X5DQT2_HUMAN Loading...

Ca++-dependent secretion activator 2 isoform E

AlphaFold DB , UniProt , Accession X5DQT2, Species HUMAN (Homo sapiens, Human), Gene CADPS2, Length 1,253 aa.

						>X5DQT2_HUMAN|X5DQT2|CADPS2
MLDPSSSEEESDEGLEEESRDVLVAAGSSQRAPPAPTREGRRDAPGRAGGGGAARSVSPSPSVLSEGRDEPQRQLDDEQERRIRLQLYVFVVRCIAYPFNAKQPTDMARRQQKLNKQQLQLLKERFQAFLNGETQIVADEAFCNAVRSYYEVFLKSDRVARMVQSGGCSANDFREVFKKNIEKRVRSLPEIDGLSKETVLSSWIAKYDAIYRGEEDLCKQPNRMALSAVSELILSKEQLYEMFQQILGIKKLEHQLLYNACQLDNADEQAAQIRRELDGRLQLADKMAKERKFPKFIAKDMENMYIEELRSSVNLLMANLESLPVSKGGPEFKLQKLKRSQNSAFLDIGDENEIQLSKSDVVLSFTLEIVIMEVQGLKSVAPNRIVYCTMEVEGEKLQTDQAEASRPQWGTQGDFTTTHPRPVVKVKLFTESTGVLALEDKELGRVILYPTSNSSKSAELHRMVVPKNSQDSDLKIKLAVRMDKPAHMKHSGYLYALGQKVWKRWKKRYFVLVQVSQYTFAMCNYREKKSEPQELMQLEGYTVDYTDPHPGLQGGCMFFNAVKEGDTVIFASDDEQDRILWVQAMYRATGQSYKPVPAIQTQKLNPKGGTLHADAQLSGKDADRFQKHGMDEFISANPCKLDHAFLFRILQRQTLDHRLNDSYSCLGWFSPGQVFVLDEYCARYGVRGCHRHLCYLAELMEHSENGAVIDPTLLHYSFAFCASHVHGNRPDGIGTVSVEEKERFEEIKERLSSLLENQISHFRYCFPFGRPEGALKATLSLLERVLMKDIATPIPAEEVKKVVRKCLEKAALINYTRLTEYAKIEETMNQASPARKLEEILHLAELCIEVLQQNEEHHAEAFAWWPDLLAEHAEKFWALFTVDMDTALEAQPQDSWDSFPLFQLLNNFLRNDTLLCNGKFHKHLQEIFVPLVVRYVDLMESSIAQSIHRGFEQETWQPVNNGSATSEDLFWKLDALQMFVFDLHWPEQEFAHHLEQRLKLMASDMLEACVKRTRTAFELKLQKASKTTDLRIPASVCTMFNVLVDAKKQSTKLCALDGGQEQQYHSKIDDLIDNSVKEIISLLVSKFVSVLEGVLSKLSRYDEGTFFSSILSFTVKAAAKYVDVPKPGMDLADTYIMFVRQNQDILREKVNEEMYIEKLFDQWYSSSMKVICVWLTDRLDLQLHIYQLKTLIKIVKKTYRDFRLQGVLEGTLNSKTYDTVHRRLTVEEATASVSEGGGLQGITMKDSDEEEEG
					

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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	31.8	Very low	27.8	Very low	237 Å²	237	141.2 Å²	141.2	100%	1.167	79%	0.786	S	S	*	*				0	113.6	0	-137.5	178.9	175.5	0	0	105.4
2	L	26.8	Very low	27.4	Very low	165 Å²	165	143 Å²	143	86%	0.864	79%	0.794	S	S	*	*			trans	50	110.1	167.5	-58.4	173.5	0	0	0	118.9
3	D	32.1	Very low	27.2	Very low	149 Å²	149	146.5 Å²	146.5	80%	0.797	80%	0.8	S	S	*	*			trans	-64.3	167.4	143.4	-53.9	-73.3	0	0	0	110.6
4	P	39.1	Very low	27	Very low	117 Å²	117	141.4 Å²	141.4	76%	0.76	80%	0.798	S	S	*	*				-134.5	158.5	94.7	31.2	-13.9	0	0	0	112.2
5	S	23.8	Very low	27	Very low	111 Å²	111	143.7 Å²	143.7	78%	0.776	81%	0.806	S	S	*	*			cis	66.1	139.3	46.6	-169.6	0	0	0	0	111.8
6	S	26.4	Very low	26.7	Very low	94 Å²	94	147.3 Å²	147.3	66%	0.657	82%	0.815	S	S	*	*			cis	-138.3	-156	-4.1	-148.7	0	0	0	0	107.8
7	S	26.2	Very low	26.6	Very low	91 Å²	91	149.7 Å²	149.7	64%	0.636	82%	0.819	S	S	*	*			cis	-162.3	142.1	6	36.6	0	0	0	0	111.2
8	E	24.7	Very low	26.4	Very low	147 Å²	147	150.9 Å²	150.9	69%	0.687	82%	0.818	S	S	*	*				39.7	131.5	127.9	-61.3	138.3	171.7	0	0	122.9
9	E	24.8	Very low	26.2	Very low	166 Å²	166	146.7 Å²	146.7	78%	0.776	80%	0.801	S	S	*	*				64.8	151.1	124.5	-61.8	170.2	-177	0	0	120.7
10	E	23.5	Very low	26.2	Very low	172 Å²	172	149.8 Å²	149.8	80%	0.804	80%	0.8	S	S	*	*			cis	-148.5	-166.4	-8.7	-133.5	-176.6	177.5	0	0	111.4
11	S	26.7	Very low	26.1	Very low	104 Å²	104	149.7 Å²	149.7	73%	0.727	80%	0.799	S	S	*	*			trans	-71.3	158.2	-176.1	54.9	0	0	0	0	116.8
12	D	22.8	Very low	25.8	Very low	163 Å²	163	144 Å²	144	87%	0.872	78%	0.778	S	S	*	*			trans	-146.9	156	139.6	-154	-4.1	0	0	0	110.7
13	E	25.2	Very low	25.7	Very low	188 Å²	188	143.2 Å²	143.2	88%	0.879	77%	0.774	S	S	*	*			trans	-105.8	-176.8	179.7	-64.8	-166.1	133.4	0	0	111.8
14	G	24	Very low	25.3	Very low	75 Å²	75	142.4 Å²	142.4	77%	0.773	77%	0.774	S	S	*	*			trans	119.9	82.6	154.6	0	0	0	0	0	118.1
15	L	27.3	Very low	24.6	Very low	176 Å²	176	141.1 Å²	141.1	92%	0.921	77%	0.773	S	S	*	*			trans	-25.9	147.3	155	-58.6	161.1	0	0	0	117.9
16	E	22.8	Very low	24.7	Very low	202 Å²	202	141.1 Å²	141.1	94%	0.944	78%	0.78	S	S	*	*				-159.8	161.4	126.3	-118.4	175	-161.9	0	0	112.9
17	E	24.9	Very low	24.6	Very low	188 Å²	188	139.9 Å²	139.9	88%	0.879	78%	0.782	S	S	*	*			trans	-109.1	161.6	-173.5	-60.1	-175.7	105.2	0	0	113.7
18	E	23.1	Very low	24.4	Very low	171 Å²	171	141 Å²	141	80%	0.799	79%	0.79	S	S	*	*			trans	161.7	148.1	143.4	-89.6	-115	99.6	0	0	110.7
19	S	22.4	Very low	24.3	Very low	71 Å²	71	139.4 Å²	139.4	50%	0.497	80%	0.795	S	S	.	*			cis	-164.7	146.6	-13.9	-147.4	0	0	0	0	111.5
20	R	24.7	Very low	24.3	Very low	209 Å²	209	140.7 Å²	140.7	79%	0.789	80%	0.801	S	S	*	*			trans	61.7	115.4	146.3	-75.1	170.4	177.5	143.5	5.1	124.3
21	D	24.5	Very low	24.3	Very low	147 Å²	147	144.7 Å²	144.7	79%	0.786	81%	0.808	S	S	*	*				57.5	145.8	103	-89.2	-22.5	0	0	0	122.3
22	V	25.6	Very low	24.2	Very low	117 Å²	117	143.9 Å²	143.9	71%	0.709	81%	0.808	S	S	*	*			cis	-153.5	169.5	11.5	-153.4	0	0	0	0	112.2
23	L	24.2	Very low	25.4	Very low	149 Å²	149	141.8 Å²	141.8	78%	0.78	80%	0.804	S	S	*	*			trans	84.3	121	159.2	-59.4	174.3	0	0	0	118.6
24	V	24.9	Very low	26.2	Very low	133 Å²	133	138.6 Å²	138.6	81%	0.806	80%	0.799	S	S	*	*			cis	90.4	122.9	46.5	166.1	0	0	0	0	112.8
25	A	25.2	Very low	26.2	Very low	89 Å²	89	139.3 Å²	139.3	74%	0.736	80%	0.797	S	S	*	*			cis	-165.1	165.6	-6.3	0	0	0	0	0	115.1
26	A	25	Very low	27.2	Very low	111 Å²	111	136.4 Å²	136.4	92%	0.917	79%	0.789	S	S	*	*			trans	66.3	133.5	149	0	0	0	0	0	123.2
27	G	23.4	Very low	27.5	Very low	68 Å²	68	132.3 Å²	132.3	70%	0.701	78%	0.778	S	S	*	*			trans	146.2	70.1	138.8	0	0	0	0	0	122.9
28	S	22.4	Very low	27.7	Very low	116 Å²	116	133.3 Å²	133.3	81%	0.811	77%	0.774	S	S	*	*			trans	65.3	128.4	146.6	68.4	0	0	0	0	124.2
29	S	22.9	Very low	28	Very low	112 Å²	112	130.6 Å²	130.6	78%	0.783	76%	0.761	S	S	*	*			trans	67.6	121.5	130.2	-62.2	0	0	0	0	125.8
30	Q	25.9	Very low	28.3	Very low	193 Å²	193	130.7 Å²	130.7	90%	0.902	77%	0.773	S	S	*	*			trans	72.1	126.9	140.7	-67.2	-172	-4.7	0	0	123.4
31	R	21.9	Very low	28.5	Very low	256 Å²	256	129.7 Å²	129.7	97%	0.966	77%	0.77	S	S	*	*			trans	-156.8	166.6	143.8	-133.2	172.7	-178.4	172.9	0.4	112.4
32	A	24.7	Very low	28.8	Very low	87 Å²	87	133 Å²	133	72%	0.719	77%	0.771	S	S	*	*			trans	-141	-163.9	-173.5	0	0	0	0	0	109.4
33	P	48.1	Very low	28.9	Very low	120 Å²	120	134.2 Å²	134.2	78%	0.779	77%	0.773	S	S	*	*			cis	-113.6	-113.5	-9.7	30.7	-6.1	0	0	0	111.5
34	P	42.4	Very low	28.9	Very low	121 Å²	121	131.5 Å²	131.5	79%	0.786	77%	0.772	S	S	*	*			cis	-117.1	-141.1	7.8	44.5	-28.7	0	0	0	114.3
35	A	24.8	Very low	29.7	Very low	89 Å²	89	131.3 Å²	131.3	74%	0.736	77%	0.774	S	S	*	*			trans	-154.8	-173.5	178.8	0	0	0	0	0	109.9
36	P	47.1	Very low	29.6	Very low	116 Å²	116	130.5 Å²	130.5	75%	0.753	77%	0.774	S	S	*	*				-142.1	-159.5	50.5	36.6	-11.2	0	0	0	113.4
37	T	28.5	Very low	29.7	Very low	115 Å²	115	137.6 Å²	137.6	71%	0.706	78%	0.777	S	S	*	*			cis	-157.6	163.4	5.3	-18.6	0	0	0	0	112.6
38	R	31	Very low	29.9	Very low	210 Å²	210	139.3 Å²	139.3	79%	0.792	79%	0.785	S	S	*	*			trans	8.2	154.5	142.6	-74.6	-177.3	118.6	146.5	5.5	122.8
39	E	28.4	Very low	30.1	Very low	113 Å²	113	137.7 Å²	137.7	53%	0.528	79%	0.786	S	S	.	*			cis	-179.9	155.4	-14.4	-157.5	-177.5	-46.8	0	0	105.3	R41	E39-R41 IonicContact OE2-CZ 2.71Å; E39-R41 IonicContact OE2-NE 2.68Å; E39-R41 PolarHBondContact OE2-NE 2.86Å; E39-R41 IonicContact OE2-NH2 2.95Å; E39-R41 PolarHBondContact OE2-NH2 2.92Å
40	G	28.3	Very low	30.3	Very low	73 Å²	73	136.3 Å²	136.3	75%	0.753	79%	0.79	S	S	*	*			cis	178.1	-158	0.3	0	0	0	0	0	106
41	R	30.5	Very low	30.3	Very low	189 Å²	189	131.3 Å²	131.3	71%	0.713	79%	0.79	S	S	*	*			cis	-163.7	139.9	-5.8	-64.7	180	176.3	-172.1	-0.9	109.1	E39	E39-R41 IonicContact OE2-CZ 2.71Å; E39-R41 IonicContact OE2-NE 2.68Å; E39-R41 PolarHBondContact OE2-NE 2.86Å; E39-R41 IonicContact OE2-NH2 2.95Å; E39-R41 PolarHBondContact OE2-NH2 2.92Å
42	R	29.9	Very low	30.5	Very low	217 Å²	217	122.8 Å²	122.8	82%	0.819	78%	0.782	S	S	*	*			trans	60.8	152.5	145.7	-66	-175.8	-173.9	-164.1	1.3	120.6
43	D	26.7	Very low	30.7	Very low	141 Å²	141	123.5 Å²	123.5	75%	0.754	79%	0.788	S	S	*	*			cis	-151.6	173.3	-11.3	-94	-29.4	0	0	0	109.2
44	A	24.2	Very low	29.7	Very low	92 Å²	92	122.2 Å²	122.2	76%	0.76	79%	0.787	S	S	*	*			trans	-108.3	-165.7	-171.7	0	0	0	0	0	112.6
45	P	43.1	Very low	29	Very low	130 Å²	130	128.1 Å²	128.1	84%	0.844	79%	0.794	S	S	*	*			cis	-140.2	176	-7	42.4	-24.8	0	0	0	117.2
46	G	23.5	Very low	28.9	Very low	71 Å²	71	128.5 Å²	128.5	73%	0.732	79%	0.791	S	S	*	*				121.6	114.8	127.3	0	0	0	0	0	120.5
47	R	26.8	Very low	27.9	Very low	261 Å²	261	129 Å²	129	99%	0.985	79%	0.792	S	S	*	*			trans	-171.1	162.8	137.9	-110.5	173.6	-176.5	-171.3	0.5	111.5
48	A	27	Very low	28	Very low	104 Å²	104	128.8 Å²	128.8	86%	0.86	80%	0.795	S	S	*	*			trans	-128.1	147.4	170.9	0	0	0	0	0	109.6
49	G	26.4	Very low	28	Very low	81 Å²	81	124.7 Å²	124.7	84%	0.835	80%	0.796	S	S	*	*			trans	160.9	68	176	0	0	0	0	0	118.4
50	G	26.3	Very low	27.9	Very low	84 Å²	84	125 Å²	125	87%	0.866	81%	0.81	S	S	*	*			trans	82	127.2	141.9	0	0	0	0	0	121.8
51	G	26.3	Very low	28.3	Very low	87 Å²	87	127.2 Å²	127.2	90%	0.897	81%	0.811	S	S	*	*			trans	101.6	136.9	137.8	0	0	0	0	0	119.5
52	G	26.3	Very low	28.3	Very low	78 Å²	78	123.6 Å²	123.6	80%	0.804	82%	0.815	S	S	*	*			trans	119.2	102.8	147.7	0	0	0	0	0	119.6
53	A	28.2	Very low	28.8	Very low	102 Å²	102	118.5 Å²	118.5	84%	0.843	81%	0.808	S	S	*	*			trans	45.8	120.2	139.3	0	0	0	0	0	123.9
54	A	28.7	Very low	29.3	Very low	92 Å²	92	120.3 Å²	120.3	76%	0.76	82%	0.816	S	S	*	*				59.3	120.6	129.6	0	0	0	0	0	123.8
55	R	26.1	Very low	29.9	Very low	245 Å²	245	120 Å²	120	93%	0.925	81%	0.809	S	S	*	*			trans	66.3	144.8	151.7	-72.6	-178.4	176	169.5	-1.7	117.2
56	S	24.1	Very low	29.6	Very low	98 Å²	98	118.6 Å²	118.6	69%	0.685	79%	0.791	S	S	*	*			cis	-167.7	172.6	-4.6	41.4	0	0	0	0	111.8
57	V	25	Very low	30.5	Very low	127 Å²	127	118.3 Å²	118.3	77%	0.77	79%	0.788	S	S	*	*			trans	86.1	117.1	163.2	-173	0	0	0	0	117.8
58	S	30.9	Very low	31.3	Very low	109 Å²	109	116.4 Å²	116.4	76%	0.762	78%	0.781	S	S	*	*			trans	53.4	131.7	153.7	-57	0	0	0	0	122.1
59	P	30.3	Very low	32.2	Very low	125 Å²	125	115 Å²	115	81%	0.812	76%	0.759	S	S	*	*				-133	136.6	129.7	36.5	-25.9	0	0	0	113.7
60	S	26.6	Very low	33.3	Very low	120 Å²	120	115.8 Å²	115.8	84%	0.839	74%	0.741	S	S	*	*			trans	-155.3	139.3	162.2	-88.6	0	0	0	0	108.7
61	P	37.4	Very low	34.7	Very low	119 Å²	119	115.2 Å²	115.2	77%	0.773	72%	0.722	S	S	*	*				-122.3	143.5	-52.9	35.1	-24.5	0	0	0	111.2
62	S	29.5	Very low	36.2	Very low	113 Å²	113	117.3 Å²	117.3	79%	0.79	71%	0.708	S	S	*	*			trans	-120.7	116.2	178.1	45	0	0	0	0	112	L64	S62-L64 PolarHBondContact O-N 2.69Å
63	V	41.8	Very low	37.8	Very low	110 Å²	110	119.5 Å²	119.5	67%	0.667	69%	0.692	S	S	*	*	S	Bend	trans	-83.1	50	-161.3	-163.4	0	0	0	0	112.8	E66	V63-E66 WeakPolarHBondContact CG1-OE2 3.46Å
64	L	37.7	Very low	39.5	Very low	178 Å²	178	120.5 Å²	120.5	93%	0.932	68%	0.68	S	S	*	*	S	Bend	trans	-139.9	33.3	-178.7	-73.2	177.6	0	0	0	113.6	S62	S62-L64 PolarHBondContact O-N 2.69Å
65	S	35.6	Very low	41.2	Very low	87 Å²	87	121.6 Å²	121.6	61%	0.608	67%	0.672	S	S	*	*	S	Bend	trans	-132.8	6.7	173.8	-165.6	0	0	0	0	114.8
66	E	37.3	Very low	43.3	Very low	100 Å²	100	114.2 Å²	114.2	47%	0.467	65%	0.651	S	S	.	*	H	α-helix	trans	-78.3	-39.7	-168.7	-62.3	-175.5	112.7	0	0	113.2	V63 R68 D69 E70	V63-E66 WeakPolarHBondContact CG1-OE2 3.46Å; E66-R68 PolarHBondContact O-N 2.95Å; E66-D69 PolarHBondContact O-N 3.5Å; E66-D69 VanDerWaalsContact O-N 3.14Å; E66-E70 WeakPolarHBondContact O-CG 3.46Å; E66-E70 PolarHBondContact O-N 2.9Å; E66-E70 VanDerWaalsContact O-N 3.11Å
