2Å
811	A	96.6	Very high	96.5	Very high	45 Å²	45	32.1 Å²	32.1	37%	0.372	16%	0.162	S	C	.	.	H	α-helix	trans	-59.9	-42.1	176	0	0	0	0	0	112.2	P624 N807 R808 L809 H815	P624-A811 HydrophobicContact CB-CB 4.13Å; P624-A811 HydrophobicContact CG-CB 4.43Å; N807-A811 WeakPolarHBondContact O-CB 3.35Å; N807-A811 PolarHBondContact O-N 3.18Å; R808-A811 PolarHBondContact O-N 3.41Å; L809-A811 VanDerWaalsContact C-N 3.34Å; L809-A811 PolarHBondContact O-N 2.9Å; A811-H815 WeakPolarHBondContact O-CB 3.35Å; A811-H815 PolarHBondContact O-N 3.35Å
812	E	97.4	Very high	96.4	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.028	20%	0.196	C	C	.	.	H	α-helix	trans	-69.7	-46.5	177.1	-163.4	166.8	127.4	0	0	112.2	V623 P624 F625 H626 H670 G672 R808 L809 L810 F814 H815 Q816	V623-E812 WeakPolarHBondContact CB-OE2 3.31Å; V623-E812 WeakPolarHBondContact CG2-OE2 3.44Å; P624-E812 HydrophobicContact CB-CB 4.13Å; P624-E812 WeakPolarHBondContact CD-OE2 3.31Å; P624-E812 HydrophobicContact CG-CB 4.18Å; F625-E812 WeakPolarHBondContact CA-OE2 3.27Å; F625-E812 HydrophobicContact CB-CB 4.34Å; F625-E812 WeakPolarHBondContact CB-OE2 3.48Å; F625-E812 PolarHBondContact N-OE2 3.49Å; H626-E812 IonicContact CE1-OE1 2.84Å; H626-E812 PolarHBondContact CE1-OE1 3.35Å; H626-E812 IonicContact CG-OE1 3.03Å; H626-E812 PolarHBondContact N-OE2 3.28Å; H626-E812 IonicContact ND1-OE1 3.48Å; H626-E812 PolarHBondContact ND1-OE1 3.18Å; H626-E812 IonicContact ND1-OE2 3.71Å; H670-E812 IonicContact CE1-OE1 3.39Å; H670-E812 IonicContact ND1-OE1 3.51Å; G672-E812 VanDerWaalsContact CA-OE1 3.32Å; G672-E812 WeakPolarHBondContact CA-OE1 3.41Å; G672-E812 WeakPolarHBondContact O-CG 3.34Å; R808-E812 PolarHBondContact O-N 3.38Å; L809-E812 PolarHBondContact O-N 3.25Å; L810-E812 VanDerWaalsContact C-N 3.31Å; L810-E812 PolarHBondContact O-N 3.42Å; E812-F814 VanDerWaalsContact C-N 3.32Å; E812-F814 PolarHBondContact O-N 3.45Å; E812-H815 WeakPolarHBondContact O-CB 3.32Å; E812-H815 PolarHBondContact O-N 3.32Å; E812-Q816 PolarHBondContact O-N 3.03Å
813	F	96.8	Very high	96.2	Very high	38 Å²	38	41.9 Å²	41.9	17%	0.167	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-43.2	176.5	-79.8	8	0	0	0	112.2	L809 L810 Q816 S817 F830 M831	L809-F813 HydrophobicContact CD1-CD1 4.08Å; L809-F813 HydrophobicContact CD1-CE1 3.61Å; L809-F813 HydrophobicContact CD1-CE2 4.11Å; L809-F813 HydrophobicContact CD1-CZ 3.63Å; L809-F813 HydrophobicContact CD2-CE2 4.46Å; L809-F813 HydrophobicContact CG-CD2 4.38Å; L809-F813 HydrophobicContact CG-CE1 4.42Å; L809-F813 HydrophobicContact CG-CE2 4.17Å; L809-F813 HydrophobicContact CG-CZ 4.2Å; L809-F813 WeakPolarHBondContact O-CB 3.35Å; L809-F813 PolarHBondContact O-N 2.89Å; L810-F813 PolarHBondContact O-N 3.03Å; F813-Q816 PolarHBondContact O-N 3.18Å; F813-S817 WeakPolarHBondContact O-CB 3.29Å; F813-S817 PolarHBondContact O-N 3.46Å; F813-F830 HydrophobicContact CE2-CD2 4.2Å; F813-F830 HydrophobicContact CE2-CE2 4.06Å; F813-M831 HydrophobicContact CB-CB 4.15Å; F813-M831 HydrophobicContact CB-CE 3.94Å; F813-M831 HydrophobicContact CB-CG 4.2Å; F813-M831 HydrophobicContact CD1-CE 3.69Å; F813-M831 HydrophobicContact CD2-CB 4.45Å; F813-M831 HydrophobicContact CD2-CE 4.5Å; F813-M831 HydrophobicContact CD2-CG 3.78Å; F813-M831 HydrophobicContact CE1-CE 4.28Å; F813-M831 HydrophobicContact CE2-CG 4.24Å; F813-M831 HydrophobicContact CG-CB 4.46Å; F813-M831 HydrophobicContact CG-CE 3.8Å; F813-M831 HydrophobicContact CG-CG 3.97Å
814	F	96.9	Very high	96.2	Very high	23 Å²	23	44.7 Å²	44.7	10%	0.101	24%	0.244	C	C	.	.	H	α-helix	trans	-67.1	-41.2	178.4	-61.5	-19.9	0	0	0	111	L810 E812 Q816 S817 D818 M831 R833 V836	L810-F814 HydrophobicContact CB-CD2 4.28Å; L810-F814 HydrophobicContact CB-CE1 4.49Å; L810-F814 HydrophobicContact CB-CE2 3.81Å; L810-F814 HydrophobicContact CB-CZ 3.94Å; L810-F814 HydrophobicContact CD1-CZ 4.39Å; L810-F814 HydrophobicContact CD2-CE1 4.13Å; L810-F814 HydrophobicContact CD2-CZ 3.94Å; L810-F814 HydrophobicContact CG-CZ 4.3Å; L810-F814 WeakPolarHBondContact O-CB 3.36Å; L810-F814 WeakPolarHBondContact O-CD1 3.37Å; L810-F814 WeakPolarHBondContact O-CD2 3.46Å; L810-F814 WeakPolarHBondContact O-CG 3.5Å; L810-F814 PolarHBondContact O-N 3.3Å; E812-F814 VanDerWaalsContact C-N 3.32Å; E812-F814 PolarHBondContact O-N 3.45Å; F814-Q816 VanDerWaalsContact C-N 3.33Å; F814-Q816 PolarHBondContact O-N 3.36Å; F814-S817 WeakPolarHBondContact CA-OG 3.46Å; F814-S817 PolarHBondContact O-N 2.92Å; F814-S817 PolarHBondContact O-OG 2.81Å; F814-D818 VanDerWaalsContact O-CB 3.23Å; F814-D818 WeakPolarHBondContact O-CB 3.41Å; F814-D818 PolarHBondContact O-N 3.45Å; F814-M831 VanDerWaalsContact CD1-O 3.29Å; F814-M831 WeakPolarHBondContact CD1-O 3.43Å; F814-R833 HydrophobicContact CB-CB 4.32Å; F814-R833 VanDerWaalsContact CB-NH2 3.27Å; F814-R833 HydrophobicContact CD1-CB 3.86Å; F814-R833 HydrophobicContact CD1-CG 4.48Å; F814-R833 HydrophobicContact CD2-CB 4.29Å; F814-R833 HydrophobicContact CD2-CG 4.03Å; F814-R833 VanDerWaalsContact CE1-CA 3.47Å; F814-R833 HydrophobicContact CE1-CB 4.21Å; F814-R833 HydrophobicContact CE2-CG 4.23Å; F814-R833 HydrophobicContact CG-CB 3.9Å; F814-R833 HydrophobicContact CG-CG 4.15Å; F814-V836 HydrophobicContact CE1-CB 4.06Å; F814-V836 HydrophobicContact CE1-CG1 4.38Å; F814-V836 HydrophobicContact CE1-CG2 4.46Å; F814-V836 HydrophobicContact CZ-CB 4.27Å; F814-V836 HydrophobicContact CZ-CG1 4.41Å
815	H	95	Very high	96.1	Very high	66 Å²	66	44.3 Å²	44.3	31%	0.306	24%	0.239	S	C	.	.	H	α-helix	trans	-57.6	-45.3	175	-176.4	66.8	0	0	0	112.1	Q536 F673 A811 E812 Y819	Q536-H815 PolarHBondContact OE1-CE1 2.95Å; F673-H815 AromaticContact CE2-CD2 3.6Å; F673-H815 AromaticContact CE2-NE2 3.79Å; F673-H815 AromaticContact CZ-CD2 3.71Å; F673-H815 AromaticContact CZ-NE2 3.85Å; A811-H815 WeakPolarHBondContact O-CB 3.35Å; A811-H815 PolarHBondContact O-N 3.35Å; E812-H815 WeakPolarHBondContact O-CB 3.32Å; E812-H815 PolarHBondContact O-N 3.32Å; H815-Y819 WeakPolarHBondContact O-CB 3.39Å; H815-Y819 PolarHBondContact O-N 3.01Å; H815-Y819 VanDerWaalsContact O-N 3.13Å
816	Q	96.8	Very high	96	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.019	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-51.6	173	172.6	174.7	-28	0	0	111.6	F673 N674 E812 F813 F814 D818 Y819 E820 M831	F673-Q816 VanDerWaalsContact CA-OE1 3.3Å; F673-Q816 HydrophobicContact CD1-CB 3.87Å; F673-Q816 HydrophobicContact CD1-CG 3.68Å; F673-Q816 HydrophobicContact CE1-CB 4.02Å; F673-Q816 HydrophobicContact CE1-CG 4.1Å; F673-Q816 HydrophobicContact CG-CB 4.43Å; F673-Q816 HydrophobicContact CG-CG 4.45Å; N674-Q816 VanDerWaalsContact CG-NE2 3.33Å; N674-Q816 PolarHBondContact ND2-NE2 2.84Å; N674-Q816 PolarHBondContact OD1-NE2 2.66Å; E812-Q816 PolarHBondContact O-N 3.03Å; F813-Q816 PolarHBondContact O-N 3.18Å; F814-Q816 VanDerWaalsContact C-N 3.33Å; F814-Q816 PolarHBondContact O-N 3.36Å; Q816-D818 VanDerWaalsContact C-N 3.32Å; Q816-D818 PolarHBondContact O-N 3.08Å; Q816-Y819 PolarHBondContact O-N 2.98Å; Q816-E820 HydrophobicContact CG-CG 4.2Å; Q816-E820 PolarHBondContact NE2-OE1 2.82Å; Q816-E820 WeakPolarHBondContact O-CG 3.34Å; Q816-E820 PolarHBondContact O-N 3.29Å; Q816-M831 HydrophobicContact CB-CE 4.01Å; Q816-M831 VanDerWaalsContact CD-CE 3.45Å; Q816-M831 HydrophobicContact CG-CE 3.95Å
817	S	96.5	Very high	95.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-36.3	-175.9	77.3	0	0	0	0	113.1	F813 F814 Y819 E820 K821 M831	F813-S817 WeakPolarHBondContact O-CB 3.29Å; F813-S817 PolarHBondContact O-N 3.46Å; F814-S817 WeakPolarHBondContact CA-OG 3.46Å; F814-S817 PolarHBondContact O-N 2.92Å; F814-S817 PolarHBondContact O-OG 2.81Å; S817-Y819 VanDerWaalsContact C-N 3.34Å; S817-E820 PolarHBondContact O-N 3.24Å; S817-K821 VanDerWaalsContact O-CG 3.31Å; S817-K821 WeakPolarHBondContact O-CG 3.43Å; S817-K821 PolarHBondContact O-N 2.91Å; S817-M831 VanDerWaalsContact CB-O 3.26Å; S817-M831 WeakPolarHBondContact CB-O 3.29Å; S817-M831 PolarHBondContact OG-O 3.42Å; S817-M831 VanDerWaalsContact OG-O 3.04Å
818	D	95.9	Very high	95.8	Very high	55 Å²	55	46.9 Å²	46.9	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-68.4	-39.9	178.6	-68.8	-24.2	0	0	0	109.2	F814 Q816 L822 R833	F814-D818 VanDerWaalsContact O-CB 3.23Å; F814-D818 WeakPolarHBondContact O-CB 3.41Å; F814-D818 PolarHBondContact O-N 3.45Å; Q816-D818 VanDerWaalsContact C-N 3.32Å; Q816-D818 PolarHBondContact O-N 3.08Å; D818-L822 PolarHBondContact O-N 3.29Å; D818-L822 VanDerWaalsContact O-N 3.13Å; D818-R833 IonicContact OD1-NE 3Å; D818-R833 IonicContact OD2-CZ 3.79Å; D818-R833 IonicContact OD2-NE 3.68Å; D818-R833 PolarHBondContact OD2-NE 3.49Å; D818-R833 IonicContact OD2-NH2 2.75Å; D818-R833 PolarHBondContact OD2-NH2 3.09Å