67	G	41.6	Very low	45.8	Very low	65 Å²	65	114.6 Å²	114.6	67%	0.67	65%	0.645	S	S	*	*	H	α-helix	trans	-69.1	25.3	-176.1	0	0	0	0	0	117.4
68	R	44.4	Very low	48.4	Very low	220 Å²	220	112.4 Å²	112.4	83%	0.83	63%	0.626	S	S	*	*	H	α-helix	trans	-128.6	-31.8	165	-82	-168.6	177.3	-174.4	0.4	113.3	E66	E66-R68 PolarHBondContact O-N 2.95Å
69	D	44.9	Very low	50.7	Low	74 Å²	74	113.1 Å²	113.1	40%	0.396	62%	0.618	S	S	.	*	H	α-helix	trans	-85.7	-25.9	176.4	-66.4	-2.8	0	0	0	112.1	E66 Q72 R73	E66-D69 PolarHBondContact O-N 3.5Å; E66-D69 VanDerWaalsContact O-N 3.14Å; D69-Q72 WeakPolarHBondContact O-CA 3.46Å; D69-Q72 WeakPolarHBondContact O-CB 3.38Å; D69-Q72 PolarHBondContact O-N 3.29Å; D69-R73 WeakPolarHBondContact O-CG 3.38Å; D69-R73 PolarHBondContact O-N 3.37Å; D69-R73 IonicContact OD2-CZ 2.71Å; D69-R73 IonicContact OD2-NH2 3.34Å; D69-R73 PolarHBondContact OD2-NH2 3.42Å
70	E	50	Low	53.2	Low	99 Å²	99	109.9 Å²	109.9	46%	0.463	59%	0.592	S	S	.	*	H	α-helix	trans	-43.3	-53.5	176.8	-85.4	179.3	151.3	0	0	114.8	E66 Q72 R73 Q74	E66-E70 WeakPolarHBondContact O-CG 3.46Å; E66-E70 PolarHBondContact O-N 2.9Å; E66-E70 VanDerWaalsContact O-N 3.11Å; E70-Q72 VanDerWaalsContact C-N 3.26Å; E70-Q72 PolarHBondContact O-N 3.1Å; E70-R73 PolarHBondContact O-N 3.26Å; E70-Q74 WeakPolarHBondContact O-CB 3.45Å; E70-Q74 WeakPolarHBondContact O-CG 3.24Å; E70-Q74 PolarHBondContact O-N 3.46Å
71	P	57.1	Low	55.9	Low	72 Å²	72	108.8 Å²	108.8	47%	0.468	57%	0.569	S	S	.	*	H	α-helix	trans	-67.2	-26.9	179.8	27	-35.9	0	0	0	113	L75	P71-L75 WeakPolarHBondContact O-CD1 3.36Å; P71-L75 VanDerWaalsContact O-CG 3.26Å; P71-L75 WeakPolarHBondContact O-CG 3.34Å; P71-L75 PolarHBondContact O-N 3.3Å
72	Q	56	Low	58.2	Low	130 Å²	130	108.5 Å²	108.5	61%	0.607	55%	0.553	S	S	*	*	H	α-helix	trans	-75.3	-47.1	176.8	-171.2	125.6	1.9	0	0	110.5	D69 E70 Q74 L75 D76	D69-Q72 WeakPolarHBondContact O-CA 3.46Å; D69-Q72 WeakPolarHBondContact O-CB 3.38Å; D69-Q72 PolarHBondContact O-N 3.29Å; E70-Q72 VanDerWaalsContact C-N 3.26Å; E70-Q72 PolarHBondContact O-N 3.1Å; Q72-Q74 VanDerWaalsContact C-N 3.3Å; Q72-Q74 PolarHBondContact O-N 2.95Å; Q72-L75 WeakPolarHBondContact O-CB 3.42Å; Q72-L75 PolarHBondContact O-N 3.39Å; Q72-L75 VanDerWaalsContact O-N 3.1Å; Q72-D76 PolarHBondContact O-N 3.38Å
73	R	61.3	Low	61	Low	125 Å²	125	104.9 Å²	104.9	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-59	-40.7	174.1	-63.8	177.9	-162.4	173.1	9.3	111.7	D69 E70 L75 D76 D77	D69-R73 WeakPolarHBondContact O-CG 3.38Å; D69-R73 PolarHBondContact O-N 3.37Å; D69-R73 IonicContact OD2-CZ 2.71Å; D69-R73 IonicContact OD2-NH2 3.34Å; D69-R73 PolarHBondContact OD2-NH2 3.42Å; E70-R73 PolarHBondContact O-N 3.26Å; R73-L75 VanDerWaalsContact C-N 3.33Å; R73-L75 PolarHBondContact O-N 3.47Å; R73-D76 PolarHBondContact O-N 3.14Å; R73-D77 VanDerWaalsContact O-CB 3.32Å; R73-D77 WeakPolarHBondContact O-CB 3.45Å; R73-D77 VanDerWaalsContact O-CG 3.25Å; R73-D77 PolarHBondContact O-N 3.47Å
74	Q	62.7	Low	63.2	Low	123 Å²	123	103.3 Å²	103.3	58%	0.575	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-35.3	175.6	-73.4	168.4	28.3	0	0	113.1	E70 Q72 E78	E70-Q74 WeakPolarHBondContact O-CB 3.45Å; E70-Q74 WeakPolarHBondContact O-CG 3.24Å; E70-Q74 PolarHBondContact O-N 3.46Å; Q72-Q74 VanDerWaalsContact C-N 3.3Å; Q72-Q74 PolarHBondContact O-N 2.95Å; Q74-E78 WeakPolarHBondContact O-CB 3.28Å; Q74-E78 PolarHBondContact O-N 2.76Å
75	L	65.3	Low	65.7	Low	115 Å²	115	95 Å²	95	60%	0.602	46%	0.462	S	S	*	.	H	α-helix	trans	-70.9	-42.2	173.9	-74	166.3	0	0	0	111.6	P71 Q72 R73 E78 Q79	P71-L75 WeakPolarHBondContact O-CD1 3.36Å; P71-L75 VanDerWaalsContact O-CG 3.26Å; P71-L75 WeakPolarHBondContact O-CG 3.34Å; P71-L75 PolarHBondContact O-N 3.3Å; Q72-L75 WeakPolarHBondContact O-CB 3.42Å; Q72-L75 PolarHBondContact O-N 3.39Å; Q72-L75 VanDerWaalsContact O-N 3.1Å; R73-L75 VanDerWaalsContact C-N 3.33Å; R73-L75 PolarHBondContact O-N 3.47Å; L75-E78 PolarHBondContact O-N 3.04Å; L75-Q79 WeakPolarHBondContact O-CB 3.41Å; L75-Q79 PolarHBondContact O-N 2.79Å
76	D	70.9	Confident	68.2	Low	90 Å²	90	91.9 Å²	91.9	48%	0.481	44%	0.439	S	S	.	.	H	α-helix	trans	-64.3	-44.2	176.6	-66.3	-33.9	0	0	0	111.2	Q72 R73 Q79 E80	Q72-D76 PolarHBondContact O-N 3.38Å; R73-D76 PolarHBondContact O-N 3.14Å; D76-Q79 PolarHBondContact O-N 3.17Å; D76-E80 PolarHBondContact O-N 2.61Å
77	D	76.8	Confident	70.8	Confident	105 Å²	105	87.1 Å²	87.1	56%	0.561	42%	0.416	S	S	*	.	H	α-helix	trans	-60.8	-42.3	173.8	-76.6	-26.5	0	0	0	112.1	R73 R81	R73-D77 VanDerWaalsContact O-CB 3.32Å; R73-D77 WeakPolarHBondContact O-CB 3.45Å; R73-D77 VanDerWaalsContact O-CG 3.25Å; R73-D77 PolarHBondContact O-N 3.47Å; D77-R81 WeakPolarHBondContact O-CB 3.5Å; D77-R81 PolarHBondContact O-N 3.22Å
78	E	78.4	Confident	73.2	Confident	81 Å²	81	84 Å²	84	38%	0.379	38%	0.384	S	S	.	.	H	α-helix	trans	-68	-41	176.9	-157.3	-160.2	129.5	0	0	111.2	Q74 L75 R81 R82	Q74-E78 WeakPolarHBondContact O-CB 3.28Å; Q74-E78 PolarHBondContact O-N 2.76Å; L75-E78 PolarHBondContact O-N 3.04Å; E78-R81 PolarHBondContact O-N 3.28Å; E78-R82 VanDerWaalsContact O-CG 3.31Å; E78-R82 WeakPolarHBondContact O-CG 3.11Å; E78-R82 PolarHBondContact O-N 2.99Å; E78-R82 IonicContact OE1-CZ 3.21Å; E78-R82 IonicContact OE1-NE 2.9Å; E78-R82 PolarHBondContact OE1-NE 3.26Å; E78-R82 IonicContact OE1-NH2 2.86Å; E78-R82 PolarHBondContact OE1-NH2 3.34Å
79	Q	79	Confident	75.4	Confident	124 Å²	124	73.6 Å²	73.6	58%	0.579	35%	0.345	S	S	*	.	H	α-helix	trans	-63.8	-43	176.2	-176.8	168.1	-50.9	0	0	111.4	L75 D76 R82 I83	L75-Q79 WeakPolarHBondContact O-CB 3.41Å; L75-Q79 PolarHBondContact O-N 2.79Å; D76-Q79 PolarHBondContact O-N 3.17Å; Q79-R82 PolarHBondContact O-N 2.81Å; Q79-I83 HydrophobicContact CG-CD1 4.23Å; Q79-I83 WeakPolarHBondContact O-CG1 3.27Å; Q79-I83 PolarHBondContact O-N 3.32Å
80	E	82.4	Confident	77.6	Confident	58 Å²	58	70 Å²	70	27%	0.271	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-41.2	175.6	-145.8	-145	141.7	0	0	111.2	D76 R82 I83 R84 Q653	D76-E80 PolarHBondContact O-N 2.61Å; E80-R82 VanDerWaalsContact C-N 3.34Å; E80-R82 PolarHBondContact O-N 3.34Å; E80-I83 WeakPolarHBondContact O-CB 3.47Å; E80-I83 PolarHBondContact O-N 3.06Å; E80-I83 VanDerWaalsContact O-N 3.16Å; E80-R84 VanDerWaalsContact CD-NE 3.31Å; E80-R84 WeakPolarHBondContact O-CG 3.24Å; E80-R84 PolarHBondContact O-N 3.36Å; E80-R84 IonicContact OE1-CZ 2.7Å; E80-R84 VanDerWaalsContact OE1-CZ 3.23Å; E80-R84 IonicContact OE1-NE 3.85Å; E80-R84 PolarHBondContact OE1-NE 3Å; E80-R84 IonicContact OE1-NH2 2.67Å; E80-R84 PolarHBondContact OE1-NH2 3.48Å; E80-R84 IonicContact OE2-CZ 2.74Å; E80-R84 IonicContact OE2-NE 3.13Å; E80-R84 IonicContact OE2-NH2 2.68Å; E80-R84 PolarHBondContact OE2-NH2 3.11Å; E80-Q653 PolarHBondContact OE1-NE2 2.83Å
81	R	83.8	Confident	79.6	Confident	96 Å²	96	65.3 Å²	65.3	36%	0.362	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-40.1	174	177.9	172.2	163.3	-85.3	-3.2	112.4	D77 E78 I83 R84 L85 E253	D77-R81 WeakPolarHBondContact O-CB 3.5Å; D77-R81 PolarHBondContact O-N 3.22Å; E78-R81 PolarHBondContact O-N 3.28Å; R81-I83 VanDerWaalsContact C-N 3.34Å; R81-R84 PolarHBondContact O-N 2.86Å; R81-L85 HydrophobicContact CG-CD1 4.11Å; R81-L85 WeakPolarHBondContact O-CB 3.5Å; R81-L85 WeakPolarHBondContact O-CG 3.48Å; R81-L85 PolarHBondContact O-N 3.33Å; R81-E253 IonicContact CZ-OE1 3.95Å; R81-E253 IonicContact NE-OE1 2.79Å; R81-E253 PolarHBondContact NE-OE1 3.17Å; R81-E253 IonicContact NH2-OE1 2.82Å; R81-E253 PolarHBondContact NH2-OE1 3.39Å
82	R	85.6	Confident	81.2	Confident	114 Å²	114	61.9 Å²	61.9	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-42.1	173.9	-72.7	172.3	-179.5	-125.2	9.9	111.3	E78 Q79 E80 L85 Q86 F633	E78-R82 VanDerWaalsContact O-CG 3.31Å; E78-R82 WeakPolarHBondContact O-CG 3.11Å; E78-R82 PolarHBondContact O-N 2.99Å; E78-R82 IonicContact OE1-CZ 3.21Å; E78-R82 IonicContact OE1-NE 2.9Å; E78-R82 PolarHBondContact OE1-NE 3.26Å; E78-R82 IonicContact OE1-NH2 2.86Å; E78-R82 PolarHBondContact OE1-NH2 3.34Å; Q79-R82 PolarHBondContact O-N 2.81Å; E80-R82 VanDerWaalsContact C-N 3.34Å; E80-R82 PolarHBondContact O-N 3.34Å; R82-L85 PolarHBondContact O-N 3.46Å; R82-Q86 WeakPolarHBondContact O-CB 3.37Å; R82-Q86 PolarHBondContact O-N 3.11Å; R82-F633 HydrophobicContact CB-CE1 4.22Å; R82-F633 HydrophobicContact CB-CZ 4.37Å; R82-F633 HydrophobicContact CG-CE1 4.48Å; R82-F633 HydrophobicContact CG-CZ 4.2Å
83	I	88.1	Confident	82.7	Confident	36 Å²	36	56.4 Å²	56.4	19%	0.185	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-46.9	176.1	-69.1	164.9	0	0	0	111.3	Q79 E80 R81 L85 Q86 L87 L646 I649	Q79-I83 HydrophobicContact CG-CD1 4.23Å; Q79-I83 WeakPolarHBondContact O-CG1 3.27Å; Q79-I83 PolarHBondContact O-N 3.32Å; E80-I83 WeakPolarHBondContact O-CB 3.47Å; E80-I83 PolarHBondContact O-N 3.06Å; E80-I83 VanDerWaalsContact O-N 3.16Å; R81-I83 VanDerWaalsContact C-N 3.34Å; I83-L85 PolarHBondContact O-N 3.34Å; I83-Q86 PolarHBondContact O-N 3.49Å; I83-L87 HydrophobicContact CG2-CD1 4.35Å; I83-L87 WeakPolarHBondContact O-CB 3.36Å; I83-L87 PolarHBondContact O-N 2.96Å; I83-L646 HydrophobicContact CG2-CD2 3.84Å; I83-I649 HydrophobicContact CG2-CD1 3.92Å
84	R	89.4	Confident	84.1	Confident	78 Å²	78	50.4 Å²	50.4	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-61.3	-41.3	177.2	-67.1	178.9	-166.1	-174.1	8.9	112.2	E80 R81 L87 Y88 L247 I249	E80-R84 VanDerWaalsContact CD-NE 3.31Å; E80-R84 WeakPolarHBondContact O-CG 3.24Å; E80-R84 PolarHBondContact O-N 3.36Å; E80-R84 IonicContact OE1-CZ 2.7Å; E80-R84 VanDerWaalsContact OE1-CZ 3.23Å; E80-R84 IonicContact OE1-NE 3.85Å; E80-R84 PolarHBondContact OE1-NE 3Å; E80-R84 IonicContact OE1-NH2 2.67Å; E80-R84 PolarHBondContact OE1-NH2 3.48Å; E80-R84 IonicContact OE2-CZ 2.74Å; E80-R84 IonicContact OE2-NE 3.13Å; E80-R84 IonicContact OE2-NH2 2.68Å; E80-R84 PolarHBondContact OE2-NH2 3.11Å; R81-R84 PolarHBondContact O-N 2.86Å; R84-L87 WeakPolarHBondContact O-CB 3.42Å; R84-L87 PolarHBondContact O-N 3.4Å; R84-Y88 PolarHBondContact O-N 2.86Å; R84-L247 WeakPolarHBondContact CD-O 3.46Å; R84-I249 HydrophobicContact CB-CD1 4.3Å
85	L	88.9	Confident	85.4	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-62	-47.8	173.8	-77.7	166	0	0	0	111.8	R81 R82 I83 L87 Y88 V89 I249 E253 L257 M630 F633	R81-L85 HydrophobicContact CG-CD1 4.11Å; R81-L85 WeakPolarHBondContact O-CB 3.5Å; R81-L85 WeakPolarHBondContact O-CG 3.48Å; R81-L85 PolarHBondContact O-N 3.33Å; R82-L85 PolarHBondContact O-N 3.46Å; I83-L85 PolarHBondContact O-N 3.34Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.17Å; L85-Y88 PolarHBondContact O-N 2.92Å; L85-Y88 VanDerWaalsContact O-N 3.14Å; L85-V89 PolarHBondContact O-N 3.24Å; L85-V89 VanDerWaalsContact O-N 3.16Å; L85-I249 HydrophobicContact CD2-CD1 4.15Å; L85-I249 HydrophobicContact CG-CD1 4.45Å; L85-E253 HydrophobicContact CD2-CB 4.16Å; L85-L257 HydrophobicContact CD2-CD1 4.19Å; L85-M630 HydrophobicContact CD1-CE 4.27Å; L85-M630 HydrophobicContact CD2-CE 4.17Å; L85-M630 HydrophobicContact CD2-SD 4.37Å; L85-F633 HydrophobicContact CB-CD2 4.48Å; L85-F633 HydrophobicContact CB-CE2 4.43Å; L85-F633 HydrophobicContact CB-CZ 4.47Å; L85-F633 HydrophobicContact CD1-CE2 4.18Å; L85-F633 HydrophobicContact CD1-CZ 4.37Å
86	Q	89.4	Confident	86.3	Confident	23 Å²	23	39.2 Å²	39.2	11%	0.107	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-38.6	178.4	-174	61.4	87.3	0	0	112.3	R82 I83 V89 F90 F633 A636 L641	R82-Q86 WeakPolarHBondContact O-CB 3.37Å; R82-Q86 PolarHBondContact O-N 3.11Å; I83-Q86 PolarHBondContact O-N 3.49Å; Q86-V89 PolarHBondContact O-N 3.07Å; Q86-F90 HydrophobicContact CG-CE2 3.85Å; Q86-F90 HydrophobicContact CG-CZ 4.3Å; Q86-F90 VanDerWaalsContact O-CD2 3.27Å; Q86-F90 WeakPolarHBondContact O-CD2 3.35Å; Q86-F633 HydrophobicContact CB-CD1 4.03Å; Q86-F633 PolarHBondContact NE2-O 3.41Å; Q86-A636 VanDerWaalsContact OE1-CB 3.25Å; Q86-L641 HydrophobicContact CG-CD1 4.05Å
87	L	90.8	Very high	87	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-45.5	171.5	-93.3	171.8	0	0	0	112	I83 R84 L85 V89 F90 V91 L247 L646 I649 L650 Y680	I83-L87 HydrophobicContact CG2-CD1 4.35Å; I83-L87 WeakPolarHBondContact O-CB 3.36Å; I83-L87 PolarHBondContact O-N 2.96Å; R84-L87 WeakPolarHBondContact O-CB 3.42Å; R84-L87 PolarHBondContact O-N 3.4Å; L85-L87 VanDerWaalsContact C-N 3.32Å; L85-L87 PolarHBondContact O-N 3.17Å; L87-V89 VanDerWaalsContact C-N 3.3Å; L87-V89 PolarHBondContact O-N 3.17Å; L87-F90 PolarHBondContact O-N 3.27Å; L87-F90 VanDerWaalsContact O-N 3.12Å; L87-V91 PolarHBondContact O-N 3.38Å; L87-L247 HydrophobicContact CB-CD1 3.92Å; L87-L646 HydrophobicContact CD2-CB 3.9Å; L87-L646 HydrophobicContact CG-CB 4.37Å; L87-L646 HydrophobicContact CG-CD2 4.25Å; L87-I649 HydrophobicContact CD1-CB 4.16Å; L87-I649 HydrophobicContact CD1-CG2 3.95Å; L87-L650 HydrophobicContact CD1-CB 4.36Å; L87-L650 HydrophobicContact CD2-CB 4Å; L87-L650 HydrophobicContact CD2-CD2 4.39Å; L87-Y680 HydrophobicContact CD2-CE2 4.21Å
88	Y	91.8	Very high	87.4	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-34	-178.7	-164.5	-117.2	0	0	0	112.5	R84 L85 F90 V91 V92 Y240 F243 Q244 L247 I249 H254 L257	R84-Y88 PolarHBondContact O-N 2.86Å; L85-Y88 PolarHBondContact O-N 2.92Å; L85-Y88 VanDerWaalsContact O-N 3.14Å; Y88-F90 VanDerWaalsContact C-N 3.31Å; Y88-F90 PolarHBondContact O-N 2.77Å; Y88-V91 PolarHBondContact O-N 2.74Å; Y88-V92 HydrophobicContact CD1-CG2 3.74Å; Y88-V92 HydrophobicContact CD2-CG2 4.31Å; Y88-V92 HydrophobicContact CE1-CG2 3.45Å; Y88-V92 VanDerWaalsContact CE1-CG2 3.45Å; Y88-V92 HydrophobicContact CE2-CG2 4.07Å; Y88-V92 HydrophobicContact CG-CG2 4.17Å; Y88-V92 WeakPolarHBondContact O-CB 3.38Å; Y88-V92 VanDerWaalsContact O-CG2 3.24Å; Y88-V92 WeakPolarHBondContact O-CG2 3.47Å; Y88-V92 PolarHBondContact O-N 3.46Å; Y88-Y240 PolarHBondContact OH-O 2.99Å; Y88-Y240 VanDerWaalsContact OH-O 3.06Å; Y88-F243 HydrophobicContact CE2-CB 4.11Å; Y88-Q244 HydrophobicContact CE2-CB 4.35Å; Y88-L247 HydrophobicContact CD2-CD1 4.01Å; Y88-L247 HydrophobicContact CG-CD1 4.46Å; Y88-I249 HydrophobicContact CD1-CG1 4.15Å; Y88-I249 HydrophobicContact CD1-CG2 4.08Å; Y88-I249 HydrophobicContact CD2-CG1 4.17Å; Y88-I249 HydrophobicContact CE1-CG2 4.29Å; Y88-I249 HydrophobicContact CG-CG1 3.85Å; Y88-H254 HydrophobicContact CE1-CB 4.1Å; Y88-H254 AromaticContact CE1-ND1 3.7Å; Y88-H254 AromaticContact CZ-ND1 3.7Å; Y88-H254 PolarHBondContact OH-ND1 2.93Å; Y88-L257 HydrophobicContact CD1-CD1 4.09Å
89	V	90.2	Very high	87.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.4	-45.1	172.5	179.1	0	0	0	0	111.5	L85 Q86 L87 R93 L257 F633	L85-V89 PolarHBondContact O-N 3.24Å; L85-V89 VanDerWaalsContact O-N 3.16Å; Q86-V89 PolarHBondContact O-N 3.07Å; L87-V89 VanDerWaalsContact C-N 3.3Å; L87-V89 PolarHBondContact O-N 3.17Å; V89-R93 WeakPolarHBondContact O-CG 3.03Å; V89-R93 PolarHBondContact O-N 3.07Å; V89-R93 VanDerWaalsContact O-N 3.13Å; V89-L257 HydrophobicContact CG2-CD1 4.1Å; V89-L257 HydrophobicContact CG2-CD2 3.91Å; V89-F633 HydrophobicContact CG2-CB 3.88Å
90	F	91.4	Very high	88.1	Confident	0 Å²	0	26 Å²	26	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-71.1	-40.6	179.9	-60.1	-43.6	0	0	0	112.3	Q86 L87 Y88 R93 C94 P638 L641 H643 L646 Y680 Y684	Q86-F90 HydrophobicContact CG-CE2 3.85Å; Q86-F90 HydrophobicContact CG-CZ 4.3Å; Q86-F90 VanDerWaalsContact O-CD2 3.27Å; Q86-F90 WeakPolarHBondContact O-CD2 3.35Å; L87-F90 PolarHBondContact O-N 3.27Å; L87-F90 VanDerWaalsContact O-N 3.12Å; Y88-F90 VanDerWaalsContact C-N 3.31Å; Y88-F90 PolarHBondContact O-N 2.77Å; F90-R93 PolarHBondContact O-N 2.81Å; F90-C94 PolarHBondContact O-N 3.45Å; F90-C94 VanDerWaalsContact O-N 3.1Å; F90-C94 PolarHBondContact O-SG 2.83Å; F90-P638 HydrophobicContact CE1-CB 4.21Å; F90-P638 HydrophobicContact CE1-CG 3.94Å; F90-L641 HydrophobicContact CE2-CD1 3.66Å; F90-L641 HydrophobicContact CZ-CD1 3.58Å; F90-H643 AromaticContact CD2-CE1 3.88Å; F90-H643 AromaticContact CE2-CE1 3.86Å; F90-L646 HydrophobicContact CE2-CD1 4.47Å; F90-Y680 HydrophobicContact CB-CD2 4.28Å; F90-Y680 HydrophobicContact CB-CE2 3.71Å; F90-Y684 HydrophobicContact CB-CD2 4.5Å; F90-Y684 HydrophobicContact CB-CE2 3.75Å; F90-Y684 HydrophobicContact CD1-CE1 4.17Å; F90-Y684 HydrophobicContact CD1-CE2 4.4Å; F90-Y684 AromaticContact CD1-CZ 3.82Å; F90-Y684 HydrophobicContact CG-CE2 4.26Å
91	V	91.9	Very high	88.2	Confident	0 Å²	0	24 Å²	24	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-44.4	174.1	169.3	0	0	0	0	111.6	L87 Y88 R93 C94 I95 F243 L650 V676 Y680	L87-V91 PolarHBondContact O-N 3.38Å; Y88-V91 PolarHBondContact O-N 2.74Å; V91-R93 VanDerWaalsContact C-N 3.32Å; V91-R93 PolarHBondContact O-N 2.78Å; V91-C94 WeakPolarHBondContact O-CB 3.33Å; V91-C94 PolarHBondContact O-N 3.28Å; V91-I95 HydrophobicContact CG1-CD1 3.8Å; V91-I95 WeakPolarHBondContact O-CG1 3.42Å; V91-I95 PolarHBondContact O-N 3.11Å; V91-F243 HydrophobicContact CG1-CB 3.66Å; V91-F243 HydrophobicContact CG1-CD1 3.9Å; V91-F243 HydrophobicContact CG1-CD2 4.18Å; V91-F243 HydrophobicContact CG1-CG 3.63Å; V91-L650 HydrophobicContact CG2-CD1 3.88Å; V91-L650 HydrophobicContact CG2-CD2 3.86Å; V91-V676 HydrophobicContact CG1-CG1 3.94Å; V91-Y680 HydrophobicContact CG2-CD2 4.5Å
92	V	90.3	Very high	88.1	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.2	-41.1	176	167.2	0	0	0	0	111	Y88 C94 I95 A96 Y240 C261	Y88-V92 HydrophobicContact CD1-CG2 3.74Å; Y88-V92 HydrophobicContact CD2-CG2 4.31Å; Y88-V92 HydrophobicContact CE1-CG2 3.45Å; Y88-V92 VanDerWaalsContact CE1-CG2 3.45Å; Y88-V92 HydrophobicContact CE2-CG2 4.07Å; Y88-V92 HydrophobicContact CG-CG2 4.17Å; Y88-V92 WeakPolarHBondContact O-CB 3.38Å; Y88-V92 VanDerWaalsContact O-CG2 3.24Å; Y88-V92 WeakPolarHBondContact O-CG2 3.47Å; Y88-V92 PolarHBondContact O-N 3.46Å; V92-C94 PolarHBondContact O-N 3.27Å; V92-I95 PolarHBondContact O-N 3.09Å; V92-A96 WeakPolarHBondContact O-CB 3.39Å; V92-A96 PolarHBondContact O-N 2.83Å; V92-Y240 HydrophobicContact CB-CE1 4.32Å; V92-Y240 HydrophobicContact CG1-CE1 3.99Å; V92-Y240 HydrophobicContact CG2-CD1 4.2Å; V92-Y240 HydrophobicContact CG2-CE1 4.26Å; V92-C261 HydrophobicContact CG1-CB 3.61Å
93	R	88.9	Confident	87.8	Confident	14 Å²	14	24.4 Å²	24.4	5%	0.053	12%	0.116	C	C	.	.	H	α-helix	trans	-63.2	-37.5	175.5	-71.4	179.5	-164.9	-174.5	10.1	113.1	V89 F90 V91 Y97 E276 I634 R683	V89-R93 WeakPolarHBondContact O-CG 3.03Å; V89-R93 PolarHBondContact O-N 3.07Å; V89-R93 VanDerWaalsContact O-N 3.13Å; F90-R93 PolarHBondContact O-N 2.81Å; V91-R93 VanDerWaalsContact C-N 3.32Å; V91-R93 PolarHBondContact O-N 2.78Å; R93-Y97 WeakPolarHBondContact CG-OH 3.44Å; R93-Y97 PolarHBondContact O-N 3.1Å; R93-E276 IonicContact CZ-OE1 3.1Å; R93-E276 IonicContact NH1-OE1 3.47Å; R93-E276 PolarHBondContact NH1-OE1 3.18Å; R93-I634 PolarHBondContact NH2-O 2.92Å; R93-R683 PolarHBondContact O-NH1 3.33Å
94	C	90.4	Very high	87.2	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.7	-39.2	174.9	-70	0	0	0	0	112.5	F90 V91 V92 P98 E679	F90-C94 PolarHBondContact O-N 3.45Å; F90-C94 VanDerWaalsContact O-N 3.1Å; F90-C94 PolarHBondContact O-SG 2.83Å; V91-C94 WeakPolarHBondContact O-CB 3.33Å; V91-C94 PolarHBondContact O-N 3.28Å; V92-C94 PolarHBondContact O-N 3.27Å; C94-P98 WeakPolarHBondContact O-CB 3.39Å; C94-E679 HydrophobicContact CB-CB 4.18Å; C94-E679 HydrophobicContact CB-CG 3.83Å
95	I	89.9	Confident	86.2	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-75.1	-36.2	177.9	-60.1	162	0	0	0	111.4	V91 V92 K236 L239 Y240 F243 V676	V91-I95 HydrophobicContact CG1-CD1 3.8Å; V91-I95 WeakPolarHBondContact O-CG1 3.42Å; V91-I95 PolarHBondContact O-N 3.11Å; V92-I95 PolarHBondContact O-N 3.09Å; I95-K236 HydrophobicContact CG2-CB 4.11Å; I95-K236 HydrophobicContact CG2-CG 4.22Å; I95-K236 WeakPolarHBondContact O-CD 3.46Å; I95-K236 VanDerWaalsContact O-CE 3.23Å; I95-K236 WeakPolarHBondContact O-CE 3.44Å; I95-L239 HydrophobicContact CD1-CB 4Å; I95-L239 HydrophobicContact CG1-CB 4.17Å; I95-L239 HydrophobicContact CG2-CB 3.9Å; I95-L239 HydrophobicContact CG2-CD1 4.28Å; I95-Y240 HydrophobicContact CB-CD1 4.11Å; I95-Y240 HydrophobicContact CB-CE1 3.58Å; I95-Y240 HydrophobicContact CD1-CD1 3.88Å; I95-Y240 HydrophobicContact CD1-CE1 4.2Å; I95-Y240 HydrophobicContact CG2-CD1 3.89Å; I95-Y240 HydrophobicContact CG2-CD2 4.24Å; I95-Y240 HydrophobicContact CG2-CE1 3.51Å; I95-Y240 HydrophobicContact CG2-CE2 3.87Å; I95-Y240 HydrophobicContact CG2-CG 4.23Å; I95-Y240 VanDerWaalsContact CG2-CZ 3.5Å; I95-F243 HydrophobicContact CD1-CD2 4.21Å; I95-V676 HydrophobicContact CD1-CG2 4.31Å; I95-V676 HydrophobicContact CG1-CG2 3.75Å
96	A	84.9	Confident	84.7	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-65.6	-47.8	-175.9	0	0	0	0	0	112.9	V92 K236 Y240	V92-A96 WeakPolarHBondContact O-CB 3.39Å; V92-A96 PolarHBondContact O-N 2.83Å; A96-K236 PolarHBondContact O-NZ 3.33Å; A96-Y240 WeakPolarHBondContact CA-OH 3.34Å; A96-Y240 WeakPolarHBondContact CB-OH 3.25Å; A96-Y240 PolarHBondContact N-OH 3.5Å
97	Y	84.7	Confident	83.3	Confident	9 Å²	9	34.1 Å²	34.1	4%	0.035	18%	0.181	C	C	.	.	S	Bend	trans	-143.8	74.1	-177.8	45.9	-86.2	0	0	0	111.3	R93 L263 Q269 Q272 I273 R683	R93-Y97 WeakPolarHBondContact CG-OH 3.44Å; R93-Y97 PolarHBondContact O-N 3.1Å; Y97-L263 HydrophobicContact CE1-CD1 4.32Å; Y97-Q269 HydrophobicContact CD1-CB 4.49Å; Y97-Q269 HydrophobicContact CD1-CG 4.05Å; Y97-Q269 HydrophobicContact CD2-CB 4.1Å; Y97-Q269 HydrophobicContact CG-CB 3.92Å; Y97-Q269 HydrophobicContact CG-CG 3.88Å; Y97-Q272 HydrophobicContact CE2-CB 4.4Å; Y97-Q272 HydrophobicContact CE2-CG 4.26Å; Y97-Q272 WeakPolarHBondContact OH-CG 3.29Å; Y97-I273 HydrophobicContact CD2-CD1 3.85Å; Y97-I273 HydrophobicContact CD2-CG1 3.79Å; Y97-I273 HydrophobicContact CE2-CD1 4.4Å; Y97-I273 HydrophobicContact CE2-CG1 3.82Å; Y97-R683 PolarHBondContact OH-NH2 3.44Å; Y97-R683 VanDerWaalsContact OH-NH2 3.07Å
98	P	85.4	Confident	81.5	Confident	42 Å²	42	38 Å²	38	27%	0.273	21%	0.213	S	C	.	.			trans	-70.7	146.2	174.9	31.2	-37.2	0	0	0	111.4	C94 F675 E679	C94-P98 WeakPolarHBondContact O-CB 3.39Å; P98-F675 HydrophobicContact CB-CE2 3.96Å; P98-F675 HydrophobicContact CB-CZ 3.65Å; P98-F675 HydrophobicContact CG-CE2 4.49Å; P98-F675 HydrophobicContact CG-CZ 3.89Å; P98-E679 VanDerWaalsContact CA-OE1 3.27Å; P98-E679 WeakPolarHBondContact CA-OE1 3.42Å; P98-E679 HydrophobicContact CB-CG 4.35Å