819	Y	94.2	Very high	95.5	Very high	63 Å²	63	44.9 Å²	44.9	25%	0.247	26%	0.262	C	S	.	.	H	α-helix	trans	-69	-43.1	173.6	-172.9	-89.2	0	0	0	112.5	P535 F673 Y677 H815 Q816 S817 K821 L822 V823	P535-Y819 HydrophobicContact CB-CE2 4.34Å; P535-Y819 HydrophobicContact CG-CD2 4.5Å; P535-Y819 HydrophobicContact CG-CE1 3.86Å; P535-Y819 HydrophobicContact CG-CE2 3.67Å; P535-Y819 WeakPolarHBondContact CG-OH 3.42Å; F673-Y819 AromaticContact CE1-CD1 3.98Å; F673-Y819 HydrophobicContact CE1-CD1 3.98Å; F673-Y819 HydrophobicContact CE1-CG 4.11Å; F673-Y819 HydrophobicContact CZ-CG 4.28Å; Y677-Y819 AromaticContact CE2-CD1 3.64Å; Y677-Y819 HydrophobicContact CE2-CD1 3.64Å; Y677-Y819 AromaticContact CE2-CE1 3.84Å; Y677-Y819 HydrophobicContact CE2-CE1 3.84Å; Y677-Y819 AromaticContact CZ-CE1 3.93Å; Y677-Y819 WeakPolarHBondContact OH-CE1 3.35Å; H815-Y819 WeakPolarHBondContact O-CB 3.39Å; H815-Y819 PolarHBondContact O-N 3.01Å; H815-Y819 VanDerWaalsContact O-N 3.13Å; Q816-Y819 PolarHBondContact O-N 2.98Å; S817-Y819 VanDerWaalsContact C-N 3.34Å; Y819-K821 VanDerWaalsContact C-N 3.29Å; Y819-K821 PolarHBondContact O-N 3.49Å; Y819-L822 HydrophobicContact CD2-CD2 4.38Å; Y819-L822 WeakPolarHBondContact O-CB 3.39Å; Y819-L822 PolarHBondContact O-N 3.19Å; Y819-V823 HydrophobicContact CD1-CG1 4.36Å; Y819-V823 HydrophobicContact CD1-CG2 4Å; Y819-V823 HydrophobicContact CE1-CB 4.31Å; Y819-V823 HydrophobicContact CE1-CG1 3.61Å; Y819-V823 HydrophobicContact CE1-CG2 3.69Å; Y819-V823 HydrophobicContact CE2-CG1 4.15Å; Y819-V823 VanDerWaalsContact CZ-CG1 3.48Å; Y819-V823 WeakPolarHBondContact O-CG2 3.36Å; Y819-V823 PolarHBondContact O-N 2.91Å
820	E	96.9	Very high	95.2	Very high	3 Å²	3	47 Å²	47	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-55.7	-43.7	175.2	-76.7	170.9	162	0	0	111.3	Y677 Q816 S817 L822 V823 G824 L825 V827	Y677-E820 HydrophobicContact CD2-CG 3.88Å; Q816-E820 HydrophobicContact CG-CG 4.2Å; Q816-E820 PolarHBondContact NE2-OE1 2.82Å; Q816-E820 WeakPolarHBondContact O-CG 3.34Å; Q816-E820 PolarHBondContact O-N 3.29Å; S817-E820 PolarHBondContact O-N 3.24Å; E820-L822 PolarHBondContact O-N 3Å; E820-V823 PolarHBondContact O-N 3.37Å; E820-G824 PolarHBondContact O-N 3.14Å; E820-L825 HydrophobicContact CB-CB 4.14Å; E820-L825 HydrophobicContact CG-CB 4.22Å; E820-L825 PolarHBondContact O-N 2.81Å; E820-V827 HydrophobicContact CB-CG2 3.81Å
821	K	95.5	Very high	95	Very high	79 Å²	79	46.3 Å²	46.3	34%	0.343	27%	0.267	S	S	.	.	H	α-helix	trans	-59.5	-45.8	172.7	-70.4	170.4	-173.5	162.8	0	111.9	S817 Y819 V823 G824 V827 D832	S817-K821 VanDerWaalsContact O-CG 3.31Å; S817-K821 WeakPolarHBondContact O-CG 3.43Å; S817-K821 PolarHBondContact O-N 2.91Å; Y819-K821 VanDerWaalsContact C-N 3.29Å; Y819-K821 PolarHBondContact O-N 3.49Å; K821-V823 VanDerWaalsContact C-N 3.32Å; K821-V823 PolarHBondContact O-N 3.45Å; K821-G824 PolarHBondContact O-N 3.34Å; K821-V827 HydrophobicContact CG-CG2 3.64Å; K821-D832 IonicContact NZ-OD1 3.72Å; K821-D832 PolarHBondContact NZ-OD1 2.92Å
822	L	94.8	Very high	94.8	Very high	139 Å²	139	44.7 Å²	44.7	73%	0.728	25%	0.252	S	S	*	.	H	α-helix	trans	-59.9	-41.2	-178.2	178.7	65.8	0	0	0	112.1	D818 Y819 E820	D818-L822 PolarHBondContact O-N 3.29Å; D818-L822 VanDerWaalsContact O-N 3.13Å; Y819-L822 HydrophobicContact CD2-CD2 4.38Å; Y819-L822 WeakPolarHBondContact O-CB 3.39Å; Y819-L822 PolarHBondContact O-N 3.19Å; E820-L822 PolarHBondContact O-N 3Å
823	V	93.2	Very high	94.6	Very high	68 Å²	68	49.8 Å²	49.8	41%	0.412	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	6.1	-179	-61.8	0	0	0	0	114.2	Y819 E820 K821 L825	Y819-V823 HydrophobicContact CD1-CG1 4.36Å; Y819-V823 HydrophobicContact CD1-CG2 4Å; Y819-V823 HydrophobicContact CE1-CB 4.31Å; Y819-V823 HydrophobicContact CE1-CG1 3.61Å; Y819-V823 HydrophobicContact CE1-CG2 3.69Å; Y819-V823 HydrophobicContact CE2-CG1 4.15Å; Y819-V823 VanDerWaalsContact CZ-CG1 3.48Å; Y819-V823 WeakPolarHBondContact O-CG2 3.36Å; Y819-V823 PolarHBondContact O-N 2.91Å; E820-V823 PolarHBondContact O-N 3.37Å; K821-V823 VanDerWaalsContact C-N 3.32Å; K821-V823 PolarHBondContact O-N 3.45Å; V823-L825 HydrophobicContact CG2-CB 4.27Å; V823-L825 HydrophobicContact CG2-CD1 3.64Å; V823-L825 HydrophobicContact CG2-CG 3.66Å
824	G	94.9	Very high	94.4	Very high	68 Å²	68	55.2 Å²	55.2	70%	0.701	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	27.7	177.4	0	0	0	0	0	114.8	E820 K821	E820-G824 PolarHBondContact O-N 3.14Å; K821-G824 PolarHBondContact O-N 3.34Å
825	L	95.8	Very high	94	Very high	38 Å²	38	60.9 Å²	60.9	20%	0.199	32%	0.321	C	S	.	.			trans	-88.3	158.6	173.9	-67.4	177.4	0	0	0	111.9	Y677 N680 A681 E820 V823 V827	Y677-L825 HydrophobicContact CD2-CD1 4.13Å; Y677-L825 HydrophobicContact CE2-CD1 3.98Å; N680-L825 HydrophobicContact CB-CD2 4.26Å; N680-L825 WeakPolarHBondContact O-CD2 3.33Å; A681-L825 HydrophobicContact CB-CD1 3.7Å; E820-L825 HydrophobicContact CB-CB 4.14Å; E820-L825 HydrophobicContact CG-CB 4.22Å; E820-L825 PolarHBondContact O-N 2.81Å; V823-L825 HydrophobicContact CG2-CB 4.27Å; V823-L825 HydrophobicContact CG2-CD1 3.64Å; V823-L825 HydrophobicContact CG2-CG 3.66Å; L825-V827 PolarHBondContact O-N 3.11Å
826	P	96	Very high	93.7	Very high	84 Å²	84	58.9 Å²	58.9	55%	0.545	31%	0.313	S	S	.	.			trans	-61	136.1	175	-20.9	32.9	0	0	0	111.9
827	V	94.9	Very high	93.4	Very high	43 Å²	43	61.8 Å²	61.8	26%	0.261	33%	0.331	S	S	.	.			trans	-110.3	127	178.4	-179.3	0	0	0	0	109.7	E820 K821 L825 D832	E820-V827 HydrophobicContact CB-CG2 3.81Å; K821-V827 HydrophobicContact CG-CG2 3.64Å; L825-V827 PolarHBondContact O-N 3.11Å; V827-D832 HydrophobicContact CG1-CB 4.15Å
828	A	92.3	Very high	93.1	Very high	22 Å²	22	64.4 Å²	64.4	18%	0.182	34%	0.343	C	S	.	.			trans	-72.3	130.3	175.3	0	0	0	0	0	111.1	F830 M831 D832	A828-F830 VanDerWaalsContact C-N 3.26Å; A828-F830 HydrophobicContact CB-CD1 3.95Å; A828-F830 HydrophobicContact CB-CE1 3.55Å; A828-F830 HydrophobicContact CB-CZ 3.99Å; A828-F830 PolarHBondContact O-N 2.81Å; A828-F830 VanDerWaalsContact O-N 3.15Å; A828-M831 HydrophobicContact CB-CB 4.43Å; A828-M831 HydrophobicContact CB-CG 4.16Å; A828-M831 HydrophobicContact CB-SD 4.11Å; A828-M831 PolarHBondContact O-N 3.18Å; A828-D832 PolarHBondContact O-N 3.3Å
829	P	92.5	Very high	93	Very high	54 Å²	54	61.8 Å²	61.8	35%	0.351	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-57.4	-33.2	-176.9	-28.6	35.6	0	0	0	115	L66 M831 D832 K835	L66-P829 HydrophobicContact CD2-CG 4.42Å; P829-M831 PolarHBondContact O-N 3.36Å; P829-D832 PolarHBondContact O-N 2.97Å; P829-K835 HydrophobicContact CB-CD 4.46Å
830	F	90.6	Very high	92.9	Very high	73 Å²	73	60.6 Å²	60.6	32%	0.32	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-77.7	-4.4	179.1	70.5	-93.1	0	0	0	113.7	F813 A828 V836	F813-F830 HydrophobicContact CE2-CD2 4.2Å; F813-F830 HydrophobicContact CE2-CE2 4.06Å; A828-F830 VanDerWaalsContact C-N 3.26Å; A828-F830 HydrophobicContact CB-CD1 3.95Å; A828-F830 HydrophobicContact CB-CE1 3.55Å; A828-F830 HydrophobicContact CB-CZ 3.99Å; A828-F830 PolarHBondContact O-N 2.81Å; A828-F830 VanDerWaalsContact O-N 3.15Å; F830-V836 WeakPolarHBondContact O-CG2 3.48Å
831	M	92.7	Very high	92.6	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-110	-6.8	173.6	-58.9	179.4	63.4	0	0	111.7	N674 F813 F814 Q816 S817 A828 P829 R833	N674-M831 PolarHBondContact ND2-SD 3.36Å; N674-M831 VanDerWaalsContact ND2-SD 3.42Å; F813-M831 HydrophobicContact CB-CB 4.15Å; F813-M831 HydrophobicContact CB-CE 3.94Å; F813-M831 HydrophobicContact CB-CG 4.2Å; F813-M831 HydrophobicContact CD1-CE 3.69Å; F813-M831 HydrophobicContact CD2-CB 4.45Å; F813-M831 HydrophobicContact CD2-CE 4.5Å; F813-M831 HydrophobicContact CD2-CG 3.78Å; F813-M831 HydrophobicContact CE1-CE 4.28Å; F813-M831 HydrophobicContact CE2-CG 4.24Å; F813-M831 HydrophobicContact CG-CB 4.46Å; F813-M831 HydrophobicContact CG-CE 3.8Å; F813-M831 HydrophobicContact CG-CG 3.97Å; F814-M831 VanDerWaalsContact CD1-O 3.29Å; F814-M831 WeakPolarHBondContact CD1-O 3.43Å; Q816-M831 HydrophobicContact CB-CE 4.01Å; Q816-M831 VanDerWaalsContact CD-CE 3.45Å; Q816-M831 HydrophobicContact CG-CE 3.95Å; S817-M831 VanDerWaalsContact CB-O 3.26Å; S817-M831 WeakPolarHBondContact CB-O 3.29Å; S817-M831 PolarHBondContact OG-O 3.42Å; S817-M831 VanDerWaalsContact OG-O 3.04Å; A828-M831 HydrophobicContact CB-CB 4.43Å; A828-M831 HydrophobicContact CB-CG 4.16Å; A828-M831 HydrophobicContact CB-SD 4.11Å; A828-M831 PolarHBondContact O-N 3.18Å; P829-M831 PolarHBondContact O-N 3.36Å; M831-R833 PolarHBondContact O-N 2.98Å
832	D	92.6	Very high	92.6	Very high	11 Å²	11	58.3 Å²	58.3	6%	0.059	33%	0.325	C	S	.	.			trans	-77.1	115.9	-175.7	-173.3	-12	0	0	0	110.6	K821 V827 A828 P829 H834 K835 V836	K821-D832 IonicContact NZ-OD1 3.72Å; K821-D832 PolarHBondContact NZ-OD1 2.92Å; V827-D832 HydrophobicContact CG1-CB 4.15Å; A828-D832 PolarHBondContact O-N 3.3Å; P829-D832 PolarHBondContact O-N 2.97Å; D832-H834 PolarHBondContact O-N 3.27Å; D832-H834 IonicContact OD1-CD2 3.36Å; D832-H834 PolarHBondContact OD1-N 2.84Å; D832-K835 HydrophobicContact CB-CB 4.17Å; D832-K835 HydrophobicContact CB-CD 4.08Å; D832-K835 HydrophobicContact CB-CG 4.21Å; D832-K835 PolarHBondContact O-N 2.83Å; D832-K835 WeakPolarHBondContact OD2-CD 3.45Å; D832-K835 VanDerWaalsContact OD2-CE 3.26Å; D832-K835 WeakPolarHBondContact OD2-CE 3.25Å; D832-K835 IonicContact OD2-NZ 2.78Å; D832-K835 PolarHBondContact OD2-NZ 3.03Å; D832-V836 VanDerWaalsContact O-CG2 3.3Å; D832-V836 WeakPolarHBondContact O-CG2 3.25Å; D832-V836 PolarHBondContact O-N 3.02Å; D832-V836 VanDerWaalsContact O-N 3.12Å
833	R	92.5	Very high	92.7	Very high	113 Å²	113	52.4 Å²	52.4	43%	0.426	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-32.6	178.6	-175.3	-175.5	-65.1	-85.3	5	114.3	F814 D818 M831	F814-R833 HydrophobicContact CB-CB 4.32Å; F814-R833 VanDerWaalsContact CB-NH2 3.27Å; F814-R833 HydrophobicContact CD1-CB 3.86Å; F814-R833 HydrophobicContact CD1-CG 4.48Å; F814-R833 HydrophobicContact CD2-CB 4.29Å; F814-R833 HydrophobicContact CD2-CG 4.03Å; F814-R833 VanDerWaalsContact CE1-CA 3.47Å; F814-R833 HydrophobicContact CE1-CB 4.21Å; F814-R833 HydrophobicContact CE2-CG 4.23Å; F814-R833 HydrophobicContact CG-CB 3.9Å; F814-R833 HydrophobicContact CG-CG 4.15Å; D818-R833 IonicContact OD1-NE 3Å; D818-R833 IonicContact OD2-CZ 3.79Å; D818-R833 IonicContact OD2-NE 3.68Å; D818-R833 PolarHBondContact OD2-NE 3.49Å; D818-R833 IonicContact OD2-NH2 2.75Å; D818-R833 PolarHBondContact OD2-NH2 3.09Å; M831-R833 PolarHBondContact O-N 2.98Å
834	H	91.5	Very high	92.8	Very high	151 Å²	151	50 Å²	50	70%	0.699	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-8.5	-176.7	-55	-62.7	0	0	0	114.3	D832	D832-H834 PolarHBondContact O-N 3.27Å; D832-H834 IonicContact OD1-CD2 3.36Å; D832-H834 PolarHBondContact OD1-N 2.84Å
835	K	88.8	Confident	92.8	Very high	143 Å²	143	48.7 Å²	48.7	62%	0.622	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-14.6	-176.8	-62.4	177.9	-176.2	146.4	0	113.2	P829 D832	P829-K835 HydrophobicContact CB-CD 4.46Å; D832-K835 HydrophobicContact CB-CB 4.17Å; D832-K835 HydrophobicContact CB-CD 4.08Å; D832-K835 HydrophobicContact CB-CG 4.21Å; D832-K835 PolarHBondContact O-N 2.83Å; D832-K835 WeakPolarHBondContact OD2-CD 3.45Å; D832-K835 VanDerWaalsContact OD2-CE 3.26Å; D832-K835 WeakPolarHBondContact OD2-CE 3.25Å; D832-K835 IonicContact OD2-NZ 2.78Å; D832-K835 PolarHBondContact OD2-NZ 3.03Å
836	V	89.6	Confident	93	Very high	23 Å²	23	46.9 Å²	46.9	14%	0.139	25%	0.25	C	S	.	.			trans	-100.7	120.5	-173.6	178.3	0	0	0	0	110	L810 F814 F830 D832	L810-V836 HydrophobicContact CD2-CG1 3.72Å; F814-V836 HydrophobicContact CE1-CB 4.06Å; F814-V836 HydrophobicContact CE1-CG1 4.38Å; F814-V836 HydrophobicContact CE1-CG2 4.46Å; F814-V836 HydrophobicContact CZ-CB 4.27Å; F814-V836 HydrophobicContact CZ-CG1 4.41Å; F830-V836 WeakPolarHBondContact O-CG2 3.48Å; D832-V836 VanDerWaalsContact O-CG2 3.3Å; D832-V836 WeakPolarHBondContact O-CG2 3.25Å; D832-V836 PolarHBondContact O-N 3.02Å; D832-V836 VanDerWaalsContact O-N 3.12Å
837	T	89.6	Confident	93	Very high	65 Å²	65	48.8 Å²	48.8	40%	0.399	25%	0.247	S	C	.	.			trans	-98.5	146.9	159.3	68.9	0	0	0	0	109.5	S839 A840 S841	T837-S839 VanDerWaalsContact C-N 3.3Å; T837-S839 PolarHBondContact O-N 2.94Å; T837-S839 PolarHBondContact OG1-OG 3.21Å; T837-A840 WeakPolarHBondContact OG1-CB 3.13Å; T837-A840 PolarHBondContact OG1-N 2.8Å; T837-S841 VanDerWaalsContact O-CB 3.3Å; T837-S841 WeakPolarHBondContact O-CB 3.25Å; T837-S841 PolarHBondContact O-N 2.98Å
838	K	90.6	Very high	93.1	Very high	56 Å²	56	53 Å²	53	24%	0.243	26%	0.262	C	S	.	.	H	α-helix	trans	-55.7	-47.9	178.6	175.7	173.2	176	159.4	0	111.2	G803 I806 N807 L810 Q842 Y879	G803-K838 PolarHBondContact O-NZ 3.4Å; I806-K838 HydrophobicContact CG1-CD 4.38Å; I806-K838 HydrophobicContact CG1-CG 3.94Å; I806-K838 HydrophobicContact CG2-CD 4.3Å; I806-K838 VanDerWaalsContact CG2-NZ 3.33Å; N807-K838 PolarHBondContact OD1-NZ 3.46Å; L810-K838 HydrophobicContact CD1-CB 4.2Å; K838-Q842 WeakPolarHBondContact O-CG 3.44Å; K838-Q842 PolarHBondContact O-N 2.81Å; K838-Q842 VanDerWaalsContact O-N 3.12Å; K838-Y879 HydrophobicContact CG-CE1 4.26Å
839	S	93.5	Very high	93.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-52.8	-177.6	65.8	0	0	0	0	112.3	T837 S841 Q842 C843 H883 E886	T837-S839 VanDerWaalsContact C-N 3.3Å; T837-S839 PolarHBondContact O-N 2.94Å; T837-S839 PolarHBondContact OG1-OG 3.21Å; S839-S841 PolarHBondContact O-N 3.29Å; S839-Q842 PolarHBondContact O-N 3.42Å; S839-C843 PolarHBondContact O-N 3.1Å; S839-C843 PolarHBondContact O-SG 3.17Å; S839-H883 WeakPolarHBondContact OG-CA 3.49Å; S839-H883 PolarHBondContact OG-ND1 3.1Å; S839-E886 WeakPolarHBondContact CB-OE2 3.38Å; S839-E886 PolarHBondContact OG-OE2 3.04Å
840	A	91.5	Very high	93.7	Very high	38 Å²	38	49.8 Å²	49.8	31%	0.314	24%	0.239	S	C	.	.	H	α-helix	trans	-64	-42.1	-178.1	0	0	0	0	0	111.9	T837 Q842 C843 G844	T837-A840 WeakPolarHBondContact OG1-CB 3.13Å; T837-A840 PolarHBondContact OG1-N 2.8Å; A840-Q842 VanDerWaalsContact C-N 3.33Å; A840-Q842 PolarHBondContact O-N 2.91Å; A840-C843 PolarHBondContact O-N 3.24Å; A840-G844 PolarHBondContact O-N 3.05Å
841	S	92.5	Very high	94	Very high	27 Å²	27	46.8 Å²	46.8	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-58.2	-45.5	176.5	-179.4	0	0	0	0	111.7	T837 S839 F845	T837-S841 VanDerWaalsContact O-CB 3.3Å; T837-S841 WeakPolarHBondContact O-CB 3.25Å; T837-S841 PolarHBondContact O-N 2.98Å; S839-S841 PolarHBondContact O-N 3.29Å; S841-F845 WeakPolarHBondContact O-CB 3.36Å; S841-F845 PolarHBondContact O-N 3.24Å
842	Q	95.2	Very high	94.3	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.028	24%	0.239	C	C	.	.	H	α-helix	trans	-73.7	-39.2	-178.6	-66.8	-45.7	-69.3	0	0	112.4	E795 I806 K838 S839 A840 G844 F845 I846 Y879	E795-Q842 PolarHBondContact OE1-OE1 2.9Å; I806-Q842 HydrophobicContact CD1-CG 4.03Å; I806-Q842 HydrophobicContact CG1-CG 3.91Å; K838-Q842 WeakPolarHBondContact O-CG 3.44Å; K838-Q842 PolarHBondContact O-N 2.81Å; K838-Q842 VanDerWaalsContact O-N 3.12Å; S839-Q842 PolarHBondContact O-N 3.42Å; A840-Q842 VanDerWaalsContact C-N 3.33Å; A840-Q842 PolarHBondContact O-N 2.91Å; Q842-G844 VanDerWaalsContact C-N 3.31Å; Q842-G844 PolarHBondContact O-N 3.4Å; Q842-F845 PolarHBondContact O-N 3.17Å; Q842-I846 HydrophobicContact CB-CD1 4.26Å; Q842-I846 VanDerWaalsContact O-CB 3.31Å; Q842-I846 WeakPolarHBondContact O-CB 3.39Å; Q842-I846 WeakPolarHBondContact O-CD1 3.46Å; Q842-I846 WeakPolarHBondContact O-CG1 3.21Å; Q842-I846 PolarHBondContact O-N 3.41Å; Q842-Y879 HydrophobicContact CB-CD1 3.94Å; Q842-Y879 HydrophobicContact CB-CD2 3.46Å; Q842-Y879 VanDerWaalsContact CB-CD2 3.46Å; Q842-Y879 HydrophobicContact CB-CE1 4.08Å; Q842-Y879 HydrophobicContact CB-CE2 3.6Å; Q842-Y879 HydrophobicContact CB-CG 3.62Å; Q842-Y879 HydrophobicContact CG-CD1 4.29Å; Q842-Y879 HydrophobicContact CG-CD2 4.16Å; Q842-Y879 HydrophobicContact CG-CE1 3.93Å; Q842-Y879 HydrophobicContact CG-CE2 3.78Å; Q842-Y879 HydrophobicContact CG-CG 4.39Å
843	C	95.9	Very high	94.6	Very high	15 Å²	15	48.2 Å²	48.2	10%	0.101	24%	0.236	C	C	.	.	H	α-helix	trans	-54.8	-48	172.6	-73.5	0	0	0	0	112	S839 A840 R847 L876 Y879 T880	S839-C843 PolarHBondContact O-N 3.1Å; S839-C843 PolarHBondContact O-SG 3.17Å; A840-C843 PolarHBondContact O-N 3.24Å; C843-R847 WeakPolarHBondContact O-CB 3.29Å; C843-R847 PolarHBondContact O-N 3.44Å; C843-R847 VanDerWaalsContact O-N 3.13Å; C843-L876 HydrophobicContact CB-CD1 4.47Å; C843-Y879 PolarHBondContact SG-O 2.96Å; C843-T880 PolarHBondContact SG-N 3.48Å; C843-T880 VanDerWaalsContact SG-N 3.42Å
844	G	94.6	Very high	94.9	Very high	19 Å²	19	42.9 Å²	42.9	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-50.1	178.9	0	0	0	0	0	112.4	A840 Q842 R847 F848	A840-G844 PolarHBondContact O-N 3.05Å; Q842-G844 VanDerWaalsContact C-N 3.31Å; Q842-G844 PolarHBondContact O-N 3.4Å; G844-R847 PolarHBondContact O-N 3.49Å; G844-F848 WeakPolarHBondContact O-CB 3.48Å; G844-F848 WeakPolarHBondContact O-CD2 3.22Å; G844-F848 PolarHBondContact O-N 3.03Å