99	F	85.5	Confident	79.8	Confident	13 Å²	13	47.9 Å²	47.9	6%	0.057	25%	0.25	C	C	.	.			trans	-138.4	-15	-177.7	70.2	-83.8	0	0	0	114.8	I273 L316 L320 L323 E679 R683	F99-I273 HydrophobicContact CB-CD1 4.09Å; F99-I273 HydrophobicContact CD1-CD1 3.47Å; F99-I273 VanDerWaalsContact CD1-CD1 3.47Å; F99-I273 HydrophobicContact CD1-CG1 4.08Å; F99-I273 HydrophobicContact CD1-CG2 4.05Å; F99-I273 HydrophobicContact CE1-CD1 4.09Å; F99-I273 HydrophobicContact CE1-CG1 4.21Å; F99-I273 HydrophobicContact CE1-CG2 3.6Å; F99-I273 HydrophobicContact CE2-CG2 4.19Å; F99-I273 HydrophobicContact CG-CD1 3.9Å; F99-I273 HydrophobicContact CZ-CG2 3.67Å; F99-L316 HydrophobicContact CE2-CB 4.01Å; F99-L316 HydrophobicContact CE2-CD2 3.74Å; F99-L316 HydrophobicContact CE2-CG 4.47Å; F99-L316 HydrophobicContact CZ-CD2 4.1Å; F99-L320 HydrophobicContact CB-CB 4.29Å; F99-L320 HydrophobicContact CB-CD1 3.82Å; F99-L320 HydrophobicContact CD2-CB 3.75Å; F99-L320 HydrophobicContact CE2-CB 4.45Å; F99-L320 HydrophobicContact CG-CB 4.27Å; F99-L320 HydrophobicContact CG-CD1 4.35Å; F99-L323 HydrophobicContact CB-CD1 4.26Å; F99-E679 WeakPolarHBondContact CD1-OE1 3.48Å; F99-E679 PolarHBondContact N-OE1 2.78Å; F99-R683 HydrophobicContact CE1-CB 4.33Å; F99-R683 HydrophobicContact CE1-CG 4.18Å
100	N	86.5	Confident	78.5	Confident	58 Å²	58	50.8 Å²	50.8	31%	0.31	26%	0.261	S	S	.	.	S	Bend	trans	-112.9	-53.8	-176	-176.8	81.1	0	0	0	113.1	L316 N319 E679 A682	N100-L316 HydrophobicContact CB-CD2 3.97Å; N100-L316 WeakPolarHBondContact OD1-CD2 3.07Å; N100-N319 PolarHBondContact OD1-ND2 2.91Å; N100-E679 WeakPolarHBondContact CB-OE2 3.22Å; N100-E679 PolarHBondContact N-OE1 3.3Å; N100-E679 PolarHBondContact N-OE2 3.29Å; N100-A682 HydrophobicContact CB-CB 4.32Å; N100-A682 WeakPolarHBondContact ND2-CB 3.25Å
101	A	83.9	Confident	77.4	Confident	17 Å²	17	55.2 Å²	55.2	14%	0.14	28%	0.281	C	S	.	.			trans	-84.4	163.8	-176.5	0	0	0	0	0	113.3	F675 D678 E679	A101-F675 HydrophobicContact CB-CD2 3.75Å; A101-F675 HydrophobicContact CB-CE2 4.09Å; A101-D678 HydrophobicContact CB-CB 3.92Å; A101-E679 HydrophobicContact CB-CB 4.14Å; A101-E679 WeakPolarHBondContact CB-OE2 3.28Å; A101-E679 PolarHBondContact N-OE2 3.27Å
102	K	82.3	Confident	76.4	Confident	181 Å²	181	60.7 Å²	60.7	79%	0.787	31%	0.307	S	S	*	.			trans	-139	150.4	172.6	-65.2	174.3	-174.5	165.3	0	108.8	P104	K102-P104 WeakPolarHBondContact O-CD 3.36Å
103	Q	78.4	Confident	76	Confident	36 Å²	36	62 Å²	62	17%	0.168	31%	0.313	C	S	.	.			trans	-68.1	124.6	175.6	-70.6	-175.7	62	0	0	110.2	T105 L234 F675	Q103-T105 PolarHBondContact O-N 3.29Å; Q103-L234 PolarHBondContact NE2-O 2.84Å; Q103-F675 HydrophobicContact CB-CB 4.49Å; Q103-F675 HydrophobicContact CG-CB 3.66Å; Q103-F675 HydrophobicContact CG-CD1 3.81Å; Q103-F675 HydrophobicContact CG-CD2 4.25Å; Q103-F675 HydrophobicContact CG-CG 3.63Å
104	P	75.8	Confident	75.6	Confident	43 Å²	43	61.4 Å²	61.4	28%	0.279	31%	0.311	S	S	.	.			trans	-75.2	122.6	-177.3	29	-34.4	0	0	0	111.5	K102 M107 P671 V674	K102-P104 WeakPolarHBondContact O-CD 3.36Å; P104-M107 HydrophobicContact CB-CG 4.41Å; P104-M107 HydrophobicContact CG-CG 4.16Å; P104-M107 HydrophobicContact CG-SD 3.99Å; P104-P671 HydrophobicContact CG-CB 4.05Å; P104-V674 HydrophobicContact CG-CG1 4.43Å
105	T	67.7	Low	75.2	Confident	99 Å²	99	64.7 Å²	64.7	61%	0.607	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-5	-175.6	53.4	0	0	0	0	114.8	Q103 I233	Q103-T105 PolarHBondContact O-N 3.29Å; T105-I233 HydrophobicContact CG2-CD1 4.03Å; T105-I233 HydrophobicContact CG2-CG1 4.34Å
106	D	58.7	Low	75	Confident	159 Å²	159	71.6 Å²	71.6	85%	0.85	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	12.7	-169.7	-156.7	30	0	0	0	113.3
107	M	60.8	Low	74.9	Confident	43 Å²	43	79.5 Å²	79.5	21%	0.212	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-81	127.2	176.1	-58.8	-163	86.1	0	0	110.6	P104 W668 P671 V674	P104-M107 HydrophobicContact CB-CG 4.41Å; P104-M107 HydrophobicContact CG-CG 4.16Å; P104-M107 HydrophobicContact CG-SD 3.99Å; M107-W668 HydrophobicContact CE-CE3 4.3Å; M107-P671 HydrophobicContact CB-CG 4.08Å; M107-P671 HydrophobicContact CG-CG 4.14Å; M107-P671 HydrophobicContact SD-CB 4.39Å; M107-P671 HydrophobicContact SD-CG 3.83Å; M107-V674 HydrophobicContact SD-CG2 4.45Å
108	A	52.5	Low	74.9	Confident	82 Å²	82	82 Å²	82	68%	0.678	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-56.3	147.2	-173.6	0	0	0	0	0	114.3	R110	A108-R110 WeakPolarHBondContact O-CG 3.35Å; A108-R110 PolarHBondContact O-N 3.39Å
109	R	55.8	Low	75	Confident	207 Å²	207	80.5 Å²	80.5	78%	0.781	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-57	133.6	172.9	-70.2	-177.6	178.3	172.7	0.5	110.1
110	R	63.1	Low	75	Confident	61 Å²	61	84.3 Å²	84.3	23%	0.23	42%	0.415	C	S	.	.			trans	-105.2	145.9	-177	-56	-171.3	-169.9	-156.6	10.9	110.7	A108 R658 W668 F669	A108-R110 WeakPolarHBondContact O-CG 3.35Å; A108-R110 PolarHBondContact O-N 3.39Å; R110-R658 VanDerWaalsContact NH1-NH2 3.14Å; R110-W668 PolarHBondContact NH1-O 3.32Å; R110-F669 PolarHBondContact NH2-O 3.37Å
111	Q	67.4	Low	75.1	Confident	92 Å²	92	85.2 Å²	85.2	43%	0.43	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-102.7	150	-177.5	-69.1	167.5	-26.2	0	0	109.7	K113 S169 N171 S664	Q111-K113 PolarHBondContact O-N 3.37Å; Q111-S169 PolarHBondContact OE1-OG 2.98Å; Q111-N171 VanDerWaalsContact OE1-CB 3.22Å; Q111-S664 PolarHBondContact O-N 3.33Å
112	Q	72.1	Confident	75.3	Confident	115 Å²	115	84.7 Å²	84.7	54%	0.537	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-62.1	132.1	179.8	-165.5	176.2	4	0	0	110.1	S169 S662	Q112-S169 WeakPolarHBondContact O-CA 3.44Å; Q112-S169 WeakPolarHBondContact O-CB 3.32Å; Q112-S662 WeakPolarHBondContact CG-O 3.17Å
113	K	80.8	Confident	75.7	Confident	27 Å²	27	77.9 Å²	77.9	12%	0.117	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-71.4	136.4	176.4	166.7	173.2	152.2	-169.9	0	109.1	Q111 Q118 G166 L659 D661 S662	Q111-K113 PolarHBondContact O-N 3.37Å; K113-Q118 PolarHBondContact O-OE1 3.09Å; K113-G166 VanDerWaalsContact CE-CA 3.48Å; K113-L659 PolarHBondContact NZ-O 3.19Å; K113-D661 PolarHBondContact NZ-O 3.05Å; K113-S662 WeakPolarHBondContact CB-O 3.49Å; K113-S662 PolarHBondContact N-O 3.04Å
114	L	80.9	Confident	76.3	Confident	3 Å²	3	80.8 Å²	80.8	2%	0.016	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-79.2	127.3	172.2	-82.3	170.2	0	0	0	110	Q118 V163 C168 F173	L114-Q118 HydrophobicContact CD2-CB 3.81Å; L114-V163 HydrophobicContact CB-CG2 4.38Å; L114-C168 PolarHBondContact N-O 3.1Å; L114-C168 VanDerWaalsContact N-O 3.08Å; L114-F173 HydrophobicContact CD1-CD1 4.05Å; L114-F173 HydrophobicContact CD1-CD2 3.46Å; L114-F173 VanDerWaalsContact CD1-CD2 3.46Å; L114-F173 HydrophobicContact CD1-CE1 4.03Å; L114-F173 HydrophobicContact CD1-CE2 3.45Å; L114-F173 VanDerWaalsContact CD1-CE2 3.45Å; L114-F173 HydrophobicContact CD1-CG 3.79Å; L114-F173 HydrophobicContact CD1-CZ 3.74Å
115	N	82.3	Confident	76.9	Confident	69 Å²	69	81.2 Å²	81.2	37%	0.369	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-98.6	160.3	174.1	-72.1	-26.8	0	0	0	111.5	Q117 Q118 L119	N115-Q117 PolarHBondContact O-N 3.01Å; N115-Q117 VanDerWaalsContact O-N 3.12Å; N115-Q118 WeakPolarHBondContact O-CB 3.34Å; N115-Q118 PolarHBondContact O-N 2.71Å; N115-L119 PolarHBondContact O-N 3.39Å
116	K	84.6	Confident	78	Confident	147 Å²	147	76.5 Å²	76.5	64%	0.639	37%	0.365	S	S	*	.	H	α-helix	trans	-52.2	-37.6	-178	-175.6	175.4	177.4	177.6	0	114	Q120	K116-Q120 PolarHBondContact O-N 3.48Å
117	Q	84.5	Confident	79.5	Confident	167 Å²	167	73.1 Å²	73.1	78%	0.78	34%	0.344	S	S	*	.	H	α-helix	trans	-67	-38.8	175.8	-71.2	171.9	-29.3	0	0	112.7	N115 Q120 L121	N115-Q117 PolarHBondContact O-N 3.01Å; N115-Q117 VanDerWaalsContact O-N 3.12Å; Q117-Q120 PolarHBondContact O-N 3.4Å; Q117-L121 PolarHBondContact O-N 2.94Å
118	Q	83.6	Confident	80.8	Confident	61 Å²	61	72 Å²	72	29%	0.285	34%	0.341	S	S	.	.	H	α-helix	trans	-71.6	-35.8	178.1	-67	166.8	-47.6	0	0	111.6	K113 L114 N115 Q120 L122	K113-Q118 PolarHBondContact O-OE1 3.09Å; L114-Q118 HydrophobicContact CD2-CB 3.81Å; N115-Q118 WeakPolarHBondContact O-CB 3.34Å; N115-Q118 PolarHBondContact O-N 2.71Å; Q118-Q120 VanDerWaalsContact C-N 3.3Å; Q118-Q120 PolarHBondContact O-N 3.31Å; Q118-L122 VanDerWaalsContact O-CB 3.25Å; Q118-L122 WeakPolarHBondContact O-CB 3.37Å; Q118-L122 PolarHBondContact O-N 2.71Å
119	L	86.9	Confident	82.6	Confident	10 Å²	10	68.6 Å²	68.6	5%	0.052	31%	0.311	C	S	.	.	H	α-helix	trans	-60.5	-40.8	170.6	175.1	65.2	0	0	0	111.6	N115 L122 K123 V159 A160 V163 F173	N115-L119 PolarHBondContact O-N 3.39Å; L119-L122 PolarHBondContact O-N 2.76Å; L119-K123 WeakPolarHBondContact O-CG 3.43Å; L119-K123 PolarHBondContact O-N 3.27Å; L119-V159 HydrophobicContact CD1-CG1 4.42Å; L119-A160 HydrophobicContact CD2-CB 4.42Å; L119-V163 HydrophobicContact CB-CG1 4.08Å; L119-V163 HydrophobicContact CB-CG2 4.36Å; L119-V163 HydrophobicContact CD2-CB 4.16Å; L119-V163 HydrophobicContact CD2-CG1 4.22Å; L119-V163 HydrophobicContact CD2-CG2 4.04Å; L119-F173 HydrophobicContact CD1-CE1 3.75Å; L119-F173 HydrophobicContact CD1-CZ 3.97Å
120	Q	87.5	Confident	84.2	Confident	94 Å²	94	60.8 Å²	60.8	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-67.1	-48.8	179.1	-175.9	56.6	33.5	0	0	111.5	K116 Q117 Q118 L122 K123 E124	K116-Q120 PolarHBondContact O-N 3.48Å; Q117-Q120 PolarHBondContact O-N 3.4Å; Q118-Q120 VanDerWaalsContact C-N 3.3Å; Q118-Q120 PolarHBondContact O-N 3.31Å; Q120-L122 PolarHBondContact O-N 2.95Å; Q120-K123 WeakPolarHBondContact O-CB 3.29Å; Q120-K123 PolarHBondContact O-N 2.81Å; Q120-K123 VanDerWaalsContact O-N 3.09Å; Q120-E124 VanDerWaalsContact CG-OE1 3.32Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.45Å; Q120-E124 PolarHBondContact NE2-OE1 2.78Å; Q120-E124 PolarHBondContact O-N 3.17Å
121	L	88.4	Confident	85.3	Confident	76 Å²	76	62.7 Å²	62.7	40%	0.398	30%	0.299	S	S	.	.	H	α-helix	trans	-58	-35.6	173.3	-179.6	63.1	0	0	0	112.5	Q117 E124 R125	Q117-L121 PolarHBondContact O-N 2.94Å; L121-E124 PolarHBondContact O-N 2.78Å; L121-R125 WeakPolarHBondContact O-CB 3.32Å; L121-R125 VanDerWaalsContact O-CG 3.29Å; L121-R125 WeakPolarHBondContact O-CG 3.44Å; L121-R125 PolarHBondContact O-N 2.63Å
122	L	88.1	Confident	86.1	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-69.6	-38.2	176.4	-172.7	64.8	0	0	0	112.1	Q118 L119 Q120 F126 L154 F173 Y211	Q118-L122 VanDerWaalsContact O-CB 3.25Å; Q118-L122 WeakPolarHBondContact O-CB 3.37Å; Q118-L122 PolarHBondContact O-N 2.71Å; L119-L122 PolarHBondContact O-N 2.76Å; Q120-L122 PolarHBondContact O-N 2.95Å; L122-F126 HydrophobicContact CD1-CD2 3.77Å; L122-F126 HydrophobicContact CD1-CE2 3.56Å; L122-F126 HydrophobicContact CG-CD2 4.15Å; L122-F126 HydrophobicContact CG-CE2 4.26Å; L122-F126 WeakPolarHBondContact O-CB 3.5Å; L122-F126 VanDerWaalsContact O-CD2 3.3Å; L122-F126 WeakPolarHBondContact O-CD2 3.24Å; L122-F126 PolarHBondContact O-N 2.73Å; L122-L154 HydrophobicContact CD2-CD2 4.01Å; L122-L154 HydrophobicContact CG-CD2 4.49Å; L122-F173 HydrophobicContact CD2-CD1 3.56Å; L122-F173 HydrophobicContact CD2-CE1 3.88Å; L122-Y211 HydrophobicContact CD1-CD2 3.51Å; L122-Y211 HydrophobicContact CD1-CE2 3.89Å; L122-Y211 HydrophobicContact CD1-CG 4.24Å; L122-Y211 HydrophobicContact CD2-CD2 4.27Å; L122-Y211 HydrophobicContact CD2-CE2 4.03Å