845	F	96.7	Very high	95.2	Very high	40 Å²	40	39.6 Å²	39.6	18%	0.175	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-45	-177.8	-170.9	-117.6	0	0	0	112.2	Y67 I792 S841 Q842 R847 V849 I850	Y67-F845 HydrophobicContact CE1-CD2 4.24Å; Y67-F845 WeakPolarHBondContact OH-CD2 2.99Å; I792-F845 HydrophobicContact CB-CE1 4.37Å; I792-F845 HydrophobicContact CB-CZ 4.19Å; I792-F845 HydrophobicContact CD1-CZ 4.42Å; I792-F845 HydrophobicContact CG2-CZ 4.18Å; S841-F845 WeakPolarHBondContact O-CB 3.36Å; S841-F845 PolarHBondContact O-N 3.24Å; Q842-F845 PolarHBondContact O-N 3.17Å; F845-R847 PolarHBondContact O-N 3.13Å; F845-V849 HydrophobicContact CD2-CB 3.81Å; F845-V849 HydrophobicContact CD2-CG1 4.22Å; F845-V849 HydrophobicContact CD2-CG2 3.76Å; F845-V849 HydrophobicContact CE2-CB 3.8Å; F845-V849 HydrophobicContact CE2-CG1 3.67Å; F845-V849 HydrophobicContact CE2-CG2 3.97Å; F845-V849 HydrophobicContact CZ-CG1 4.17Å; F845-V849 WeakPolarHBondContact O-CA 2.95Å; F845-V849 WeakPolarHBondContact O-CB 3.17Å; F845-V849 PolarHBondContact O-N 3.04Å; F845-I850 HydrophobicContact CD1-CD1 3.6Å; F845-I850 HydrophobicContact CD1-CG1 3.84Å; F845-I850 HydrophobicContact CE1-CD1 3.62Å; F845-I850 HydrophobicContact CE1-CG1 3.72Å; F845-I850 HydrophobicContact CZ-CG1 4.37Å; F845-I850 PolarHBondContact O-N 3.34Å; F845-I850 VanDerWaalsContact O-N 3.09Å
846	I	98	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-63.1	-47.6	179.5	-63.2	163.6	0	0	0	110.5	E795 Q842 I850 L851 A872 Q875 L876 Y879	E795-I846 HydrophobicContact CB-CD1 4.18Å; E795-I846 HydrophobicContact CB-CG1 4.1Å; E795-I846 HydrophobicContact CG-CD1 4.04Å; E795-I846 HydrophobicContact CG-CG1 4.04Å; Q842-I846 HydrophobicContact CB-CD1 4.26Å; Q842-I846 VanDerWaalsContact O-CB 3.31Å; Q842-I846 WeakPolarHBondContact O-CB 3.39Å; Q842-I846 WeakPolarHBondContact O-CD1 3.46Å; Q842-I846 WeakPolarHBondContact O-CG1 3.21Å; Q842-I846 PolarHBondContact O-N 3.41Å; I846-I850 HydrophobicContact CG1-CD1 4.03Å; I846-I850 PolarHBondContact O-N 2.85Å; I846-L851 HydrophobicContact CG2-CD1 4.1Å; I846-L851 HydrophobicContact CG2-CG 4.03Å; I846-L851 WeakPolarHBondContact O-CB 3.19Å; I846-L851 WeakPolarHBondContact O-CG 3.23Å; I846-L851 PolarHBondContact O-N 2.97Å; I846-A872 HydrophobicContact CG2-CB 4.49Å; I846-A872 WeakPolarHBondContact CG2-O 3.46Å; I846-Q875 HydrophobicContact CD1-CB 4.04Å; I846-L876 HydrophobicContact CB-CB 4.48Å; I846-L876 HydrophobicContact CB-CD1 4.29Å; I846-L876 HydrophobicContact CG2-CB 3.8Å; I846-L876 HydrophobicContact CG2-CD1 4.37Å; I846-L876 HydrophobicContact CG2-CG 4.46Å; I846-Y879 HydrophobicContact CD1-CD2 3.72Å; I846-Y879 HydrophobicContact CD1-CE2 4.1Å
847	R	97.6	Very high	96.1	Very high	124 Å²	124	32 Å²	32	47%	0.468	17%	0.167	S	C	.	.	I	π-helix	trans	-68.3	-40.4	-175.3	-172.9	177.1	-62.8	-155.9	1.3	113.5	C843 G844 F845 P852 L876	C843-R847 WeakPolarHBondContact O-CB 3.29Å; C843-R847 PolarHBondContact O-N 3.44Å; C843-R847 VanDerWaalsContact O-N 3.13Å; G844-R847 PolarHBondContact O-N 3.49Å; F845-R847 PolarHBondContact O-N 3.13Å; R847-P852 WeakPolarHBondContact O-CD 3.36Å; R847-L876 HydrophobicContact CB-CD1 4.36Å; R847-L876 HydrophobicContact CB-CD2 4.43Å
848	F	96.9	Very high	96.5	Very high	130 Å²	130	29.5 Å²	29.5	57%	0.57	15%	0.152	S	C	*	.	I	π-helix	trans	-106.8	-11.8	-168.1	-58	-58.5	0	0	0	114.4	G844	G844-F848 WeakPolarHBondContact O-CB 3.48Å; G844-F848 WeakPolarHBondContact O-CD2 3.22Å; G844-F848 PolarHBondContact O-N 3.03Å
849	V	97.9	Very high	96.9	Very high	8 Å²	8	32.5 Å²	32.5	5%	0.048	17%	0.165	C	C	.	.	I	π-helix	trans	-123.2	-55.3	179.8	-175.4	0	0	0	0	111.4	Y67 M739 I792 F845 L853	Y67-V849 HydrophobicContact CD1-CG2 4.08Å; Y67-V849 HydrophobicContact CE1-CG2 3.67Å; M739-V849 HydrophobicContact CE-CG1 3.53Å; I792-V849 HydrophobicContact CD1-CG1 4.01Å; F845-V849 HydrophobicContact CD2-CB 3.81Å; F845-V849 HydrophobicContact CD2-CG1 4.22Å; F845-V849 HydrophobicContact CD2-CG2 3.76Å; F845-V849 HydrophobicContact CE2-CB 3.8Å; F845-V849 HydrophobicContact CE2-CG1 3.67Å; F845-V849 HydrophobicContact CE2-CG2 3.97Å; F845-V849 HydrophobicContact CZ-CG1 4.17Å; F845-V849 WeakPolarHBondContact O-CA 2.95Å; F845-V849 WeakPolarHBondContact O-CB 3.17Å; F845-V849 PolarHBondContact O-N 3.04Å; V849-L853 WeakPolarHBondContact O-CB 3.41Å; V849-L853 PolarHBondContact O-N 2.89Å
850	I	98.3	Very high	97.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.165	C	C	.	.	I	π-helix	trans	-68.6	-57.8	-173.7	-63.9	-174	0	0	0	111.3	I792 E795 F845 I846 L853 F854 A872	I792-I850 HydrophobicContact CD1-CG1 4.23Å; I792-I850 HydrophobicContact CG1-CG1 4.44Å; E795-I850 HydrophobicContact CB-CD1 3.9Å; E795-I850 HydrophobicContact CG-CD1 4.15Å; F845-I850 HydrophobicContact CD1-CD1 3.6Å; F845-I850 HydrophobicContact CD1-CG1 3.84Å; F845-I850 HydrophobicContact CE1-CD1 3.62Å; F845-I850 HydrophobicContact CE1-CG1 3.72Å; F845-I850 HydrophobicContact CZ-CG1 4.37Å; F845-I850 PolarHBondContact O-N 3.34Å; F845-I850 VanDerWaalsContact O-N 3.09Å; I846-I850 HydrophobicContact CG1-CD1 4.03Å; I846-I850 PolarHBondContact O-N 2.85Å; I850-L853 PolarHBondContact O-N 2.83Å; I850-F854 HydrophobicContact CG2-CD1 4.06Å; I850-F854 HydrophobicContact CG2-CD2 3.52Å; I850-F854 HydrophobicContact CG2-CE1 3.82Å; I850-F854 HydrophobicContact CG2-CE2 3.23Å; I850-F854 HydrophobicContact CG2-CG 3.96Å; I850-F854 HydrophobicContact CG2-CZ 3.43Å; I850-F854 VanDerWaalsContact CG2-CZ 3.43Å; I850-F854 WeakPolarHBondContact O-CB 3.15Å; I850-F854 WeakPolarHBondContact O-CD1 3.49Å; I850-F854 VanDerWaalsContact O-CG 3.29Å; I850-F854 WeakPolarHBondContact O-CG 3.47Å; I850-F854 PolarHBondContact O-N 2.96Å; I850-A872 HydrophobicContact CG2-CB 4.08Å
851	L	98.5	Very high	97.4	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.058	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-46.7	-174.4	-75.2	172.5	0	0	0	112.8	I846 L853 F854 E855 V869 A872 L873 L876	I846-L851 HydrophobicContact CG2-CD1 4.1Å; I846-L851 HydrophobicContact CG2-CG 4.03Å; I846-L851 WeakPolarHBondContact O-CB 3.19Å; I846-L851 WeakPolarHBondContact O-CG 3.23Å; I846-L851 PolarHBondContact O-N 2.97Å; L851-L853 VanDerWaalsContact C-N 3.28Å; L851-L853 PolarHBondContact O-N 3.28Å; L851-F854 PolarHBondContact O-N 3.37Å; L851-E855 VanDerWaalsContact O-CB 3.25Å; L851-E855 WeakPolarHBondContact O-CB 3.37Å; L851-E855 VanDerWaalsContact O-CG 3.25Å; L851-E855 WeakPolarHBondContact O-CG 3.5Å; L851-E855 PolarHBondContact O-N 2.91Å; L851-V869 HydrophobicContact CD2-CG1 4.39Å; L851-A872 HydrophobicContact CD2-CB 3.84Å; L851-L873 HydrophobicContact CD1-CD2 3.8Å; L851-L873 HydrophobicContact CD2-CD2 3.91Å; L851-L873 HydrophobicContact CD2-CG 3.96Å; L851-L876 HydrophobicContact CD1-CD2 3.69Å
852	P	98.5	Very high	97.6	Very high	42 Å²	42	33.1 Å²	33.1	27%	0.273	17%	0.166	S	C	.	.	H	α-helix	trans	-56.4	-41.8	176.8	-27.4	36.5	0	0	0	113.2	L746 R847 S856	L746-P852 HydrophobicContact CD2-CB 4.1Å; R847-P852 WeakPolarHBondContact O-CD 3.36Å; P852-S856 WeakPolarHBondContact O-CB 3.44Å; P852-S856 PolarHBondContact O-N 2.97Å; P852-S856 VanDerWaalsContact O-N 3.13Å; P852-S856 PolarHBondContact O-OG 3.46Å
853	L	98.6	Very high	97.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-66.8	-46.4	177.6	-176.9	67.6	0	0	0	111.6	L746 I785 K788 I789 I792 V849 I850 L851 S856 L857	L746-L853 HydrophobicContact CD1-CD1 4.11Å; I785-L853 HydrophobicContact CD1-CD1 3.53Å; I785-L853 HydrophobicContact CG2-CD1 4.16Å; K788-L853 HydrophobicContact CB-CD2 4.05Å; I789-L853 HydrophobicContact CD1-CG 4.23Å; I789-L853 HydrophobicContact CG1-CD1 4.43Å; I789-L853 HydrophobicContact CG1-CD2 3.62Å; I789-L853 HydrophobicContact CG1-CG 3.6Å; I792-L853 HydrophobicContact CD1-CD2 3.75Å; I792-L853 HydrophobicContact CG1-CD2 4.36Å; V849-L853 WeakPolarHBondContact O-CB 3.41Å; V849-L853 PolarHBondContact O-N 2.89Å; I850-L853 PolarHBondContact O-N 2.83Å; L851-L853 VanDerWaalsContact C-N 3.28Å; L851-L853 PolarHBondContact O-N 3.28Å; L853-S856 PolarHBondContact O-N 3.04Å; L853-L857 PolarHBondContact O-N 3.5Å
854	F	98.6	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.7	-42.7	-175.1	-72.1	15.1	0	0	0	111.3	I789 I792 A796 I850 L851 S856 L857 A858 I868 V869 A872	I789-F854 HydrophobicContact CB-CD1 4.27Å; I789-F854 HydrophobicContact CB-CE1 3.98Å; I789-F854 HydrophobicContact CD1-CD1 4.18Å; I789-F854 HydrophobicContact CG1-CD1 3.69Å; I789-F854 HydrophobicContact CG1-CE1 3.86Å; I789-F854 HydrophobicContact CG2-CD1 3.94Å; I789-F854 HydrophobicContact CG2-CE1 3.61Å; I789-F854 HydrophobicContact CG2-CZ 4.13Å; I792-F854 HydrophobicContact CG1-CE1 4.24Å; A796-F854 HydrophobicContact CB-CE2 3.93Å; I850-F854 HydrophobicContact CG2-CD1 4.06Å; I850-F854 HydrophobicContact CG2-CD2 3.52Å; I850-F854 HydrophobicContact CG2-CE1 3.82Å; I850-F854 HydrophobicContact CG2-CE2 3.23Å; I850-F854 HydrophobicContact CG2-CG 3.96Å; I850-F854 HydrophobicContact CG2-CZ 3.43Å; I850-F854 VanDerWaalsContact CG2-CZ 3.43Å; I850-F854 WeakPolarHBondContact O-CB 3.15Å; I850-F854 WeakPolarHBondContact O-CD1 3.49Å; I850-F854 VanDerWaalsContact O-CG 3.29Å; I850-F854 WeakPolarHBondContact O-CG 3.47Å; I850-F854 PolarHBondContact O-N 2.96Å; L851-F854 PolarHBondContact O-N 3.37Å; F854-S856 VanDerWaalsContact C-N 3.32Å; F854-S856 PolarHBondContact O-N 2.99Å; F854-L857 PolarHBondContact O-N 3.13Å; F854-A858 WeakPolarHBondContact O-CB 3.12Å; F854-A858 PolarHBondContact O-N 2.95Å; F854-I868 HydrophobicContact CB-CD1 3.94Å; F854-I868 HydrophobicContact CB-CG1 4.12Å; F854-I868 HydrophobicContact CD1-CD1 4.34Å; F854-I868 HydrophobicContact CD2-CB 3.69Å; F854-I868 HydrophobicContact CD2-CD1 4.29Å; F854-I868 HydrophobicContact CD2-CG1 4.04Å; F854-I868 WeakPolarHBondContact CD2-O 3.2Å; F854-I868 HydrophobicContact CE2-CB 3.94Å; F854-I868 HydrophobicContact CG-CB 4.23Å; F854-I868 HydrophobicContact CG-CD1 3.93Å; F854-I868 HydrophobicContact CG-CG1 4.13Å; F854-V869 HydrophobicContact CB-CG2 3.9Å; F854-A872 HydrophobicContact CD2-CB 4.07Å; F854-A872 HydrophobicContact CE2-CB 4.23Å
855	E	98.5	Very high	97.9	Very high	83 Å²	83	41.4 Å²	41.4	39%	0.388	20%	0.196	S	C	.	.	H	α-helix	trans	-64.1	-37.1	175.6	-71.6	179.3	167.9	0	0	111.6	L851 A858 K859 V869	L851-E855 VanDerWaalsContact O-CB 3.25Å; L851-E855 WeakPolarHBondContact O-CB 3.37Å; L851-E855 VanDerWaalsContact O-CG 3.25Å; L851-E855 WeakPolarHBondContact O-CG 3.5Å; L851-E855 PolarHBondContact O-N 2.91Å; E855-A858 PolarHBondContact O-N 3.46Å; E855-K859 VanDerWaalsContact O-CG 3.31Å; E855-K859 WeakPolarHBondContact O-CG 3.47Å; E855-K859 PolarHBondContact O-N 3.15Å; E855-V869 HydrophobicContact CG-CG1 4.08Å; E855-V869 HydrophobicContact CG-CG2 4.41Å
856	S	98.4	Very high	97.9	Very high	5 Å²	5	43.7 Å²	43.7	4%	0.035	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-45.7	174.4	-82.2	0	0	0	0	112.1	N750 L754 P852 L853 F854 K859	N750-S856 WeakPolarHBondContact OD1-CB 3.31Å; N750-S856 PolarHBondContact OD1-OG 3.49Å; L754-S856 WeakPolarHBondContact CD1-O 3.26Å; P852-S856 WeakPolarHBondContact O-CB 3.44Å; P852-S856 PolarHBondContact O-N 2.97Å; P852-S856 VanDerWaalsContact O-N 3.13Å; P852-S856 PolarHBondContact O-OG 3.46Å; L853-S856 PolarHBondContact O-N 3.04Å; F854-S856 VanDerWaalsContact C-N 3.32Å; F854-S856 PolarHBondContact O-N 2.99Å; S856-K859 PolarHBondContact O-N 3.44Å
857	L	98.4	Very high	97.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-41.9	173.9	-175.9	63.7	0	0	0	111.5	I785 I786 I789 L853 F854 K859 L860 L861 V864 I868	I785-L857 HydrophobicContact CG2-CB 4Å; I785-L857 HydrophobicContact CG2-CD1 4.24Å; I786-L857 HydrophobicContact CG1-CD1 4.46Å; I786-L857 HydrophobicContact CG1-CD2 4.12Å; I789-L857 HydrophobicContact CD1-CB 3.45Å; I789-L857 VanDerWaalsContact CD1-CB 3.45Å; I789-L857 HydrophobicContact CD1-CD2 3.43Å; I789-L857 VanDerWaalsContact CD1-CD2 3.43Å; I789-L857 HydrophobicContact CD1-CG 4.04Å; L853-L857 PolarHBondContact O-N 3.5Å; F854-L857 PolarHBondContact O-N 3.13Å; L857-K859 PolarHBondContact O-N 2.93Å; L857-L860 PolarHBondContact O-N 3.12Å; L857-L861 HydrophobicContact CD1-CD1 3.86Å; L857-L861 HydrophobicContact CD1-CG 4.35Å; L857-L861 HydrophobicContact CG-CD1 4.37Å; L857-L861 PolarHBondContact O-N 2.97Å; L857-V864 HydrophobicContact CD2-CG2 4.07Å; L857-V864 HydrophobicContact CG-CG2 4.04Å; L857-I868 HydrophobicContact CD2-CD1 4.44Å
858	A	98.3	Very high	97.9	Very high	12 Å²	12	39 Å²	39	10%	0.099	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-21	179.9	0	0	0	0	0	113.9	F854 E855 L861 P862 V864 K865 V869	F854-A858 WeakPolarHBondContact O-CB 3.12Å; F854-A858 PolarHBondContact O-N 2.95Å; E855-A858 PolarHBondContact O-N 3.46Å; A858-L861 CarbonylContact O-C 3.52Å; A858-P862 VanDerWaalsContact O-CA 3.3Å; A858-P862 WeakPolarHBondContact O-CA 3.5Å; A858-V864 HydrophobicContact CB-CG2 4.3Å; A858-K865 HydrophobicContact CB-CB 4.04Å; A858-K865 HydrophobicContact CB-CG 4.41Å; A858-V869 HydrophobicContact CB-CG2 3.75Å
859	K	98.1	Very high	98	Very high	119 Å²	119	32.9 Å²	32.9	52%	0.517	17%	0.172	S	C	.	.	H	α-helix	trans	-68.1	-38.5	168.7	-75.6	166.8	-174.2	170.6	0	111.6	L754 L757 E855 S856 L857	L754-K859 HydrophobicContact CD1-CB 4.22Å; L754-K859 HydrophobicContact CD1-CD 4.03Å; L754-K859 HydrophobicContact CD2-CB 4.23Å; L757-K859 WeakPolarHBondContact CD2-O 3.37Å; E855-K859 VanDerWaalsContact O-CG 3.31Å; E855-K859 WeakPolarHBondContact O-CG 3.47Å; E855-K859 PolarHBondContact O-N 3.15Å; S856-K859 PolarHBondContact O-N 3.44Å; L857-K859 PolarHBondContact O-N 2.93Å
860	L	98.1	Very high	98	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-77.1	-46.1	176.1	-176.8	67.2	0	0	0	112	F749 V753 L754 L757 A760 W761 W772 V782 L857 P862	F749-L860 HydrophobicContact CE2-CD2 4.34Å; F749-L860 HydrophobicContact CZ-CB 4.42Å; F749-L860 HydrophobicContact CZ-CD2 4.19Å; V753-L860 HydrophobicContact CG1-CD1 3.94Å; V753-L860 HydrophobicContact CG1-CD2 3.91Å; V753-L860 HydrophobicContact CG1-CG 4.48Å; L754-L860 HydrophobicContact CD2-CB 3.93Å; L757-L860 HydrophobicContact CD1-CD1 3.94Å; A760-L860 HydrophobicContact CB-CD1 4.37Å; W761-L860 VanDerWaalsContact CZ2-O 3.24Å; W761-L860 WeakPolarHBondContact CZ2-O 3.35Å; W761-L860 PolarHBondContact NE1-O 3.29Å; W772-L860 HydrophobicContact CD2-CD2 4.3Å; W772-L860 HydrophobicContact CG-CD1 4.3Å; V782-L860 HydrophobicContact CG1-CD2 4.36Å; V782-L860 HydrophobicContact CG2-CD2 3.49Å; V782-L860 VanDerWaalsContact CG2-CD2 3.49Å; L857-L860 PolarHBondContact O-N 3.12Å; L860-P862 WeakPolarHBondContact O-CD 3.46Å
861	L	97.4	Very high	97.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.197	C	C	.	.			trans	-120.4	81.9	-175.5	-58.3	175	0	0	0	109.9	L647 W761 W772 L857 A858 E863 V864	L647-L861 HydrophobicContact CD2-CD1 3.86Å; W761-L861 HydrophobicContact CH2-CD2 4.25Å; W761-L861 HydrophobicContact CZ2-CD2 3.91Å; W772-L861 HydrophobicContact CZ2-CD2 4.15Å; L857-L861 HydrophobicContact CD1-CD1 3.86Å; L857-L861 HydrophobicContact CD1-CG 4.35Å; L857-L861 HydrophobicContact CG-CD1 4.37Å; L857-L861 PolarHBondContact O-N 2.97Å; A858-L861 CarbonylContact O-C 3.52Å; L861-E863 PolarHBondContact O-N 3.45Å; L861-V864 HydrophobicContact CB-CG1 4.18Å; L861-V864 HydrophobicContact CB-CG2 4.34Å; L861-V864 VanDerWaalsContact O-CG2 3.27Å; L861-V864 WeakPolarHBondContact O-CG2 3.45Å; L861-V864 PolarHBondContact O-N 3.29Å; L861-V864 VanDerWaalsContact O-N 3.08Å
862	P	97.1	Very high	97.9	Very high	78 Å²	78	37.2 Å²	37.2	51%	0.506	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-56	-26.5	-175.9	-26.9	36.3	0	0	0	114.5	A858 L860 V864 K865	A858-P862 VanDerWaalsContact O-CA 3.3Å; A858-P862 WeakPolarHBondContact O-CA 3.5Å; L860-P862 WeakPolarHBondContact O-CD 3.46Å; P862-V864 PolarHBondContact O-N 2.75Å; P862-K865 WeakPolarHBondContact O-CB 3.19Å; P862-K865 PolarHBondContact O-N 3.2Å; P862-K865 VanDerWaalsContact O-N 3.13Å
863	E	96.1	Very high	97.9	Very high	96 Å²	96	38.4 Å²	38.4	45%	0.449	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-62.8	-26.1	179.2	-56.5	87.9	167.3	0	0	112.9	G644 L861 K865 P866	G644-E863 VanDerWaalsContact O-CB 3.3Å; G644-E863 WeakPolarHBondContact O-CB 3.46Å; L861-E863 PolarHBondContact O-N 3.45Å; E863-K865 VanDerWaalsContact C-N 3.33Å; E863-P866 WeakPolarHBondContact O-CD 3.31Å; E863-P866 WeakPolarHBondContact O-CG 3.43Å
864	V	97.4	Very high	97.9	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-80.9	-14.5	178.2	-50.1	0	0	0	0	112.8	L641 L857 A858 L861 P862 I867 I868	L641-V864 HydrophobicContact CD2-CB 4.07Å; L641-V864 HydrophobicContact CD2-CG1 3.98Å; L857-V864 HydrophobicContact CD2-CG2 4.07Å; L857-V864 HydrophobicContact CG-CG2 4.04Å; A858-V864 HydrophobicContact CB-CG2 4.3Å; L861-V864 HydrophobicContact CB-CG1 4.18Å; L861-V864 HydrophobicContact CB-CG2 4.34Å; L861-V864 VanDerWaalsContact O-CG2 3.27Å; L861-V864 WeakPolarHBondContact O-CG2 3.45Å; L861-V864 PolarHBondContact O-N 3.29Å; L861-V864 VanDerWaalsContact O-N 3.08Å; P862-V864 PolarHBondContact O-N 2.75Å; V864-I867 WeakPolarHBondContact O-CA 3.45Å; V864-I867 VanDerWaalsContact O-CB 3.31Å; V864-I867 WeakPolarHBondContact O-CB 3.45Å; V864-I867 PolarHBondContact O-N 3.12Å; V864-I868 HydrophobicContact CB-CD1 4.49Å; V864-I868 HydrophobicContact CG2-CD1 3.95Å; V864-I868 HydrophobicContact CG2-CG1 4.3Å; V864-I868 WeakPolarHBondContact O-CG1 3.11Å; V864-I868 PolarHBondContact O-N 2.95Å