123	K	90.1	Very high	86.5	Confident	39 Å²	39	61.8 Å²	61.8	17%	0.17	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-47.4	171.7	-74.7	177.2	172.8	-169.8	0	110.9	L119 Q120 R125 F126 Q127 Y150 L154	L119-K123 WeakPolarHBondContact O-CG 3.43Å; L119-K123 PolarHBondContact O-N 3.27Å; Q120-K123 WeakPolarHBondContact O-CB 3.29Å; Q120-K123 PolarHBondContact O-N 2.81Å; Q120-K123 VanDerWaalsContact O-N 3.09Å; K123-R125 PolarHBondContact O-N 3.19Å; K123-F126 PolarHBondContact O-N 2.69Å; K123-Q127 WeakPolarHBondContact O-CB 3.41Å; K123-Q127 PolarHBondContact O-N 2.92Å; K123-Y150 HydrophobicContact CB-CE2 4.2Å; K123-Y150 HydrophobicContact CG-CE2 4.49Å; K123-Y150 WeakPolarHBondContact O-CE2 3.32Å; K123-L154 WeakPolarHBondContact CE-O 3.4Å; K123-L154 HydrophobicContact CG-CB 4.42Å; K123-L154 PolarHBondContact NZ-O 3.2Å
124	E	90.3	Very high	86.6	Confident	96 Å²	96	62.1 Å²	62.1	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-59.9	-46.5	179.1	-72.3	153.3	-170.8	0	0	111.3	Q120 L121 F126 Q127 A128	Q120-E124 VanDerWaalsContact CG-OE1 3.32Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.45Å; Q120-E124 PolarHBondContact NE2-OE1 2.78Å; Q120-E124 PolarHBondContact O-N 3.17Å; L121-E124 PolarHBondContact O-N 2.78Å; E124-F126 PolarHBondContact O-N 2.93Å; E124-Q127 PolarHBondContact O-N 3.15Å; E124-A128 WeakPolarHBondContact O-CB 3.44Å; E124-A128 PolarHBondContact O-N 2.84Å
125	R	89.7	Confident	86.5	Confident	53 Å²	53	70 Å²	70	20%	0.2	35%	0.352	C	S	.	.	H	α-helix	trans	-61.4	-40.5	175.9	-72.9	169.9	177.7	-157.8	-10.6	113.7	L121 K123 F129 Y211 R212 E215	L121-R125 WeakPolarHBondContact O-CB 3.32Å; L121-R125 VanDerWaalsContact O-CG 3.29Å; L121-R125 WeakPolarHBondContact O-CG 3.44Å; L121-R125 PolarHBondContact O-N 2.63Å; K123-R125 PolarHBondContact O-N 3.19Å; R125-F129 PolarHBondContact O-N 2.63Å; R125-Y211 PolarHBondContact NH1-O 3.2Å; R125-R212 PolarHBondContact NH1-O 2.89Å; R125-R212 PolarHBondContact NH2-O 3.24Å; R125-E215 IonicContact NH2-OE2 3.43Å
126	F	90.5	Very high	86.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-72	-32	177.2	-88.4	-113.1	0	0	0	112.3	L122 K123 E124 L130 V146 Y149 Y150 L154 Y207 I210	L122-F126 HydrophobicContact CD1-CD2 3.77Å; L122-F126 HydrophobicContact CD1-CE2 3.56Å; L122-F126 HydrophobicContact CG-CD2 4.15Å; L122-F126 HydrophobicContact CG-CE2 4.26Å; L122-F126 WeakPolarHBondContact O-CB 3.5Å; L122-F126 VanDerWaalsContact O-CD2 3.3Å; L122-F126 WeakPolarHBondContact O-CD2 3.24Å; L122-F126 PolarHBondContact O-N 2.73Å; K123-F126 PolarHBondContact O-N 2.69Å; E124-F126 PolarHBondContact O-N 2.93Å; F126-L130 WeakPolarHBondContact O-CG 3.14Å; F126-L130 PolarHBondContact O-N 2.79Å; F126-L130 VanDerWaalsContact O-N 3.16Å; F126-V146 HydrophobicContact CD1-CG1 3.74Å; F126-V146 HydrophobicContact CE1-CG1 4.08Å; F126-Y149 HydrophobicContact CD1-CD1 4.02Å; F126-Y149 HydrophobicContact CD1-CE1 4.24Å; F126-Y149 AromaticContact CE1-CD1 3.65Å; F126-Y149 HydrophobicContact CE1-CD1 3.65Å; F126-Y149 AromaticContact CE1-CE1 3.69Å; F126-Y149 HydrophobicContact CE1-CE1 3.69Å; F126-Y149 HydrophobicContact CZ-CE1 4.14Å; F126-Y150 HydrophobicContact CB-CD2 3.85Å; F126-Y150 HydrophobicContact CB-CE2 4.5Å; F126-L154 HydrophobicContact CB-CD1 3.9Å; F126-L154 HydrophobicContact CD1-CD1 3.71Å; F126-L154 HydrophobicContact CD2-CD1 4.2Å; F126-L154 HydrophobicContact CE1-CD1 4.36Å; F126-L154 HydrophobicContact CG-CD1 3.64Å; F126-Y207 HydrophobicContact CE1-CD2 4.14Å; F126-Y207 HydrophobicContact CE1-CE2 4.18Å; F126-Y207 HydrophobicContact CE2-CE2 4.48Å; F126-Y207 AromaticContact CZ-CD2 3.61Å; F126-Y207 HydrophobicContact CZ-CD2 3.61Å; F126-Y207 AromaticContact CZ-CE2 3.54Å; F126-Y207 HydrophobicContact CZ-CE2 3.54Å; F126-I210 HydrophobicContact CD2-CG2 3.47Å; F126-I210 VanDerWaalsContact CD2-CG2 3.47Å; F126-I210 HydrophobicContact CE2-CB 4.05Å; F126-I210 HydrophobicContact CE2-CG2 3.45Å; F126-I210 VanDerWaalsContact CE2-CG2 3.45Å; F126-I210 HydrophobicContact CG-CG2 4.02Å; F126-I210 HydrophobicContact CZ-CB 4.28Å; F126-I210 HydrophobicContact CZ-CG2 3.98Å
127	Q	90.4	Very high	86.2	Confident	87 Å²	87	67.5 Å²	67.5	41%	0.407	35%	0.35	S	S	.	.	H	α-helix	trans	-73	-43.6	176	-171.6	169.4	-9.3	0	0	111.7	K123 E124 F129 L130 N131 Y150	K123-Q127 WeakPolarHBondContact O-CB 3.41Å; K123-Q127 PolarHBondContact O-N 2.92Å; E124-Q127 PolarHBondContact O-N 3.15Å; Q127-F129 VanDerWaalsContact C-N 3.29Å; Q127-F129 PolarHBondContact O-N 2.72Å; Q127-L130 CarbonylContact O-C 3.55Å; Q127-L130 PolarHBondContact O-N 3.21Å; Q127-N131 VanDerWaalsContact O-CG 3.27Å; Q127-N131 PolarHBondContact O-N 3.14Å; Q127-N131 PolarHBondContact O-OD1 2.88Å; Q127-Y150 HydrophobicContact CB-CE2 4.09Å; Q127-Y150 PolarHBondContact OE1-OH 2.95Å
128	A	88.1	Confident	86.1	Confident	19 Å²	19	61.5 Å²	61.5	16%	0.157	33%	0.329	C	S	.	.	H	α-helix	trans	-56.1	-42.7	172.9	0	0	0	0	0	112	E124 N131 G132 E133 T134	E124-A128 WeakPolarHBondContact O-CB 3.44Å; E124-A128 PolarHBondContact O-N 2.84Å; A128-N131 PolarHBondContact O-N 2.73Å; A128-G132 PolarHBondContact O-N 3.08Å; A128-E133 HydrophobicContact CB-CB 4.13Å; A128-E133 WeakPolarHBondContact CB-OE2 3.22Å; A128-E133 WeakPolarHBondContact O-CB 3.38Å; A128-E133 PolarHBondContact O-N 2.69Å; A128-T134 HydrophobicContact CB-CG2 4.27Å
129	F	90	Very high	86.1	Confident	12 Å²	12	61.3 Å²	61.3	5%	0.053	33%	0.33	C	S	.	.	H	α-helix	trans	-60.1	-44.7	172.2	169.6	-91.2	0	0	0	112.4	R125 Q127 N131 G132 T134 I136 A138 F142 V146 I210	R125-F129 PolarHBondContact O-N 2.63Å; Q127-F129 VanDerWaalsContact C-N 3.29Å; Q127-F129 PolarHBondContact O-N 2.72Å; F129-N131 VanDerWaalsContact C-N 3.29Å; F129-N131 PolarHBondContact O-N 2.93Å; F129-G132 PolarHBondContact O-N 2.99Å; F129-G132 VanDerWaalsContact O-N 3.14Å; F129-T134 HydrophobicContact CB-CG2 4.25Å; F129-T134 WeakPolarHBondContact CD2-OG1 3.37Å; F129-I136 HydrophobicContact CD2-CB 4.17Å; F129-I136 HydrophobicContact CD2-CG2 4.43Å; F129-I136 HydrophobicContact CE2-CB 4.15Å; F129-I136 HydrophobicContact CE2-CG2 4.07Å; F129-A138 HydrophobicContact CE2-CB 3.94Å; F129-A138 HydrophobicContact CZ-CB 3.65Å; F129-F142 HydrophobicContact CE1-CD1 4.44Å; F129-F142 HydrophobicContact CE1-CE1 4.19Å; F129-F142 HydrophobicContact CE2-CE1 4.12Å; F129-F142 AromaticContact CZ-CD1 3.77Å; F129-F142 HydrophobicContact CZ-CD1 3.77Å; F129-F142 AromaticContact CZ-CE1 3.58Å; F129-F142 HydrophobicContact CZ-CE1 3.58Å; F129-V146 HydrophobicContact CD1-CB 4.34Å; F129-V146 HydrophobicContact CD1-CG1 3.7Å; F129-V146 HydrophobicContact CE1-CB 3.92Å; F129-V146 HydrophobicContact CE1-CG1 3.81Å; F129-V146 HydrophobicContact CE1-CG2 3.99Å; F129-I210 HydrophobicContact CB-CD1 4.32Å; F129-I210 HydrophobicContact CB-CG1 4.36Å; F129-I210 HydrophobicContact CB-CG2 4.21Å; F129-I210 HydrophobicContact CD1-CD1 3.92Å; F129-I210 HydrophobicContact CD2-CD1 3.71Å; F129-I210 HydrophobicContact CD2-CG1 3.92Å; F129-I210 HydrophobicContact CE1-CD1 4.21Å; F129-I210 HydrophobicContact CE2-CD1 4.01Å; F129-I210 HydrophobicContact CG-CD1 3.68Å; F129-I210 HydrophobicContact CG-CG1 4.08Å; F129-I210 HydrophobicContact CZ-CD1 4.26Å
130	L	88.4	Confident	86	Confident	42 Å²	42	67.9 Å²	67.9	22%	0.22	36%	0.36	C	S	.	.	H	α-helix	trans	-69.3	-24.8	178.9	-71.6	170.2	0	0	0	113.6	F126 Q127 G132 V146 R147 Y150	F126-L130 WeakPolarHBondContact O-CG 3.14Å; F126-L130 PolarHBondContact O-N 2.79Å; F126-L130 VanDerWaalsContact O-N 3.16Å; Q127-L130 CarbonylContact O-C 3.55Å; Q127-L130 PolarHBondContact O-N 3.21Å; L130-G132 VanDerWaalsContact C-N 3.34Å; L130-V146 HydrophobicContact CD2-CB 4.38Å; L130-V146 HydrophobicContact CD2-CG1 4.11Å; L130-V146 HydrophobicContact CG-CG1 4.25Å; L130-R147 HydrophobicContact CD1-CB 4.39Å; L130-R147 HydrophobicContact CD1-CG 4.42Å; L130-R147 HydrophobicContact CD2-CB 3.87Å; L130-R147 HydrophobicContact CD2-CG 4.42Å; L130-Y150 HydrophobicContact CD1-CD1 4.17Å; L130-Y150 HydrophobicContact CD1-CG 4.05Å
131	N	87.5	Confident	85.8	Confident	101 Å²	101	65.2 Å²	65.2	54%	0.54	36%	0.355	S	S	.	.	H	α-helix	trans	-79.9	-12.9	172.5	-68	-3.6	0	0	0	113.1	Q127 A128 F129 E133	Q127-N131 VanDerWaalsContact O-CG 3.27Å; Q127-N131 PolarHBondContact O-N 3.14Å; Q127-N131 PolarHBondContact O-OD1 2.88Å; A128-N131 PolarHBondContact O-N 2.73Å; F129-N131 VanDerWaalsContact C-N 3.29Å; F129-N131 PolarHBondContact O-N 2.93Å; N131-E133 HydrophobicContact CB-CG 3.92Å; N131-E133 WeakPolarHBondContact CB-OE1 3.29Å; N131-E133 PolarHBondContact ND2-OE1 3.06Å
132	G	83.1	Confident	85.8	Confident	60 Å²	60	61.6 Å²	61.6	62%	0.619	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	11.4	-175.7	0	0	0	0	0	115.2	A128 F129 L130 T134	A128-G132 PolarHBondContact O-N 3.08Å; F129-G132 PolarHBondContact O-N 2.99Å; F129-G132 VanDerWaalsContact O-N 3.14Å; L130-G132 VanDerWaalsContact C-N 3.34Å; G132-T134 VanDerWaalsContact C-N 3.25Å; G132-T134 PolarHBondContact O-N 2.77Å
133	E	81.8	Confident	85.8	Confident	129 Å²	129	62.9 Å²	62.9	60%	0.603	35%	0.345	S	S	*	.			trans	-76.1	-6.2	-175.5	-61.9	164.7	-152.9	0	0	113.9	A128 N131	A128-E133 HydrophobicContact CB-CB 4.13Å; A128-E133 WeakPolarHBondContact CB-OE2 3.22Å; A128-E133 WeakPolarHBondContact O-CB 3.38Å; A128-E133 PolarHBondContact O-N 2.69Å; N131-E133 HydrophobicContact CB-CG 3.92Å; N131-E133 WeakPolarHBondContact CB-OE1 3.29Å; N131-E133 PolarHBondContact ND2-OE1 3.06Å
134	T	82.2	Confident	85.6	Confident	34 Å²	34	63.7 Å²	63.7	21%	0.209	35%	0.351	C	S	.	.	S	Bend	trans	-114.6	145.7	-173.7	65.7	0	0	0	0	112.5	A128 F129 G132 I136	A128-T134 HydrophobicContact CB-CG2 4.27Å; F129-T134 HydrophobicContact CB-CG2 4.25Å; F129-T134 WeakPolarHBondContact CD2-OG1 3.37Å; G132-T134 VanDerWaalsContact C-N 3.25Å; G132-T134 PolarHBondContact O-N 2.77Å; T134-I136 PolarHBondContact O-N 3.46Å
135	Q	77.9	Confident	85.5	Confident	167 Å²	167	59.1 Å²	59.1	78%	0.78	33%	0.329	S	S	*	.			trans	-75.7	22.7	-177.4	-57.9	179.9	47.4	0	0	114.9	V137 E214	Q135-V137 PolarHBondContact O-N 3.06Å; Q135-E214 PolarHBondContact N-OE1 2.86Å; Q135-E214 PolarHBondContact NE2-OE2 3.22Å
136	I	82.5	Confident	85.5	Confident	39 Å²	39	56.6 Å²	56.6	20%	0.2	32%	0.32	C	S	.	.			trans	-93.4	103.2	-171.2	-59.9	175.5	0	0	0	110.3	F129 T134 A138 K206 A209 I210	F129-I136 HydrophobicContact CD2-CB 4.17Å; F129-I136 HydrophobicContact CD2-CG2 4.43Å; F129-I136 HydrophobicContact CE2-CB 4.15Å; F129-I136 HydrophobicContact CE2-CG2 4.07Å; T134-I136 PolarHBondContact O-N 3.46Å; I136-A138 PolarHBondContact O-N 3.46Å; I136-A138 VanDerWaalsContact O-N 3.09Å; I136-K206 HydrophobicContact CG2-CB 4.4Å; I136-K206 HydrophobicContact CG2-CG 4.47Å; I136-A209 HydrophobicContact CD1-CB 4.01Å; I136-I210 HydrophobicContact CD1-CB 4.34Å; I136-I210 HydrophobicContact CD1-CG1 3.57Å
137	V	77.9	Confident	85.4	Confident	126 Å²	126	62.2 Å²	62.2	76%	0.764	34%	0.341	S	S	*	.			trans	-61.5	112.7	-178.5	-177	0	0	0	0	111.6	Q135 K206	Q135-V137 PolarHBondContact O-N 3.06Å; V137-K206 VanDerWaalsContact O-CE 3.28Å; V137-K206 WeakPolarHBondContact O-CE 3.28Å; V137-K206 PolarHBondContact O-NZ 3.31Å
138	A	82.9	Confident	85.1	Confident	40 Å²	40	59.3 Å²	59.3	33%	0.331	33%	0.331	S	S	.	.			trans	-118	148.5	-175.1	0	0	0	0	0	112.3	F129 I136 F142 C143	F129-A138 HydrophobicContact CE2-CB 3.94Å; F129-A138 HydrophobicContact CZ-CB 3.65Å; I136-A138 PolarHBondContact O-N 3.46Å; I136-A138 VanDerWaalsContact O-N 3.09Å; A138-F142 HydrophobicContact CB-CD1 3.95Å; A138-C143 WeakPolarHBondContact CB-SG 3.43Å
139	D	84.4	Confident	85.2	Confident	58 Å²	58	58.4 Å²	58.4	31%	0.31	32%	0.323	S	S	.	.			trans	-95.7	154.7	167.5	51.8	92.4	0	0	0	109.1	A141 F142 C143 W203 K206	D139-A141 VanDerWaalsContact C-N 3.26Å; D139-A141 PolarHBondContact O-N 3.19Å; D139-F142 WeakPolarHBondContact O-CB 3.4Å; D139-F142 PolarHBondContact O-N 3.02Å; D139-F142 VanDerWaalsContact O-N 3.1Å; D139-F142 VanDerWaalsContact OD1-CB 3.28Å; D139-F142 WeakPolarHBondContact OD1-CB 3.44Å; D139-F142 PolarHBondContact OD1-N 3.01Å; D139-C143 PolarHBondContact O-N 2.91Å; D139-W203 WeakPolarHBondContact OD1-CZ2 3.37Å; D139-W203 PolarHBondContact OD1-NE1 3.42Å; D139-W203 PolarHBondContact OD2-NE1 2.71Å; D139-K206 IonicContact OD2-NZ 2.83Å; D139-K206 PolarHBondContact OD2-NZ 3.03Å
140	E	84.4	Confident	85.2	Confident	147 Å²	147	58.7 Å²	58.7	69%	0.687	32%	0.324	S	S	*	.	H	α-helix	trans	-60.5	-37.1	-173.7	-159.6	-155.9	135.2	0	0	112.4	F142 C143 N144	E140-F142 PolarHBondContact O-N 2.74Å; E140-C143 PolarHBondContact O-N 2.98Å; E140-N144 WeakPolarHBondContact O-CB 3.46Å; E140-N144 PolarHBondContact O-N 3.41Å; E140-N144 PolarHBondContact O-ND2 3.32Å; E140-N144 PolarHBondContact OE1-ND2 3.26Å; E140-N144 VanDerWaalsContact OE1-ND2 3.09Å
141	A	84	Confident	85	Confident	39 Å²	39	61 Å²	61	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-40.9	176.7	0	0	0	0	0	112	D139 A145 W203	D139-A141 VanDerWaalsContact C-N 3.26Å; D139-A141 PolarHBondContact O-N 3.19Å; A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 3.4Å; A141-W203 HydrophobicContact CB-CH2 3.87Å; A141-W203 HydrophobicContact CB-CZ2 3.79Å
142	F	87.9	Confident	84.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-45.6	170.8	-176.4	-108	0	0	0	112	F129 A138 D139 E140 N144 A145 V146 F177 W203 K206 I210	F129-F142 HydrophobicContact CE1-CD1 4.44Å; F129-F142 HydrophobicContact CE1-CE1 4.19Å; F129-F142 HydrophobicContact CE2-CE1 4.12Å; F129-F142 AromaticContact CZ-CD1 3.77Å; F129-F142 HydrophobicContact CZ-CD1 3.77Å; F129-F142 AromaticContact CZ-CE1 3.58Å; F129-F142 HydrophobicContact CZ-CE1 3.58Å; A138-F142 HydrophobicContact CB-CD1 3.95Å; D139-F142 WeakPolarHBondContact O-CB 3.4Å; D139-F142 PolarHBondContact O-N 3.02Å; D139-F142 VanDerWaalsContact O-N 3.1Å; D139-F142 VanDerWaalsContact OD1-CB 3.28Å; D139-F142 WeakPolarHBondContact OD1-CB 3.44Å; D139-F142 PolarHBondContact OD1-N 3.01Å; E140-F142 PolarHBondContact O-N 2.74Å; F142-N144 VanDerWaalsContact C-N 3.32Å; F142-N144 PolarHBondContact O-N 3Å; F142-A145 WeakPolarHBondContact O-CB 3.16Å; F142-A145 PolarHBondContact O-N 2.83Å; F142-A145 VanDerWaalsContact O-N 3.15Å; F142-V146 HydrophobicContact CD1-CG2 4.1Å; F142-V146 HydrophobicContact CD2-CG2 4.32Å; F142-V146 HydrophobicContact CE1-CG2 3.69Å; F142-V146 HydrophobicContact CE2-CG2 3.95Å; F142-V146 HydrophobicContact CG-CG2 4.4Å; F142-V146 HydrophobicContact CZ-CG2 3.6Å; F142-V146 WeakPolarHBondContact O-CG2 3.38Å; F142-V146 PolarHBondContact O-N 3.46Å; F142-F177 HydrophobicContact CD2-CZ 4.45Å; F142-F177 HydrophobicContact CE2-CE1 4.16Å; F142-F177 AromaticContact CE2-CZ 3.73Å; F142-F177 HydrophobicContact CE2-CZ 3.73Å; F142-F177 HydrophobicContact CZ-CZ 4.38Å; F142-W203 HydrophobicContact CB-CD2 4.24Å; F142-W203 HydrophobicContact CB-CZ2 4.05Å; F142-W203 HydrophobicContact CD2-CB 3.75Å; F142-W203 AromaticContact CD2-CD1 3.75Å; F142-W203 AromaticContact CD2-CD2 3.65Å; F142-W203 HydrophobicContact CD2-CD2 3.65Å; F142-W203 HydrophobicContact CD2-CE3 4.13Å; F142-W203 AromaticContact CD2-CG 3.46Å; F142-W203 HydrophobicContact CD2-CG 3.46Å; F142-W203 VanDerWaalsContact CD2-CG 3.46Å; F142-W203 HydrophobicContact CE2-CB 3.83Å; F142-W203 HydrophobicContact CE2-CG 4.07Å; F142-W203 WeakPolarHBondContact CE2-O 3.37Å; F142-W203 HydrophobicContact CG-CD2 4.41Å; F142-W203 HydrophobicContact CG-CG 4.34Å; F142-K206 HydrophobicContact CD1-CD 3.88Å; F142-K206 HydrophobicContact CD2-CD 4.44Å; F142-K206 HydrophobicContact CE1-CB 3.7Å; F142-K206 HydrophobicContact CE1-CD 3.84Å; F142-K206 HydrophobicContact CE1-CG 4.4Å; F142-K206 HydrophobicContact CE2-CB 3.95Å; F142-K206 HydrophobicContact CE2-CD 4.39Å; F142-K206 HydrophobicContact CG-CD 4.19Å; F142-K206 HydrophobicContact CZ-CB 3.34Å; F142-K206 HydrophobicContact CZ-CD 4.11Å; F142-K206 HydrophobicContact CZ-CG 4.35Å; F142-I210 HydrophobicContact CE1-CD1 4.1Å; F142-I210 HydrophobicContact CZ-CD1 4.13Å
143	C	87.5	Confident	85	Confident	32 Å²	32	56 Å²	56	22%	0.216	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-43.4	176.4	-69.8	0	0	0	0	112.1	A138 D139 E140 A145 V146 R147	A138-C143 WeakPolarHBondContact CB-SG 3.43Å; D139-C143 PolarHBondContact O-N 2.91Å; E140-C143 PolarHBondContact O-N 2.98Å; C143-A145 VanDerWaalsContact C-N 3.34Å; C143-A145 PolarHBondContact O-N 3.05Å; C143-V146 PolarHBondContact O-N 2.83Å; C143-R147 WeakPolarHBondContact O-CB 3.5Å; C143-R147 PolarHBondContact O-N 2.89Å
144	N	86.6	Confident	85.2	Confident	56 Å²	56	49.9 Å²	49.9	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-67.4	-33.9	177.4	-68.3	-21.8	0	0	0	111.8	E140 F142 R147 S148	E140-N144 WeakPolarHBondContact O-CB 3.46Å; E140-N144 PolarHBondContact O-N 3.41Å; E140-N144 PolarHBondContact O-ND2 3.32Å; E140-N144 PolarHBondContact OE1-ND2 3.26Å; E140-N144 VanDerWaalsContact OE1-ND2 3.09Å; F142-N144 VanDerWaalsContact C-N 3.32Å; F142-N144 PolarHBondContact O-N 3Å; N144-R147 PolarHBondContact OD1-NH1 3.46Å; N144-S148 WeakPolarHBondContact O-CB 3.16Å; N144-S148 PolarHBondContact O-N 2.85Å; N144-S148 VanDerWaalsContact O-N 3.12Å
145	A	87.3	Confident	85.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-69.3	-42.5	171.9	0	0	0	0	0	113	A141 F142 C143 S148 Y149 I181 W203	A141-A145 WeakPolarHBondContact O-CB 3.46Å; A141-A145 PolarHBondContact O-N 3.4Å; F142-A145 WeakPolarHBondContact O-CB 3.16Å; F142-A145 PolarHBondContact O-N 2.83Å; F142-A145 VanDerWaalsContact O-N 3.15Å; C143-A145 VanDerWaalsContact C-N 3.34Å; C143-A145 PolarHBondContact O-N 3.05Å; A145-S148 PolarHBondContact O-N 2.97Å; A145-Y149 PolarHBondContact O-N 2.85Å; A145-I181 HydrophobicContact CB-CG2 3.94Å; A145-W203 HydrophobicContact CB-CZ3 4.14Å
146	V	89.7	Confident	85.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-40.5	176.2	175.2	0	0	0	0	111.1	F126 F129 L130 F142 C143 Y149 Y150 F177 I210	F126-V146 HydrophobicContact CD1-CG1 3.74Å; F126-V146 HydrophobicContact CE1-CG1 4.08Å; F129-V146 HydrophobicContact CD1-CB 4.34Å; F129-V146 HydrophobicContact CD1-CG1 3.7Å; F129-V146 HydrophobicContact CE1-CB 3.92Å; F129-V146 HydrophobicContact CE1-CG1 3.81Å; F129-V146 HydrophobicContact CE1-CG2 3.99Å; L130-V146 HydrophobicContact CD2-CB 4.38Å; L130-V146 HydrophobicContact CD2-CG1 4.11Å; L130-V146 HydrophobicContact CG-CG1 4.25Å; F142-V146 HydrophobicContact CD1-CG2 4.1Å; F142-V146 HydrophobicContact CD2-CG2 4.32Å; F142-V146 HydrophobicContact CE1-CG2 3.69Å; F142-V146 HydrophobicContact CE2-CG2 3.95Å; F142-V146 HydrophobicContact CG-CG2 4.4Å; F142-V146 HydrophobicContact CZ-CG2 3.6Å; F142-V146 WeakPolarHBondContact O-CG2 3.38Å; F142-V146 PolarHBondContact O-N 3.46Å; C143-V146 PolarHBondContact O-N 2.83Å; V146-Y149 PolarHBondContact O-N 3.39Å; V146-Y150 WeakPolarHBondContact O-CB 3.5Å; V146-Y150 PolarHBondContact O-N 3.21Å; V146-F177 HydrophobicContact CG2-CE2 4.06Å; V146-F177 HydrophobicContact CG2-CZ 4.07Å; V146-I210 HydrophobicContact CG2-CD1 4.48Å
147	R	88.6	Confident	85.9	Confident	118 Å²	118	49.5 Å²	49.5	45%	0.445	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-46.3	174.7	-163.5	-178.9	-61.6	112.4	2.3	111.3	L130 C143 N144 Y149 Y150 E151	L130-R147 HydrophobicContact CD1-CB 4.39Å; L130-R147 HydrophobicContact CD1-CG 4.42Å; L130-R147 HydrophobicContact CD2-CB 3.87Å; L130-R147 HydrophobicContact CD2-CG 4.42Å; C143-R147 WeakPolarHBondContact O-CB 3.5Å; C143-R147 PolarHBondContact O-N 2.89Å; N144-R147 PolarHBondContact OD1-NH1 3.46Å; R147-Y149 PolarHBondContact O-N 3.31Å; R147-Y150 PolarHBondContact O-N 3.43Å; R147-E151 PolarHBondContact O-N 2.91Å
148	S	85.3	Confident	86.2	Confident	27 Å²	27	44.8 Å²	44.8	19%	0.189	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-43.8	174.5	171.5	0	0	0	0	112.6	N144 A145 V152 R184	N144-S148 WeakPolarHBondContact O-CB 3.16Å; N144-S148 PolarHBondContact O-N 2.85Å; N144-S148 VanDerWaalsContact O-N 3.12Å; A145-S148 PolarHBondContact O-N 2.97Å; S148-V152 VanDerWaalsContact O-CB 3.26Å; S148-V152 WeakPolarHBondContact O-CB 3.38Å; S148-V152 WeakPolarHBondContact O-CG2 3.46Å; S148-V152 PolarHBondContact O-N 2.94Å; S148-R184 PolarHBondContact OG-NH2 2.91Å
149	Y	89.1	Confident	86.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-37.5	176.5	176.2	-105.5	0	0	0	112.7	F126 A145 V146 R147 F153 L154 F173 V176 F177 Y207	F126-Y149 HydrophobicContact CD1-CD1 4.02Å; F126-Y149 HydrophobicContact CD1-CE1 4.24Å; F126-Y149 AromaticContact CE1-CD1 3.65Å; F126-Y149 HydrophobicContact CE1-CD1 3.65Å; F126-Y149 AromaticContact CE1-CE1 3.69Å; F126-Y149 HydrophobicContact CE1-CE1 3.69Å; F126-Y149 HydrophobicContact CZ-CE1 4.14Å; A145-Y149 PolarHBondContact O-N 2.85Å; V146-Y149 PolarHBondContact O-N 3.39Å; R147-Y149 PolarHBondContact O-N 3.31Å; Y149-F153 HydrophobicContact CD2-CB 3.9Å; Y149-F153 AromaticContact CD2-CD1 3.98Å; Y149-F153 HydrophobicContact CD2-CD1 3.98Å; Y149-F153 HydrophobicContact CD2-CG 4.17Å; Y149-F153 HydrophobicContact CE1-CD1 4.38Å; Y149-F153 HydrophobicContact CE2-CB 4.05Å; Y149-F153 AromaticContact CE2-CD1 3.25Å; Y149-F153 HydrophobicContact CE2-CD1 3.25Å; Y149-F153 AromaticContact CE2-CE1 3.83Å; Y149-F153 HydrophobicContact CE2-CE1 3.83Å; Y149-F153 AromaticContact CE2-CG 3.79Å; Y149-F153 HydrophobicContact CE2-CG 3.79Å; Y149-F153 AromaticContact CZ-CD1 3.5Å; Y149-F153 AromaticContact CZ-CE1 3.86Å; Y149-F153 WeakPolarHBondContact O-CA 3.5Å; Y149-F153 VanDerWaalsContact O-CB 3.31Å; Y149-F153 WeakPolarHBondContact O-CB 3.45Å; Y149-F153 PolarHBondContact O-N 3.38Å; Y149-F153 VanDerWaalsContact O-N 3.07Å; Y149-F153 WeakPolarHBondContact OH-CE1 3.47Å; Y149-L154 HydrophobicContact CD1-CD1 3.94Å; Y149-L154 HydrophobicContact CD1-CG 3.99Å; Y149-L154 HydrophobicContact CE1-CD1 3.72Å; Y149-L154 HydrophobicContact CE1-CD2 3.85Å; Y149-L154 HydrophobicContact CE1-CG 3.66Å; Y149-L154 PolarHBondContact O-N 3.36Å; Y149-F173 PolarHBondContact OH-O 3.48Å; Y149-F173 VanDerWaalsContact OH-O 3.08Å; Y149-V176 HydrophobicContact CE2-CG1 4.36Å; Y149-F177 AromaticContact CD1-CD2 3.84Å; Y149-F177 HydrophobicContact CD1-CD2 3.84Å; Y149-F177 HydrophobicContact CD2-CB 4.03Å; Y149-F177 AromaticContact CD2-CD2 3.84Å; Y149-F177 HydrophobicContact CD2-CD2 3.84Å; Y149-F177 HydrophobicContact CD2-CG 4.45Å; Y149-F177 HydrophobicContact CE1-CB 4.47Å; Y149-F177 HydrophobicContact CE1-CD2 4.29Å; Y149-F177 HydrophobicContact CE2-CB 3.72Å; Y149-F177 HydrophobicContact CE2-CD2 4.3Å; Y149-F177 AromaticContact CG-CD2 3.58Å; Y149-F177 HydrophobicContact CG-CD2 3.58Å; Y149-F177 HydrophobicContact CG-CE2 4.33Å; Y149-Y207 AromaticContact CE1-CE2 3.89Å; Y149-Y207 HydrophobicContact CE1-CE2 3.89Å