865	K	97.8	Very high	97.8	Very high	116 Å²	116	44.2 Å²	44.2	50%	0.504	22%	0.224	S	C	.	.	I	π-helix	trans	-52.7	-50.9	-179.6	-170	178.8	-179.8	176.2	0	113.8	A858 P862 E863 I867 V869 Q870	A858-K865 HydrophobicContact CB-CB 4.04Å; A858-K865 HydrophobicContact CB-CG 4.41Å; P862-K865 WeakPolarHBondContact O-CB 3.19Å; P862-K865 PolarHBondContact O-N 3.2Å; P862-K865 VanDerWaalsContact O-N 3.13Å; E863-K865 VanDerWaalsContact C-N 3.33Å; K865-I867 PolarHBondContact O-N 2.89Å; K865-V869 HydrophobicContact CG-CB 3.89Å; K865-V869 HydrophobicContact CG-CG1 4.34Å; K865-V869 HydrophobicContact CG-CG2 4.17Å; K865-V869 WeakPolarHBondContact O-CB 3.35Å; K865-V869 PolarHBondContact O-N 3.36Å; K865-Q870 PolarHBondContact O-N 3.28Å; K865-Q870 VanDerWaalsContact O-N 3.08Å
866	P	97.5	Very high	97.7	Very high	88 Å²	88	41.2 Å²	41.2	57%	0.571	21%	0.211	S	C	*	.	I	π-helix	trans	-66.1	-20.3	175.7	26.7	-36.6	0	0	0	113.7	E863 P871	E863-P866 WeakPolarHBondContact O-CD 3.31Å; E863-P866 WeakPolarHBondContact O-CG 3.43Å; P866-P871 WeakPolarHBondContact O-CD 3.3Å
867	I	97.7	Very high	97.7	Very high	25 Å²	25	43.5 Å²	43.5	13%	0.128	23%	0.23	C	C	.	.	I	π-helix	trans	-80.6	-42.9	-177.6	-54.1	-179.4	0	0	0	111.2	V640 V864 K865	V640-I867 HydrophobicContact CG1-CG2 3.62Å; V864-I867 WeakPolarHBondContact O-CA 3.45Å; V864-I867 VanDerWaalsContact O-CB 3.31Å; V864-I867 WeakPolarHBondContact O-CB 3.45Å; V864-I867 PolarHBondContact O-N 3.12Å; K865-I867 PolarHBondContact O-N 2.89Å
868	I	98.2	Very high	97.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-120.7	-41.4	-171.5	64.4	177	0	0	0	114.4	M637 L641 I789 A796 F854 L857 V864 A872	M637-I868 HydrophobicContact SD-CG2 4.25Å; L641-I868 HydrophobicContact CD2-CG2 3.97Å; I789-I868 HydrophobicContact CD1-CD1 4Å; I789-I868 HydrophobicContact CG2-CD1 3.8Å; I789-I868 HydrophobicContact CG2-CG2 4.34Å; A796-I868 HydrophobicContact CB-CB 4.29Å; A796-I868 HydrophobicContact CB-CG2 4.35Å; F854-I868 HydrophobicContact CB-CD1 3.94Å; F854-I868 HydrophobicContact CB-CG1 4.12Å; F854-I868 HydrophobicContact CD1-CD1 4.34Å; F854-I868 HydrophobicContact CD2-CB 3.69Å; F854-I868 HydrophobicContact CD2-CD1 4.29Å; F854-I868 HydrophobicContact CD2-CG1 4.04Å; F854-I868 WeakPolarHBondContact CD2-O 3.2Å; F854-I868 HydrophobicContact CE2-CB 3.94Å; F854-I868 HydrophobicContact CG-CB 4.23Å; F854-I868 HydrophobicContact CG-CD1 3.93Å; F854-I868 HydrophobicContact CG-CG1 4.13Å; L857-I868 HydrophobicContact CD2-CD1 4.44Å; V864-I868 HydrophobicContact CB-CD1 4.49Å; V864-I868 HydrophobicContact CG2-CD1 3.95Å; V864-I868 HydrophobicContact CG2-CG1 4.3Å; V864-I868 WeakPolarHBondContact O-CG1 3.11Å; V864-I868 PolarHBondContact O-N 2.95Å; I868-A872 VanDerWaalsContact O-CB 3.29Å; I868-A872 WeakPolarHBondContact O-CB 3.41Å; I868-A872 PolarHBondContact O-N 3.03Å
869	V	98.5	Very high	97.6	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	24%	0.243	C	C	.	.	I	π-helix	trans	-76	-49	-173.6	179.1	0	0	0	0	110.7	L851 F854 E855 A858 K865 A872 L873	L851-V869 HydrophobicContact CD2-CG1 4.39Å; F854-V869 HydrophobicContact CB-CG2 3.9Å; E855-V869 HydrophobicContact CG-CG1 4.08Å; E855-V869 HydrophobicContact CG-CG2 4.41Å; A858-V869 HydrophobicContact CB-CG2 3.75Å; K865-V869 HydrophobicContact CG-CB 3.89Å; K865-V869 HydrophobicContact CG-CG1 4.34Å; K865-V869 HydrophobicContact CG-CG2 4.17Å; K865-V869 WeakPolarHBondContact O-CB 3.35Å; K865-V869 PolarHBondContact O-N 3.36Å; V869-A872 PolarHBondContact O-N 3.43Å; V869-L873 HydrophobicContact CG1-CD1 4.06Å; V869-L873 HydrophobicContact CG1-CG 4.43Å; V869-L873 WeakPolarHBondContact O-CG 3.26Å; V869-L873 PolarHBondContact O-N 3.36Å
870	Q	97.7	Very high	97.5	Very high	89 Å²	89	43.4 Å²	43.4	42%	0.416	23%	0.228	S	C	.	.	H	α-helix	trans	-62	-47.2	-176.9	-179.3	60.8	36.1	0	0	112.1	K865 A872 L873 E874	K865-Q870 PolarHBondContact O-N 3.28Å; K865-Q870 VanDerWaalsContact O-N 3.08Å; Q870-A872 VanDerWaalsContact C-N 3.35Å; Q870-A872 PolarHBondContact O-N 3.05Å; Q870-L873 PolarHBondContact O-N 3.05Å; Q870-E874 PolarHBondContact NE2-OE1 3Å; Q870-E874 WeakPolarHBondContact O-CG 3.19Å; Q870-E874 PolarHBondContact O-N 3.45Å; Q870-E874 VanDerWaalsContact O-N 3.1Å
871	P	97.7	Very high	97.4	Very high	22 Å²	22	48.1 Å²	48.1	14%	0.143	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-39.4	173.8	-26.2	37.6	0	0	0	113.2	A796 P866 L873 E874 Q875	A796-P871 WeakPolarHBondContact O-CB 3.24Å; P866-P871 WeakPolarHBondContact O-CD 3.3Å; P871-L873 VanDerWaalsContact C-N 3.32Å; P871-L873 PolarHBondContact O-N 2.92Å; P871-E874 WeakPolarHBondContact O-CB 3.5Å; P871-E874 PolarHBondContact O-N 3.44Å; P871-Q875 WeakPolarHBondContact O-CG 3.41Å; P871-Q875 PolarHBondContact O-N 3.25Å
872	A	98	Very high	97.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-36.6	177	0	0	0	0	0	112.7	E795 I846 I850 L851 F854 I868 V869 Q870 Q875 L876	E795-A872 WeakPolarHBondContact O-CA 3.38Å; I846-A872 HydrophobicContact CG2-CB 4.49Å; I846-A872 WeakPolarHBondContact CG2-O 3.46Å; I850-A872 HydrophobicContact CG2-CB 4.08Å; L851-A872 HydrophobicContact CD2-CB 3.84Å; F854-A872 HydrophobicContact CD2-CB 4.07Å; F854-A872 HydrophobicContact CE2-CB 4.23Å; I868-A872 VanDerWaalsContact O-CB 3.29Å; I868-A872 WeakPolarHBondContact O-CB 3.41Å; I868-A872 PolarHBondContact O-N 3.03Å; V869-A872 PolarHBondContact O-N 3.43Å; Q870-A872 VanDerWaalsContact C-N 3.35Å; Q870-A872 PolarHBondContact O-N 3.05Å; A872-Q875 PolarHBondContact O-N 2.69Å; A872-L876 WeakPolarHBondContact O-CB 3.3Å; A872-L876 PolarHBondContact O-N 3.29Å
873	L	98.2	Very high	97.1	Very high	66 Å²	66	48.7 Å²	48.7	35%	0.346	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-40.5	173.3	-72.2	170	0	0	0	111.9	L851 V869 Q870 P871 L876 A877	L851-L873 HydrophobicContact CD1-CD2 3.8Å; L851-L873 HydrophobicContact CD2-CD2 3.91Å; L851-L873 HydrophobicContact CD2-CG 3.96Å; V869-L873 HydrophobicContact CG1-CD1 4.06Å; V869-L873 HydrophobicContact CG1-CG 4.43Å; V869-L873 WeakPolarHBondContact O-CG 3.26Å; V869-L873 PolarHBondContact O-N 3.36Å; Q870-L873 PolarHBondContact O-N 3.05Å; P871-L873 VanDerWaalsContact C-N 3.32Å; P871-L873 PolarHBondContact O-N 2.92Å; L873-L876 PolarHBondContact O-N 3Å; L873-A877 PolarHBondContact O-N 3.4Å
874	E	97.4	Very high	97	Very high	106 Å²	106	47.1 Å²	47.1	50%	0.495	25%	0.245	S	C	.	.	H	α-helix	trans	-64.2	-42.2	175.6	-70.1	167.5	-164.5	0	0	111.5	Q870 P871 A877 Y878	Q870-E874 PolarHBondContact NE2-OE1 3Å; Q870-E874 WeakPolarHBondContact O-CG 3.19Å; Q870-E874 PolarHBondContact O-N 3.45Å; Q870-E874 VanDerWaalsContact O-N 3.1Å; P871-E874 WeakPolarHBondContact O-CB 3.5Å; P871-E874 PolarHBondContact O-N 3.44Å; E874-A877 WeakPolarHBondContact O-CB 3.36Å; E874-A877 PolarHBondContact O-N 3.38Å; E874-Y878 PolarHBondContact O-N 2.83Å
875	Q	97	Very high	96.7	Very high	17 Å²	17	51 Å²	51	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-39.5	174.7	-65.3	-44.9	92.6	0	0	112.4	E795 I846 P871 A872 A877 Y878 Y879	E795-Q875 HydrophobicContact CB-CB 4.41Å; E795-Q875 HydrophobicContact CB-CG 4.48Å; E795-Q875 WeakPolarHBondContact O-CG 3.26Å; I846-Q875 HydrophobicContact CD1-CB 4.04Å; P871-Q875 WeakPolarHBondContact O-CG 3.41Å; P871-Q875 PolarHBondContact O-N 3.25Å; A872-Q875 PolarHBondContact O-N 2.69Å; Q875-A877 VanDerWaalsContact C-N 3.31Å; Q875-A877 PolarHBondContact O-N 2.94Å; Q875-Y878 PolarHBondContact O-N 3.36Å; Q875-Y879 WeakPolarHBondContact O-CD2 3.48Å; Q875-Y879 PolarHBondContact O-N 3.41Å
876	L	97.8	Very high	96.4	Very high	21 Å²	21	48.7 Å²	48.7	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-43.6	173.8	-179.5	58.3	0	0	0	111.3	C843 I846 R847 L851 A872 L873 T880	C843-L876 HydrophobicContact CB-CD1 4.47Å; I846-L876 HydrophobicContact CB-CB 4.48Å; I846-L876 HydrophobicContact CB-CD1 4.29Å; I846-L876 HydrophobicContact CG2-CB 3.8Å; I846-L876 HydrophobicContact CG2-CD1 4.37Å; I846-L876 HydrophobicContact CG2-CG 4.46Å; R847-L876 HydrophobicContact CB-CD1 4.36Å; R847-L876 HydrophobicContact CB-CD2 4.43Å; L851-L876 HydrophobicContact CD1-CD2 3.69Å; A872-L876 WeakPolarHBondContact O-CB 3.3Å; A872-L876 PolarHBondContact O-N 3.29Å; L873-L876 PolarHBondContact O-N 3Å; L876-T880 VanDerWaalsContact O-CB 3.26Å; L876-T880 WeakPolarHBondContact O-CB 3.14Å; L876-T880 PolarHBondContact O-N 3.45Å; L876-T880 PolarHBondContact O-OG1 2.52Å
877	A	97.7	Very high	95.9	Very high	52 Å²	52	49.1 Å²	49.1	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-47.8	176.4	0	0	0	0	0	111	L873 E874 Q875 Y879 T880 D881	L873-A877 PolarHBondContact O-N 3.4Å; E874-A877 WeakPolarHBondContact O-CB 3.36Å; E874-A877 PolarHBondContact O-N 3.38Å; Q875-A877 VanDerWaalsContact C-N 3.31Å; Q875-A877 PolarHBondContact O-N 2.94Å; A877-Y879 PolarHBondContact O-N 3.37Å; A877-T880 PolarHBondContact O-N 3.35Å; A877-D881 PolarHBondContact O-N 3.43Å
878	Y	96.8	Very high	95.5	Very high	95 Å²	95	54.1 Å²	54.1	37%	0.373	27%	0.272	S	S	.	.	H	α-helix	trans	-56.2	-50.9	177.2	171.3	-98.2	0	0	0	112.9	L799 E874 Q875 T880 D881 L882	L799-Y878 HydrophobicContact CD1-CD1 3.87Å; L799-Y878 HydrophobicContact CD1-CE1 3.58Å; L799-Y878 HydrophobicContact CD2-CD1 4.35Å; L799-Y878 HydrophobicContact CD2-CD2 4.05Å; L799-Y878 HydrophobicContact CD2-CE1 3.95Å; L799-Y878 HydrophobicContact CD2-CE2 3.61Å; L799-Y878 HydrophobicContact CD2-CG 4.4Å; L799-Y878 HydrophobicContact CG-CE1 4.44Å; E874-Y878 PolarHBondContact O-N 2.83Å; Q875-Y878 PolarHBondContact O-N 3.36Å; Y878-T880 VanDerWaalsContact C-N 3.33Å; Y878-T880 PolarHBondContact O-N 2.95Å; Y878-D881 PolarHBondContact O-N 3.19Å; Y878-L882 HydrophobicContact CE1-CD2 4.41Å; Y878-L882 WeakPolarHBondContact O-CB 3.23Å; Y878-L882 PolarHBondContact O-N 2.96Å
879	Y	96.9	Very high	94.9	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.6	-29.9	-179.7	-72.7	-64.4	0	0	0	112.8	E795 K838 Q842 C843 I846 Q875 A877 L882 H883	E795-Y879 PolarHBondContact OE1-OH 3.26Å; E795-Y879 VanDerWaalsContact OE1-OH 3.05Å; E795-Y879 WeakPolarHBondContact OE2-CE2 3.39Å; K838-Y879 HydrophobicContact CG-CE1 4.26Å; Q842-Y879 HydrophobicContact CB-CD1 3.94Å; Q842-Y879 HydrophobicContact CB-CD2 3.46Å; Q842-Y879 VanDerWaalsContact CB-CD2 3.46Å; Q842-Y879 HydrophobicContact CB-CE1 4.08Å; Q842-Y879 HydrophobicContact CB-CE2 3.6Å; Q842-Y879 HydrophobicContact CB-CG 3.62Å; Q842-Y879 HydrophobicContact CG-CD1 4.29Å; Q842-Y879 HydrophobicContact CG-CD2 4.16Å; Q842-Y879 HydrophobicContact CG-CE1 3.93Å; Q842-Y879 HydrophobicContact CG-CE2 3.78Å; Q842-Y879 HydrophobicContact CG-CG 4.39Å; C843-Y879 PolarHBondContact SG-O 2.96Å; I846-Y879 HydrophobicContact CD1-CD2 3.72Å; I846-Y879 HydrophobicContact CD1-CE2 4.1Å; Q875-Y879 WeakPolarHBondContact O-CD2 3.48Å; Q875-Y879 PolarHBondContact O-N 3.41Å; A877-Y879 PolarHBondContact O-N 3.37Å; Y879-L882 HydrophobicContact CD1-CD2 4.21Å; Y879-L882 PolarHBondContact O-N 3.42Å; Y879-H883 VanDerWaalsContact O-CB 3.23Å; Y879-H883 WeakPolarHBondContact O-CB 3.44Å; Y879-H883 PolarHBondContact O-N 3.36Å
880	T	96.8	Very high	94.2	Very high	35 Å²	35	64 Å²	64	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-64.2	-45.7	173.8	-61	0	0	0	0	110.2	C843 L876 A877 Y878 H883 N884	C843-T880 PolarHBondContact SG-N 3.48Å; C843-T880 VanDerWaalsContact SG-N 3.42Å; L876-T880 VanDerWaalsContact O-CB 3.26Å; L876-T880 WeakPolarHBondContact O-CB 3.14Å; L876-T880 PolarHBondContact O-N 3.45Å; L876-T880 PolarHBondContact O-OG1 2.52Å; A877-T880 PolarHBondContact O-N 3.35Å; Y878-T880 VanDerWaalsContact C-N 3.33Å; Y878-T880 PolarHBondContact O-N 2.95Å; T880-H883 PolarHBondContact O-N 3Å; T880-N884 WeakPolarHBondContact O-CB 3.19Å; T880-N884 PolarHBondContact O-N 3.24Å; T880-N884 PolarHBondContact O-ND2 3.33Å; T880-N884 VanDerWaalsContact O-ND2 3.15Å
881	D	96.2	Very high	93.5	Very high	99 Å²	99	64.2 Å²	64.2	53%	0.529	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-42	175.6	-75	-15.1	0	0	0	111.9	A877 Y878 N884 N885	A877-D881 PolarHBondContact O-N 3.43Å; Y878-D881 PolarHBondContact O-N 3.19Å; D881-N884 PolarHBondContact O-N 3.15Å; D881-N885 WeakPolarHBondContact O-CB 3.39Å; D881-N885 PolarHBondContact O-N 3.04Å; D881-N885 VanDerWaalsContact O-N 3.07Å; D881-N885 PolarHBondContact O-ND2 3.24Å
882	L	94.4	Very high	92.7	Very high	46 Å²	46	66.4 Å²	66.4	24%	0.241	34%	0.338	C	S	.	.	H	α-helix	trans	-60.5	-46.4	175.4	-174.9	64.7	0	0	0	111.4	Y878 Y879 N885 E886	Y878-L882 HydrophobicContact CE1-CD2 4.41Å; Y878-L882 WeakPolarHBondContact O-CB 3.23Å; Y878-L882 PolarHBondContact O-N 2.96Å; Y879-L882 HydrophobicContact CD1-CD2 4.21Å; Y879-L882 PolarHBondContact O-N 3.42Å; L882-N885 PolarHBondContact O-N 3.49Å; L882-E886 WeakPolarHBondContact O-CG 3.45Å; L882-E886 PolarHBondContact O-N 3.49Å
883	H	93.3	Very high	91.6	Very high	46 Å²	46	72.4 Å²	72.4	21%	0.213	37%	0.366	C	S	.	.	H	α-helix	trans	-60.8	-49.3	179.1	-173.2	54	0	0	0	111.7	S839 Y879 T880 N885 E886 E887	S839-H883 WeakPolarHBondContact OG-CA 3.49Å; S839-H883 PolarHBondContact OG-ND1 3.1Å; Y879-H883 VanDerWaalsContact O-CB 3.23Å; Y879-H883 WeakPolarHBondContact O-CB 3.44Å; Y879-H883 PolarHBondContact O-N 3.36Å; T880-H883 PolarHBondContact O-N 3Å; H883-N885 PolarHBondContact O-N 3.07Å; H883-E886 WeakPolarHBondContact O-CB 3.49Å; H883-E886 PolarHBondContact O-N 2.96Å; H883-E886 VanDerWaalsContact O-N 3.1Å; H883-E887 IonicContact CE1-OE1 3.62Å; H883-E887 IonicContact NE2-OE1 3.85Å; H883-E887 PolarHBondContact NE2-OE1 3.24Å; H883-E887 PolarHBondContact O-N 3.37Å
884	N	93.6	Very high	90.5	Very high	63 Å²	63	73.4 Å²	73.4	34%	0.337	37%	0.372	S	S	.	.	H	α-helix	trans	-58.9	-36	177.9	-68.6	-25	0	0	0	111.9	T880 D881 K888	T880-N884 WeakPolarHBondContact O-CB 3.19Å; T880-N884 PolarHBondContact O-N 3.24Å; T880-N884 PolarHBondContact O-ND2 3.33Å; T880-N884 VanDerWaalsContact O-ND2 3.15Å; D881-N884 PolarHBondContact O-N 3.15Å; N884-K888 WeakPolarHBondContact O-CB 3.42Å; N884-K888 VanDerWaalsContact O-CG 3.23Å; N884-K888 WeakPolarHBondContact O-CG 3.23Å; N884-K888 PolarHBondContact O-N 3.12Å; N884-K888 VanDerWaalsContact O-N 3.1Å
885	N	92.5	Very high	89.2	Confident	83 Å²	83	74.7 Å²	74.7	44%	0.444	38%	0.378	S	S	.	.	H	α-helix	trans	-72.7	-36.2	177.2	-70.8	-30.1	0	0	0	112.6	D881 L882 H883 K889	D881-N885 WeakPolarHBondContact O-CB 3.39Å; D881-N885 PolarHBondContact O-N 3.04Å; D881-N885 VanDerWaalsContact O-N 3.07Å; D881-N885 PolarHBondContact O-ND2 3.24Å; L882-N885 PolarHBondContact O-N 3.49Å; H883-N885 PolarHBondContact O-N 3.07Å; N885-K889 WeakPolarHBondContact O-CG 3.36Å; N885-K889 PolarHBondContact O-N 2.8Å; N885-K889 VanDerWaalsContact O-N 3.12Å
886	E	89.7	Confident	87.9	Confident	67 Å²	67	80.2 Å²	80.2	31%	0.313	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-43	173.8	-72.5	171.1	178.3	0	0	111.7	S839 L882 H883 K889 T890	S839-E886 WeakPolarHBondContact CB-OE2 3.38Å; S839-E886 PolarHBondContact OG-OE2 3.04Å; L882-E886 WeakPolarHBondContact O-CG 3.45Å; L882-E886 PolarHBondContact O-N 3.49Å; H883-E886 WeakPolarHBondContact O-CB 3.49Å; H883-E886 PolarHBondContact O-N 2.96Å; H883-E886 VanDerWaalsContact O-N 3.1Å; E886-K889 PolarHBondContact O-N 2.9Å; E886-T890 PolarHBondContact O-N 2.61Å; E886-T890 PolarHBondContact O-OG1 3.31Å
887	E	87.5	Confident	86.3	Confident	96 Å²	96	81.8 Å²	81.8	45%	0.449	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-43.7	175.8	-70.2	-167.3	148.9	0	0	111.9	H883 K889 T890 N891	H883-E887 IonicContact CE1-OE1 3.62Å; H883-E887 IonicContact NE2-OE1 3.85Å; H883-E887 PolarHBondContact NE2-OE1 3.24Å; H883-E887 PolarHBondContact O-N 3.37Å; E887-K889 VanDerWaalsContact C-N 3.33Å; E887-K889 PolarHBondContact O-N 3.39Å; E887-T890 PolarHBondContact O-N 2.95Å; E887-N891 WeakPolarHBondContact O-CB 3.47Å; E887-N891 VanDerWaalsContact O-CG 3.28Å; E887-N891 PolarHBondContact O-N 3.14Å; E887-N891 PolarHBondContact O-ND2 2.88Å
888	K	89.3	Confident	84.7	Confident	131 Å²	131	83.8 Å²	83.8	57%	0.57	42%	0.418	S	S	*	.	H	α-helix	trans	-59.9	-40.9	176.1	-76.9	172	-174.9	174.9	0	112.5	N884 T892	N884-K888 WeakPolarHBondContact O-CB 3.42Å; N884-K888 VanDerWaalsContact O-CG 3.23Å; N884-K888 WeakPolarHBondContact O-CG 3.23Å; N884-K888 PolarHBondContact O-N 3.12Å; N884-K888 VanDerWaalsContact O-N 3.1Å; K888-T892 WeakPolarHBondContact O-CB 3.42Å; K888-T892 PolarHBondContact O-N 3.4Å; K888-T892 PolarHBondContact O-OG1 3.44Å
889	K	86.7	Confident	83.1	Confident	140 Å²	140	83 Å²	83	61%	0.609	42%	0.423	S	S	*	.	H	α-helix	trans	-64.4	-48.2	176.7	-75.8	177.4	-179.3	-178.8	0	111.3	N885 E886 E887 N891 T892 E893	N885-K889 WeakPolarHBondContact O-CG 3.36Å; N885-K889 PolarHBondContact O-N 2.8Å; N885-K889 VanDerWaalsContact O-N 3.12Å; E886-K889 PolarHBondContact O-N 2.9Å; E887-K889 VanDerWaalsContact C-N 3.33Å; E887-K889 PolarHBondContact O-N 3.39Å; K889-N891 VanDerWaalsContact C-N 3.32Å; K889-N891 PolarHBondContact O-N 3.1Å; K889-T892 PolarHBondContact O-N 3.17Å; K889-T892 VanDerWaalsContact O-N 3.13Å; K889-E893 WeakPolarHBondContact O-CG 3.45Å; K889-E893 PolarHBondContact O-N 3.38Å