150	Y	89.1	Confident	86.4	Confident	17 Å²	17	41 Å²	41	7%	0.067	21%	0.211	C	C	.	.	I	π-helix	trans	-66.5	-47.7	177.8	176.9	-94.7	0	0	0	112.2	K123 F126 Q127 L130 V146 R147 L154 K155	K123-Y150 HydrophobicContact CB-CE2 4.2Å; K123-Y150 HydrophobicContact CG-CE2 4.49Å; K123-Y150 WeakPolarHBondContact O-CE2 3.32Å; F126-Y150 HydrophobicContact CB-CD2 3.85Å; F126-Y150 HydrophobicContact CB-CE2 4.5Å; Q127-Y150 HydrophobicContact CB-CE2 4.09Å; Q127-Y150 PolarHBondContact OE1-OH 2.95Å; L130-Y150 HydrophobicContact CD1-CD1 4.17Å; L130-Y150 HydrophobicContact CD1-CG 4.05Å; V146-Y150 WeakPolarHBondContact O-CB 3.5Å; V146-Y150 PolarHBondContact O-N 3.21Å; R147-Y150 PolarHBondContact O-N 3.43Å; Y150-L154 HydrophobicContact CD2-CB 4.43Å; Y150-L154 HydrophobicContact CD2-CD1 4.02Å; Y150-L154 PolarHBondContact O-N 3.45Å; Y150-K155 HydrophobicContact CD1-CD 4.1Å; Y150-K155 HydrophobicContact CE1-CD 3.7Å; Y150-K155 VanDerWaalsContact CE1-CE 3.42Å; Y150-K155 HydrophobicContact CE1-CG 4.27Å; Y150-K155 WeakPolarHBondContact O-CB 3.3Å; Y150-K155 PolarHBondContact O-N 2.93Å
151	E	85.1	Confident	86.3	Confident	92 Å²	92	39.9 Å²	39.9	43%	0.43	20%	0.2	S	C	.	.	I	π-helix	trans	-70.8	-52.5	178.1	-62.3	-56	138.6	0	0	112.9	R147 K155	R147-E151 PolarHBondContact O-N 2.91Å; E151-K155 WeakPolarHBondContact O-CB 3.36Å; E151-K155 IonicContact OE1-NZ 3.79Å; E151-K155 PolarHBondContact OE1-NZ 2.99Å; E151-K155 WeakPolarHBondContact OE2-CD 3.19Å; E151-K155 WeakPolarHBondContact OE2-CE 3.39Å; E151-K155 IonicContact OE2-NZ 2.94Å; E151-K155 PolarHBondContact OE2-NZ 3.21Å
152	V	82.4	Confident	86.3	Confident	52 Å²	52	38.4 Å²	38.4	32%	0.315	19%	0.187	S	C	.	.	I	π-helix	trans	-78.1	-35.3	-170.6	-178.1	0	0	0	0	112.4	S148 F768	S148-V152 VanDerWaalsContact O-CB 3.26Å; S148-V152 WeakPolarHBondContact O-CB 3.38Å; S148-V152 WeakPolarHBondContact O-CG2 3.46Å; S148-V152 PolarHBondContact O-N 2.94Å; V152-F768 HydrophobicContact CG1-CE1 4.45Å; V152-F768 WeakPolarHBondContact O-CZ 3.46Å
153	F	87.8	Confident	86.1	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.018	19%	0.188	C	C	.	.	I	π-helix	trans	-105.8	-64.9	-176.6	-179.1	-98.3	0	0	0	112.7	Y149 K155 S156 V159 F173 V176 F768	Y149-F153 HydrophobicContact CD2-CB 3.9Å; Y149-F153 AromaticContact CD2-CD1 3.98Å; Y149-F153 HydrophobicContact CD2-CD1 3.98Å; Y149-F153 HydrophobicContact CD2-CG 4.17Å; Y149-F153 HydrophobicContact CE1-CD1 4.38Å; Y149-F153 HydrophobicContact CE2-CB 4.05Å; Y149-F153 AromaticContact CE2-CD1 3.25Å; Y149-F153 HydrophobicContact CE2-CD1 3.25Å; Y149-F153 AromaticContact CE2-CE1 3.83Å; Y149-F153 HydrophobicContact CE2-CE1 3.83Å; Y149-F153 AromaticContact CE2-CG 3.79Å; Y149-F153 HydrophobicContact CE2-CG 3.79Å; Y149-F153 AromaticContact CZ-CD1 3.5Å; Y149-F153 AromaticContact CZ-CE1 3.86Å; Y149-F153 WeakPolarHBondContact O-CA 3.5Å; Y149-F153 VanDerWaalsContact O-CB 3.31Å; Y149-F153 WeakPolarHBondContact O-CB 3.45Å; Y149-F153 PolarHBondContact O-N 3.38Å; Y149-F153 VanDerWaalsContact O-N 3.07Å; Y149-F153 WeakPolarHBondContact OH-CE1 3.47Å; F153-K155 PolarHBondContact O-N 3.45Å; F153-S156 WeakPolarHBondContact O-CB 3.22Å; F153-S156 PolarHBondContact O-N 3.42Å; F153-V159 HydrophobicContact CD1-CG2 4.38Å; F153-V159 HydrophobicContact CD2-CG2 3.6Å; F153-V159 HydrophobicContact CE1-CG1 4.24Å; F153-V159 HydrophobicContact CE1-CG2 4.28Å; F153-V159 HydrophobicContact CE2-CG2 3.47Å; F153-V159 VanDerWaalsContact CE2-CG2 3.47Å; F153-V159 HydrophobicContact CG-CG2 4.07Å; F153-V159 HydrophobicContact CZ-CG1 4.13Å; F153-V159 HydrophobicContact CZ-CG2 3.84Å; F153-V159 VanDerWaalsContact O-CG2 3.25Å; F153-V159 WeakPolarHBondContact O-CG2 3.38Å; F153-F173 HydrophobicContact CE1-CB 4.37Å; F153-F173 AromaticContact CE1-CD1 3.63Å; F153-F173 HydrophobicContact CE1-CD1 3.63Å; F153-F173 HydrophobicContact CE1-CD2 4.18Å; F153-F173 AromaticContact CE1-CE1 3.85Å; F153-F173 HydrophobicContact CE1-CE1 3.85Å; F153-F173 HydrophobicContact CE1-CE2 4.36Å; F153-F173 AromaticContact CE1-CG 3.8Å; F153-F173 HydrophobicContact CE1-CG 3.8Å; F153-F173 HydrophobicContact CE1-CZ 4.21Å; F153-F173 HydrophobicContact CZ-CD1 4.37Å; F153-F173 HydrophobicContact CZ-CD2 4.11Å; F153-F173 HydrophobicContact CZ-CE1 4.49Å; F153-F173 HydrophobicContact CZ-CE2 4.24Å; F153-F173 HydrophobicContact CZ-CG 4.17Å; F153-F173 HydrophobicContact CZ-CZ 4.43Å; F153-V176 HydrophobicContact CD2-CB 4.49Å; F153-V176 HydrophobicContact CD2-CG1 3.62Å; F153-V176 HydrophobicContact CE2-CB 4.1Å; F153-V176 HydrophobicContact CE2-CG1 3.68Å; F153-V176 HydrophobicContact CE2-CG2 4.11Å; F153-V176 HydrophobicContact CG-CG1 4.12Å; F153-V176 HydrophobicContact CZ-CB 4.25Å; F153-V176 HydrophobicContact CZ-CG1 4.22Å; F153-V176 HydrophobicContact CZ-CG2 4.39Å; F153-F768 HydrophobicContact CB-CE1 4.49Å; F153-F768 HydrophobicContact CB-CZ 4.4Å; F153-F768 HydrophobicContact CD2-CB 4.41Å; F153-F768 AromaticContact CD2-CD1 3.89Å; F153-F768 HydrophobicContact CD2-CD1 3.89Å; F153-F768 AromaticContact CD2-CD2 3.49Å; F153-F768 HydrophobicContact CD2-CD2 3.49Å; F153-F768 VanDerWaalsContact CD2-CD2 3.49Å; F153-F768 AromaticContact CD2-CE1 3.97Å; F153-F768 HydrophobicContact CD2-CE1 3.97Å; F153-F768 AromaticContact CD2-CE2 3.59Å; F153-F768 HydrophobicContact CD2-CE2 3.59Å; F153-F768 AromaticContact CD2-CG 3.66Å; F153-F768 HydrophobicContact CD2-CG 3.66Å; F153-F768 AromaticContact CD2-CZ 3.81Å; F153-F768 HydrophobicContact CD2-CZ 3.81Å; F153-F768 HydrophobicContact CE2-CB 4.22Å; F153-F768 AromaticContact CE2-CD2 3.6Å; F153-F768 HydrophobicContact CE2-CD2 3.6Å; F153-F768 HydrophobicContact CE2-CE2 4.08Å; F153-F768 AromaticContact CE2-CG 3.87Å; F153-F768 HydrophobicContact CE2-CG 3.87Å
154	L	87.3	Confident	85.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.205	C	C	.	.	I	π-helix	trans	-62.2	-40.1	-170.6	-66.2	177.4	0	0	0	112.9	L122 K123 F126 Y149 Y150 S156 F173	L122-L154 HydrophobicContact CD2-CD2 4.01Å; L122-L154 HydrophobicContact CG-CD2 4.49Å; K123-L154 WeakPolarHBondContact CE-O 3.4Å; K123-L154 HydrophobicContact CG-CB 4.42Å; K123-L154 PolarHBondContact NZ-O 3.2Å; F126-L154 HydrophobicContact CB-CD1 3.9Å; F126-L154 HydrophobicContact CD1-CD1 3.71Å; F126-L154 HydrophobicContact CD2-CD1 4.2Å; F126-L154 HydrophobicContact CE1-CD1 4.36Å; F126-L154 HydrophobicContact CG-CD1 3.64Å; Y149-L154 HydrophobicContact CD1-CD1 3.94Å; Y149-L154 HydrophobicContact CD1-CG 3.99Å; Y149-L154 HydrophobicContact CE1-CD1 3.72Å; Y149-L154 HydrophobicContact CE1-CD2 3.85Å; Y149-L154 HydrophobicContact CE1-CG 3.66Å; Y149-L154 PolarHBondContact O-N 3.36Å; Y150-L154 HydrophobicContact CD2-CB 4.43Å; Y150-L154 HydrophobicContact CD2-CD1 4.02Å; Y150-L154 PolarHBondContact O-N 3.45Å; L154-S156 VanDerWaalsContact C-N 3.32Å; L154-S156 PolarHBondContact O-N 2.91Å; L154-F173 HydrophobicContact CD2-CD1 3.76Å; L154-F173 HydrophobicContact CD2-CE1 3.67Å
155	K	87.1	Confident	85.1	Confident	91 Å²	91	41.7 Å²	41.7	40%	0.396	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-20.4	176.2	-89.9	168.2	156.9	178.8	0	114.1	Y150 E151 F153	Y150-K155 HydrophobicContact CD1-CD 4.1Å; Y150-K155 HydrophobicContact CE1-CD 3.7Å; Y150-K155 VanDerWaalsContact CE1-CE 3.42Å; Y150-K155 HydrophobicContact CE1-CG 4.27Å; Y150-K155 WeakPolarHBondContact O-CB 3.3Å; Y150-K155 PolarHBondContact O-N 2.93Å; E151-K155 WeakPolarHBondContact O-CB 3.36Å; E151-K155 IonicContact OE1-NZ 3.79Å; E151-K155 PolarHBondContact OE1-NZ 2.99Å; E151-K155 WeakPolarHBondContact OE2-CD 3.19Å; E151-K155 WeakPolarHBondContact OE2-CE 3.39Å; E151-K155 IonicContact OE2-NZ 2.94Å; E151-K155 PolarHBondContact OE2-NZ 3.21Å; F153-K155 PolarHBondContact O-N 3.45Å
156	S	85.4	Confident	84.3	Confident	25 Å²	25	42.1 Å²	42.1	18%	0.175	21%	0.205	C	C	.	.			trans	-66.9	131.5	-170	-166.9	0	0	0	0	114.5	F153 L154 R158 V159 A160	F153-S156 WeakPolarHBondContact O-CB 3.22Å; F153-S156 PolarHBondContact O-N 3.42Å; L154-S156 VanDerWaalsContact C-N 3.32Å; L154-S156 PolarHBondContact O-N 2.91Å; S156-R158 PolarHBondContact O-N 3Å; S156-R158 PolarHBondContact OG-NE 2.94Å; S156-V159 PolarHBondContact O-N 3.44Å; S156-A160 PolarHBondContact O-N 3.35Å
157	D	83.6	Confident	83.3	Confident	116 Å²	116	42.3 Å²	42.3	62%	0.62	21%	0.207	S	C	*	.	H	α-helix	trans	-59.4	-17.6	173	-71.7	-42.6	0	0	0	114.3	R161	D157-R161 WeakPolarHBondContact O-CB 3.4Å; D157-R161 WeakPolarHBondContact O-CG 3.47Å; D157-R161 PolarHBondContact O-N 3.18Å; D157-R161 VanDerWaalsContact O-N 3.12Å; D157-R161 PolarHBondContact O-NE 2.82Å; D157-R161 VanDerWaalsContact O-NE 3.14Å
158	R	85.1	Confident	82.7	Confident	27 Å²	27	36.7 Å²	36.7	10%	0.102	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-47.9	170.8	-65.1	-173.3	-72.5	-177.9	-5.5	110.6	S156 R161 M162 R763 Y764 P767 F768	S156-R158 PolarHBondContact O-N 3Å; S156-R158 PolarHBondContact OG-NE 2.94Å; R158-R161 PolarHBondContact O-N 2.95Å; R158-M162 PolarHBondContact O-N 2.82Å; R158-R763 WeakPolarHBondContact CD-O 3.4Å; R158-Y764 HydrophobicContact CG-CD1 3.96Å; R158-Y764 HydrophobicContact CG-CE1 3.96Å; R158-P767 HydrophobicContact CB-CB 3.84Å; R158-F768 HydrophobicContact CB-CE2 4.39Å; R158-F768 VanDerWaalsContact NH2-CZ 3.29Å
159	V	86	Confident	82.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-70.7	-40.4	177.2	-178.5	0	0	0	0	110.6	L119 F153 S156 R161 M162 V163 F173 F768	L119-V159 HydrophobicContact CD1-CG1 4.42Å; F153-V159 HydrophobicContact CD1-CG2 4.38Å; F153-V159 HydrophobicContact CD2-CG2 3.6Å; F153-V159 HydrophobicContact CE1-CG1 4.24Å; F153-V159 HydrophobicContact CE1-CG2 4.28Å; F153-V159 HydrophobicContact CE2-CG2 3.47Å; F153-V159 VanDerWaalsContact CE2-CG2 3.47Å; F153-V159 HydrophobicContact CG-CG2 4.07Å; F153-V159 HydrophobicContact CZ-CG1 4.13Å; F153-V159 HydrophobicContact CZ-CG2 3.84Å; F153-V159 VanDerWaalsContact O-CG2 3.25Å; F153-V159 WeakPolarHBondContact O-CG2 3.38Å; S156-V159 PolarHBondContact O-N 3.44Å; V159-R161 VanDerWaalsContact C-N 3.28Å; V159-R161 PolarHBondContact O-N 3.49Å; V159-M162 HydrophobicContact CG1-CE 4.32Å; V159-M162 PolarHBondContact O-N 3.12Å; V159-V163 HydrophobicContact CG1-CG2 4.44Å; V159-V163 WeakPolarHBondContact O-CG2 3.39Å; V159-V163 PolarHBondContact O-N 3.24Å; V159-F173 HydrophobicContact CG1-CE1 3.99Å; V159-F173 HydrophobicContact CG1-CE2 4.01Å; V159-F173 HydrophobicContact CG1-CZ 3.34Å; V159-F768 HydrophobicContact CG2-CD2 4.06Å; V159-F768 HydrophobicContact CG2-CE2 3.66Å
160	A	84.7	Confident	82.1	Confident	17 Å²	17	37 Å²	37	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-38.2	176.1	0	0	0	0	0	112.5	L119 S156 Q164	L119-A160 HydrophobicContact CD2-CB 4.42Å; S156-A160 PolarHBondContact O-N 3.35Å; A160-Q164 VanDerWaalsContact O-CG 3.28Å; A160-Q164 WeakPolarHBondContact O-CG 3.24Å; A160-Q164 PolarHBondContact O-N 3.22Å; A160-Q164 PolarHBondContact O-NE2 3.37Å