890	T	83.7	Confident	81.2	Confident	71 Å²	71	87.8 Å²	87.8	44%	0.436	45%	0.448	S	S	.	.	H	α-helix	trans	-58.1	-44.4	177.4	-48.6	0	0	0	0	111.5	E886 E887 T892 E893 N894	E886-T890 PolarHBondContact O-N 2.61Å; E886-T890 PolarHBondContact O-OG1 3.31Å; E887-T890 PolarHBondContact O-N 2.95Å; T890-T892 PolarHBondContact O-N 3.35Å; T890-E893 PolarHBondContact O-N 3.13Å; T890-N894 WeakPolarHBondContact O-CB 3.31Å; T890-N894 VanDerWaalsContact O-CG 3.25Å; T890-N894 PolarHBondContact O-N 3.05Å; T890-N894 PolarHBondContact O-ND2 3.43Å
891	N	81.7	Confident	79.1	Confident	93 Å²	93	92.9 Å²	92.9	50%	0.497	47%	0.47	S	S	.	.	H	α-helix	trans	-65.7	-37.8	177.1	-71.6	-20.2	0	0	0	112.6	E887 K889 Q895	E887-N891 WeakPolarHBondContact O-CB 3.47Å; E887-N891 VanDerWaalsContact O-CG 3.28Å; E887-N891 PolarHBondContact O-N 3.14Å; E887-N891 PolarHBondContact O-ND2 2.88Å; K889-N891 VanDerWaalsContact C-N 3.32Å; K889-N891 PolarHBondContact O-N 3.1Å; N891-Q895 VanDerWaalsContact O-CG 3.31Å; N891-Q895 WeakPolarHBondContact O-CG 3.42Å; N891-Q895 PolarHBondContact O-N 3.38Å
892	T	81.4	Confident	77.1	Confident	67 Å²	67	95.4 Å²	95.4	41%	0.411	48%	0.478	S	S	.	.	H	α-helix	trans	-69.1	-38.3	177.1	-54.2	0	0	0	0	111.6	K888 K889 T890 Q895 K896	K888-T892 WeakPolarHBondContact O-CB 3.42Å; K888-T892 PolarHBondContact O-N 3.4Å; K888-T892 PolarHBondContact O-OG1 3.44Å; K889-T892 PolarHBondContact O-N 3.17Å; K889-T892 VanDerWaalsContact O-N 3.13Å; T890-T892 PolarHBondContact O-N 3.35Å; T892-Q895 PolarHBondContact O-N 3.37Å; T892-K896 WeakPolarHBondContact O-CG 3.42Å; T892-K896 PolarHBondContact O-N 3.08Å; T892-K896 VanDerWaalsContact O-N 3.08Å
893	E	75.8	Confident	75.1	Confident	126 Å²	126	99.8 Å²	99.8	59%	0.589	50%	0.497	S	S	*	.	H	α-helix	trans	-67	-44.1	176.3	-73.9	172.3	-171.8	0	0	111.4	K889 T890 Q895 K896 S897	K889-E893 WeakPolarHBondContact O-CG 3.45Å; K889-E893 PolarHBondContact O-N 3.38Å; T890-E893 PolarHBondContact O-N 3.13Å; E893-Q895 VanDerWaalsContact C-N 3.3Å; E893-Q895 PolarHBondContact O-N 2.72Å; E893-K896 PolarHBondContact O-N 2.98Å; E893-K896 VanDerWaalsContact O-N 3.14Å; E893-S897 PolarHBondContact O-N 3.38Å; E893-S897 PolarHBondContact O-OG 2.97Å
894	N	73.4	Confident	73	Confident	87 Å²	87	103.8 Å²	103.8	47%	0.465	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-34.1	174.8	-70.8	-18	0	0	0	112.7	T890 S897 N898	T890-N894 WeakPolarHBondContact O-CB 3.31Å; T890-N894 VanDerWaalsContact O-CG 3.25Å; T890-N894 PolarHBondContact O-N 3.05Å; T890-N894 PolarHBondContact O-ND2 3.43Å; N894-S897 WeakPolarHBondContact CA-OG 3.4Å; N894-S897 PolarHBondContact O-OG 3.41Å; N894-N898 WeakPolarHBondContact O-CB 3.46Å; N894-N898 PolarHBondContact O-N 3.09Å; N894-N898 PolarHBondContact O-ND2 3.48Å; N894-N898 PolarHBondContact O-OD1 3.4Å
895	Q	70.4	Confident	70.8	Confident	134 Å²	134	103.4 Å²	103.4	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-70.2	-36.3	173.8	-75.7	176.3	4.9	0	0	112.5	N891 T892 E893 T899	N891-Q895 VanDerWaalsContact O-CG 3.31Å; N891-Q895 WeakPolarHBondContact O-CG 3.42Å; N891-Q895 PolarHBondContact O-N 3.38Å; T892-Q895 PolarHBondContact O-N 3.37Å; E893-Q895 VanDerWaalsContact C-N 3.3Å; E893-Q895 PolarHBondContact O-N 2.72Å; Q895-T899 PolarHBondContact O-N 3.13Å; Q895-T899 VanDerWaalsContact O-N 3.07Å; Q895-T899 PolarHBondContact O-OG1 3.16Å
896	K	71.1	Confident	68.6	Low	133 Å²	133	106.2 Å²	106.2	58%	0.578	55%	0.546	S	S	*	.	H	α-helix	trans	-70	-38.4	176.3	-75.6	178.6	-180	-180	0	112.7	T892 E893 T899 N900	T892-K896 WeakPolarHBondContact O-CG 3.42Å; T892-K896 PolarHBondContact O-N 3.08Å; T892-K896 VanDerWaalsContact O-N 3.08Å; E893-K896 PolarHBondContact O-N 2.98Å; E893-K896 VanDerWaalsContact O-N 3.14Å; K896-T899 WeakPolarHBondContact CA-OG1 3.33Å; K896-T899 PolarHBondContact O-N 3.49Å; K896-T899 PolarHBondContact O-OG1 3.16Å; K896-N900 PolarHBondContact O-N 3.36Å; K896-N900 VanDerWaalsContact O-N 3.13Å; K896-N900 PolarHBondContact O-ND2 3.25Å
897	S	64.1	Low	66.5	Low	53 Å²	53	109.6 Å²	109.6	37%	0.371	57%	0.567	S	S	.	*	H	α-helix	trans	-64.1	-43.4	173.9	54.2	0	0	0	0	111.3	E893 N894 T899 N900 E901	E893-S897 PolarHBondContact O-N 3.38Å; E893-S897 PolarHBondContact O-OG 2.97Å; N894-S897 WeakPolarHBondContact CA-OG 3.4Å; N894-S897 PolarHBondContact O-OG 3.41Å; S897-T899 VanDerWaalsContact C-N 3.34Å; S897-T899 PolarHBondContact O-N 3.2Å; S897-N900 PolarHBondContact O-N 3.41Å; S897-E901 PolarHBondContact O-N 2.89Å; S897-E901 VanDerWaalsContact O-N 3.09Å
898	N	64.1	Low	64.4	Low	95 Å²	95	112 Å²	112	51%	0.508	58%	0.582	S	S	.	*	H	α-helix	trans	-67.6	-32.1	179.6	-67.7	-2.7	0	0	0	112.8	N894 H902	N894-N898 WeakPolarHBondContact O-CB 3.46Å; N894-N898 PolarHBondContact O-N 3.09Å; N894-N898 PolarHBondContact O-ND2 3.48Å; N894-N898 PolarHBondContact O-OD1 3.4Å; N898-H902 PolarHBondContact O-N 3.35Å
899	T	61.7	Low	62.2	Low	79 Å²	79	113 Å²	113	49%	0.485	59%	0.594	S	S	.	*	H	α-helix	trans	-74.5	-33.1	175.2	31.2	0	0	0	0	112.9	Q895 K896 S897 H902 Q903	Q895-T899 PolarHBondContact O-N 3.13Å; Q895-T899 VanDerWaalsContact O-N 3.07Å; Q895-T899 PolarHBondContact O-OG1 3.16Å; K896-T899 WeakPolarHBondContact CA-OG1 3.33Å; K896-T899 PolarHBondContact O-N 3.49Å; K896-T899 PolarHBondContact O-OG1 3.16Å; S897-T899 VanDerWaalsContact C-N 3.34Å; S897-T899 PolarHBondContact O-N 3.2Å; T899-H902 PolarHBondContact O-N 3.22Å; T899-Q903 PolarHBondContact O-N 3.07Å
900	N	57.9	Low	60.1	Low	99 Å²	99	115 Å²	115	53%	0.529	61%	0.605	S	S	.	*	H	α-helix	trans	-72.6	-32.3	175.5	-73.3	-18.7	0	0	0	112.9	K896 S897 Q903 N904	K896-N900 PolarHBondContact O-N 3.36Å; K896-N900 VanDerWaalsContact O-N 3.13Å; K896-N900 PolarHBondContact O-ND2 3.25Å; S897-N900 PolarHBondContact O-N 3.41Å; N900-Q903 PolarHBondContact O-N 3.29Å; N900-N904 PolarHBondContact O-N 2.72Å; N900-N904 VanDerWaalsContact O-N 3.16Å
901	E	53.5	Low	58	Low	143 Å²	143	119.4 Å²	119.4	67%	0.668	63%	0.626	S	S	*	*	H	α-helix	trans	-68.7	-33.7	172.8	-74.3	-171.8	164.2	0	0	112.5	S897 G905	S897-E901 PolarHBondContact O-N 2.89Å; S897-E901 VanDerWaalsContact O-N 3.09Å; E901-G905 PolarHBondContact O-N 3.45Å
902	H	52.9	Low	55.9	Low	152 Å²	152	124.1 Å²	124.1	70%	0.704	65%	0.645	S	S	*	*	H	α-helix	trans	-73.6	-24.1	174.1	-81.1	-31.9	0	0	0	114.3	N898 T899	N898-H902 PolarHBondContact O-N 3.35Å; T899-H902 PolarHBondContact O-N 3.22Å
903	Q	52.1	Low	54	Low	138 Å²	138	131 Å²	131	65%	0.645	67%	0.669	S	S	*	*	H	α-helix	trans	-83.4	-29.1	174.6	-72.2	-174.7	-2.9	0	0	113.2	T899 N900	T899-Q903 PolarHBondContact O-N 3.07Å; N900-Q903 PolarHBondContact O-N 3.29Å
904	N	50.2	Low	52.2	Low	129 Å²	129	133.5 Å²	133.5	69%	0.69	68%	0.681	S	S	*	*	H	α-helix	trans	-82.6	-13.3	174.7	-87.8	-16.9	0	0	0	114.3	N900	N900-N904 PolarHBondContact O-N 2.72Å; N900-N904 VanDerWaalsContact O-N 3.16Å
905	G	47.2	Very low	50.6	Low	56 Å²	56	138.3 Å²	138.3	58%	0.577	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-13.8	174.8	0	0	0	0	0	115.3	E901	E901-G905 PolarHBondContact O-N 3.45Å
906	N	47.3	Very low	49	Very low	141 Å²	141	137.2 Å²	137.2	75%	0.754	71%	0.708	S	S	*	*	S	Bend	trans	-103.8	4.6	-172.4	-99.6	-7.3	0	0	0	115.3
907	N	44.7	Very low	47.2	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	74%	0.738	S	S	*	*	S	Bend	trans	-107.2	13.6	-178.9	-84.7	-14.8	0	0	0	115.3
908	N	43.4	Very low	46.4	Very low	145 Å²	145	148.8 Å²	148.8	78%	0.775	76%	0.756	S	S	*	*	S	Bend	trans	-110.5	17.9	-178.9	-79.7	-11	0	0	0	115.3
909	N	43.5	Very low	45.4	Very low	153 Å²	153	151.6 Å²	151.6	82%	0.818	77%	0.769	S	S	*	*	S	Bend	trans	-123.2	40.2	-178	-85.5	-16.7	0	0	0	114.1
910	H	42.8	Very low	44.5	Very low	181 Å²	181	155.6 Å²	155.6	84%	0.838	79%	0.785	S	S	*	*	S	Bend	trans	-153.3	89.9	166.3	-87.2	-46.2	0	0	0	108.9
911	N	39.6	Very low	43.8	Very low	164 Å²	164	158.9 Å²	158.9	88%	0.877	80%	0.8	S	S	*	*	S	Bend	trans	163.1	69.5	154.3	-83.4	-18.5	0	0	0	110.1
912	E	37.8	Very low	43.1	Very low	193 Å²	193	159.9 Å²	159.9	90%	0.902	81%	0.809	S	S	*	*			trans	-163.3	58.8	168.7	-115.1	173.3	-148	0	0	110.3
913	K	41.3	Very low	42.5	Very low	210 Å²	210	160.5 Å²	160.5	91%	0.913	82%	0.816	S	S	*	*			trans	-148.3	51.4	169.4	-89.1	-164.3	-179.4	176.3	0	111.9
914	E	36.9	Very low	41.8	Very low	179 Å²	179	162.1 Å²	162.1	84%	0.836	83%	0.828	S	S	*	*			trans	-148.5	92.1	158.7	-76.6	-166.7	159	0	0	108
915	H	39.4	Very low	41.2	Very low	189 Å²	189	164.6 Å²	164.6	88%	0.875	84%	0.838	S	S	*	*	S	Bend	trans	167.7	128.1	142	-90.2	18.5	0	0	0	111
916	S	37.7	Very low	40.7	Very low	111 Å²	111	173.7 Å²	173.7	78%	0.776	86%	0.86	S	S	*	*			trans	81.1	102.1	160.6	-176.7	0	0	0	0	119.7
917	K	33.7	Very low	40.1	Very low	279 Å²	279	176.6 Å²	176.6	100%	1.213	87%	0.87	S	S	*	*			trans	78.3	0	155.1	-73.7	-176	177.7	177.7	0	119.5

Retrieved 917 of 917 residues in 1413.4 ms (Link to these results)

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