161	R	82.6	Confident	81.8	Confident	125 Å²	125	38.9 Å²	38.9	47%	0.472	20%	0.201	S	C	.	.	H	α-helix	trans	-72	-41.4	172.8	-81.1	179.7	-79.9	-167.5	-10.5	113	D157 R158 V159 V163 Q164 S165	D157-R161 WeakPolarHBondContact O-CB 3.4Å; D157-R161 WeakPolarHBondContact O-CG 3.47Å; D157-R161 PolarHBondContact O-N 3.18Å; D157-R161 VanDerWaalsContact O-N 3.12Å; D157-R161 PolarHBondContact O-NE 2.82Å; D157-R161 VanDerWaalsContact O-NE 3.14Å; R158-R161 PolarHBondContact O-N 2.95Å; V159-R161 VanDerWaalsContact C-N 3.28Å; V159-R161 PolarHBondContact O-N 3.49Å; R161-V163 VanDerWaalsContact C-N 3.29Å; R161-V163 PolarHBondContact O-N 3.21Å; R161-Q164 PolarHBondContact O-N 3.01Å; R161-Q164 VanDerWaalsContact O-N 3.1Å; R161-S165 PolarHBondContact O-N 3.36Å; R161-S165 PolarHBondContact O-OG 2.85Å
162	M	83.4	Confident	81.8	Confident	7 Å²	7	35.6 Å²	35.6	3%	0.034	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-35.9	176.1	-173.8	179.5	56.4	0	0	113.1	R158 V159 S165 G166 G167 C168 F173 P767 R770	R158-M162 PolarHBondContact O-N 2.82Å; V159-M162 HydrophobicContact CG1-CE 4.32Å; V159-M162 PolarHBondContact O-N 3.12Å; M162-S165 WeakPolarHBondContact CA-OG 3.42Å; M162-S165 PolarHBondContact O-OG 2.99Å; M162-G166 PolarHBondContact O-N 3.4Å; M162-G167 PolarHBondContact O-N 2.86Å; M162-G167 VanDerWaalsContact O-N 3.1Å; M162-C168 HydrophobicContact CE-CB 3.67Å; M162-C168 HydrophobicContact CG-CB 3.85Å; M162-C168 HydrophobicContact SD-CB 3.81Å; M162-F173 HydrophobicContact CE-CE2 4.28Å; M162-P767 HydrophobicContact CB-CG 4.05Å; M162-P767 HydrophobicContact CG-CG 4.28Å; M162-P767 HydrophobicContact SD-CG 3.76Å; M162-R770 HydrophobicContact SD-CB 4.02Å
163	V	83.8	Confident	82	Confident	4 Å²	4	33.1 Å²	33.1	2%	0.024	17%	0.171	C	C	.	.	H	α-helix	trans	-68.9	-40.1	172.6	165.5	0	0	0	0	111.4	L114 L119 V159 R161 G166 C168 F173	L114-V163 HydrophobicContact CB-CG2 4.38Å; L119-V163 HydrophobicContact CB-CG1 4.08Å; L119-V163 HydrophobicContact CB-CG2 4.36Å; L119-V163 HydrophobicContact CD2-CB 4.16Å; L119-V163 HydrophobicContact CD2-CG1 4.22Å; L119-V163 HydrophobicContact CD2-CG2 4.04Å; V159-V163 HydrophobicContact CG1-CG2 4.44Å; V159-V163 WeakPolarHBondContact O-CG2 3.39Å; V159-V163 PolarHBondContact O-N 3.24Å; R161-V163 VanDerWaalsContact C-N 3.29Å; R161-V163 PolarHBondContact O-N 3.21Å; V163-G166 PolarHBondContact O-N 2.92Å; V163-C168 VanDerWaalsContact CG2-SG 3.52Å; V163-F173 HydrophobicContact CG2-CE2 4.19Å; V163-F173 HydrophobicContact CG2-CZ 3.81Å
164	Q	80.1	Confident	82	Confident	123 Å²	123	36 Å²	36	58%	0.575	18%	0.182	S	C	*	.	H	α-helix	trans	-67.5	-37.7	177.1	-74.6	166.4	66.8	0	0	112.7	A160 R161 G166	A160-Q164 VanDerWaalsContact O-CG 3.28Å; A160-Q164 WeakPolarHBondContact O-CG 3.24Å; A160-Q164 PolarHBondContact O-N 3.22Å; A160-Q164 PolarHBondContact O-NE2 3.37Å; R161-Q164 PolarHBondContact O-N 3.01Å; R161-Q164 VanDerWaalsContact O-N 3.1Å; Q164-G166 PolarHBondContact O-N 3.05Å
165	S	74.4	Confident	82	Confident	31 Å²	31	37.8 Å²	37.8	22%	0.217	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.6	175.2	64.4	0	0	0	0	114	R161 M162 G167 G706 V708	R161-S165 PolarHBondContact O-N 3.36Å; R161-S165 PolarHBondContact O-OG 2.85Å; M162-S165 WeakPolarHBondContact CA-OG 3.42Å; M162-S165 PolarHBondContact O-OG 2.99Å; S165-G167 VanDerWaalsContact C-N 3.28Å; S165-G167 PolarHBondContact O-N 3.43Å; S165-G706 WeakPolarHBondContact CB-O 3.44Å; S165-V708 VanDerWaalsContact OG-CG2 3.32Å; S165-V708 WeakPolarHBondContact OG-CG2 3.08Å
166	G	70.6	Confident	82	Confident	8 Å²	8	33.9 Å²	33.9	8%	0.082	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	15.6	-179.9	0	0	0	0	0	115.1	K113 M162 V163 Q164 C168	K113-G166 VanDerWaalsContact CE-CA 3.48Å; M162-G166 PolarHBondContact O-N 3.4Å; V163-G166 PolarHBondContact O-N 2.92Å; Q164-G166 PolarHBondContact O-N 3.05Å; G166-C168 VanDerWaalsContact C-N 3.29Å; G166-C168 PolarHBondContact O-N 3.18Å
167	G	68.6	Low	82.2	Confident	4 Å²	4	32.7 Å²	32.7	4%	0.041	17%	0.166	C	C	.	.			trans	-76.7	-6.5	-174	0	0	0	0	0	115.9	M162 S165	M162-G167 PolarHBondContact O-N 2.86Å; M162-G167 VanDerWaalsContact O-N 3.1Å; S165-G167 VanDerWaalsContact C-N 3.28Å; S165-G167 PolarHBondContact O-N 3.43Å
168	C	75.9	Confident	82.5	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.			trans	-130.5	148.5	-170.9	59.1	0	0	0	0	114.4	L114 M162 V163 G166 D172 F173	L114-C168 PolarHBondContact N-O 3.1Å; L114-C168 VanDerWaalsContact N-O 3.08Å; M162-C168 HydrophobicContact CE-CB 3.67Å; M162-C168 HydrophobicContact CG-CB 3.85Å; M162-C168 HydrophobicContact SD-CB 3.81Å; V163-C168 VanDerWaalsContact CG2-SG 3.52Å; G166-C168 VanDerWaalsContact C-N 3.29Å; G166-C168 PolarHBondContact O-N 3.18Å; C168-D172 HydrophobicContact CB-CB 4.45Å; C168-F173 HydrophobicContact CB-CE2 4.22Å
169	S	81.7	Confident	82.4	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.014	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-108.4	171.6	174.9	73	0	0	0	0	112.5	Q111 Q112 N171 D172	Q111-S169 PolarHBondContact OE1-OG 2.98Å; Q112-S169 WeakPolarHBondContact O-CA 3.44Å; Q112-S169 WeakPolarHBondContact O-CB 3.32Å; S169-N171 PolarHBondContact O-N 3.38Å; S169-N171 PolarHBondContact OG-N 3.45Å; S169-N171 VanDerWaalsContact OG-N 3.17Å; S169-D172 WeakPolarHBondContact CB-OD2 3.36Å; S169-D172 PolarHBondContact N-OD2 2.83Å; S169-D172 PolarHBondContact O-N 3.47Å; S169-D172 PolarHBondContact OG-N 3Å; S169-D172 PolarHBondContact OG-OD2 3.16Å
170	A	80	Confident	82.2	Confident	32 Å²	32	33.9 Å²	33.9	26%	0.264	17%	0.168	S	C	.	.	H	α-helix	trans	-54.9	-30.6	167.9	0	0	0	0	0	113.6	R174 Y211	A170-R174 PolarHBondContact O-N 3.27Å; A170-Y211 HydrophobicContact CB-CE1 4.43Å; A170-Y211 HydrophobicContact CB-CE2 4.3Å; A170-Y211 WeakPolarHBondContact CB-OH 3.41Å
171	N	82.3	Confident	82.4	Confident	57 Å²	57	33.1 Å²	33.1	31%	0.305	16%	0.161	S	C	.	.	H	α-helix	trans	-78	-32.8	-177.5	-168.8	74.6	0	0	0	112.3	Q111 S169 F173 R174 E175	Q111-N171 VanDerWaalsContact OE1-CB 3.22Å; S169-N171 PolarHBondContact O-N 3.38Å; S169-N171 PolarHBondContact OG-N 3.45Å; S169-N171 VanDerWaalsContact OG-N 3.17Å; N171-F173 VanDerWaalsContact C-N 3.32Å; N171-F173 PolarHBondContact O-N 3.5Å; N171-R174 WeakPolarHBondContact O-CB 3.45Å; N171-R174 PolarHBondContact O-N 3.01Å; N171-E175 PolarHBondContact O-N 3.44Å
172	D	84.4	Confident	82.4	Confident	22 Å²	22	29.4 Å²	29.4	12%	0.118	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-41.6	175.5	-63.9	-70.8	0	0	0	111.3	C168 S169 E175 V176 R770	C168-D172 HydrophobicContact CB-CB 4.45Å; S169-D172 WeakPolarHBondContact CB-OD2 3.36Å; S169-D172 PolarHBondContact N-OD2 2.83Å; S169-D172 PolarHBondContact O-N 3.47Å; S169-D172 PolarHBondContact OG-N 3Å; S169-D172 PolarHBondContact OG-OD2 3.16Å; D172-E175 PolarHBondContact O-N 3.44Å; D172-V176 VanDerWaalsContact O-CG2 3.3Å; D172-V176 WeakPolarHBondContact O-CG2 3.4Å; D172-V176 PolarHBondContact O-N 2.9Å; D172-R770 HydrophobicContact CB-CG 4.46Å; D172-R770 WeakPolarHBondContact OD1-CD 3.43Å; D172-R770 IonicContact OD1-NH1 2.84Å
173	F	88.1	Confident	81.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-46.4	174.7	-83.1	-127.3	0	0	0	110.9	L114 L119 L122 Y149 F153 L154 V159 M162 V163 C168 N171 V176 F177	L114-F173 HydrophobicContact CD1-CD1 4.05Å; L114-F173 HydrophobicContact CD1-CD2 3.46Å; L114-F173 VanDerWaalsContact CD1-CD2 3.46Å; L114-F173 HydrophobicContact CD1-CE1 4.03Å; L114-F173 HydrophobicContact CD1-CE2 3.45Å; L114-F173 VanDerWaalsContact CD1-CE2 3.45Å; L114-F173 HydrophobicContact CD1-CG 3.79Å; L114-F173 HydrophobicContact CD1-CZ 3.74Å; L119-F173 HydrophobicContact CD1-CE1 3.75Å; L119-F173 HydrophobicContact CD1-CZ 3.97Å; L122-F173 HydrophobicContact CD2-CD1 3.56Å; L122-F173 HydrophobicContact CD2-CE1 3.88Å; Y149-F173 PolarHBondContact OH-O 3.48Å; Y149-F173 VanDerWaalsContact OH-O 3.08Å; F153-F173 HydrophobicContact CE1-CB 4.37Å; F153-F173 AromaticContact CE1-CD1 3.63Å; F153-F173 HydrophobicContact CE1-CD1 3.63Å; F153-F173 HydrophobicContact CE1-CD2 4.18Å; F153-F173 AromaticContact CE1-CE1 3.85Å; F153-F173 HydrophobicContact CE1-CE1 3.85Å; F153-F173 HydrophobicContact CE1-CE2 4.36Å; F153-F173 AromaticContact CE1-CG 3.8Å; F153-F173 HydrophobicContact CE1-CG 3.8Å; F153-F173 HydrophobicContact CE1-CZ 4.21Å; F153-F173 HydrophobicContact CZ-CD1 4.37Å; F153-F173 HydrophobicContact CZ-CD2 4.11Å; F153-F173 HydrophobicContact CZ-CE1 4.49Å; F153-F173 HydrophobicContact CZ-CE2 4.24Å; F153-F173 HydrophobicContact CZ-CG 4.17Å; F153-F173 HydrophobicContact CZ-CZ 4.43Å; L154-F173 HydrophobicContact CD2-CD1 3.76Å; L154-F173 HydrophobicContact CD2-CE1 3.67Å; V159-F173 HydrophobicContact CG1-CE1 3.99Å; V159-F173 HydrophobicContact CG1-CE2 4.01Å; V159-F173 HydrophobicContact CG1-CZ 3.34Å; M162-F173 HydrophobicContact CE-CE2 4.28Å; V163-F173 HydrophobicContact CG2-CE2 4.19Å; V163-F173 HydrophobicContact CG2-CZ 3.81Å; C168-F173 HydrophobicContact CB-CE2 4.22Å; N171-F173 VanDerWaalsContact C-N 3.32Å; N171-F173 PolarHBondContact O-N 3.5Å; F173-V176 PolarHBondContact O-N 2.92Å; F173-F177 PolarHBondContact O-N 3.41Å
174	R	87.7	Confident	81.5	Confident	65 Å²	65	37.7 Å²	37.7	25%	0.245	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-45.5	178.2	-173.9	-177.7	-172	-88	9.2	113.1	A170 N171 F177 K178 I204 Y207 D208	A170-R174 PolarHBondContact O-N 3.27Å; N171-R174 WeakPolarHBondContact O-CB 3.45Å; N171-R174 PolarHBondContact O-N 3.01Å; R174-F177 PolarHBondContact O-N 3.42Å; R174-K178 WeakPolarHBondContact O-CB 3.46Å; R174-K178 PolarHBondContact O-N 2.85Å; R174-I204 VanDerWaalsContact CZ-CG2 3.46Å; R174-Y207 HydrophobicContact CB-CD1 4.45Å; R174-Y207 HydrophobicContact CB-CE1 3.69Å; R174-Y207 HydrophobicContact CG-CD1 4Å; R174-Y207 HydrophobicContact CG-CE1 3.73Å; R174-Y207 PolarHBondContact N-OH 2.85Å; R174-D208 WeakPolarHBondContact CD-OD1 3.44Å; R174-D208 IonicContact CZ-OD1 2.64Å; R174-D208 IonicContact CZ-OD2 2.86Å; R174-D208 IonicContact NE-OD1 2.94Å; R174-D208 PolarHBondContact NE-OD1 3.21Å; R174-D208 IonicContact NE-OD2 2.74Å; R174-D208 PolarHBondContact NE-OD2 3.06Å; R174-D208 VanDerWaalsContact NE-OD2 3.15Å; R174-D208 IonicContact NH2-OD1 2.69Å; R174-D208 IonicContact NH2-OD2 3.46Å; R174-D208 PolarHBondContact NH2-OD2 3.05Å
175	E	87	Confident	81.6	Confident	37 Å²	37	32 Å²	32	17%	0.173	16%	0.156	C	C	.	.	H	α-helix	trans	-76.7	-20.3	179.6	-63.6	-60.2	115.9	0	0	112.8	N171 D172 K178 K179	N171-E175 PolarHBondContact O-N 3.44Å; D172-E175 PolarHBondContact O-N 3.44Å; E175-K178 WeakPolarHBondContact OE2-CD 3.2Å; E175-K178 IonicContact OE2-NZ 3.43Å; E175-K178 PolarHBondContact OE2-NZ 3.38Å; E175-K179 PolarHBondContact O-N 2.94Å; E175-K179 VanDerWaalsContact O-N 3.15Å
176	V	87.3	Confident	81.7	Confident	9 Å²	9	38.3 Å²	38.3	6%	0.055	18%	0.175	C	C	.	.	H	α-helix	trans	-72.9	-43.5	165.5	173.5	0	0	0	0	111.2	Y149 F153 D172 F173 K178 K179 N180 F768 R770	Y149-V176 HydrophobicContact CE2-CG1 4.36Å; F153-V176 HydrophobicContact CD2-CB 4.49Å; F153-V176 HydrophobicContact CD2-CG1 3.62Å; F153-V176 HydrophobicContact CE2-CB 4.1Å; F153-V176 HydrophobicContact CE2-CG1 3.68Å; F153-V176 HydrophobicContact CE2-CG2 4.11Å; F153-V176 HydrophobicContact CG-CG1 4.12Å; F153-V176 HydrophobicContact CZ-CB 4.25Å; F153-V176 HydrophobicContact CZ-CG1 4.22Å; F153-V176 HydrophobicContact CZ-CG2 4.39Å; D172-V176 VanDerWaalsContact O-CG2 3.3Å; D172-V176 WeakPolarHBondContact O-CG2 3.4Å; D172-V176 PolarHBondContact O-N 2.9Å; F173-V176 PolarHBondContact O-N 2.92Å; V176-K178 VanDerWaalsContact C-N 3.28Å; V176-K178 PolarHBondContact O-N 2.82Å; V176-K179 PolarHBondContact O-N 2.85Å; V176-N180 PolarHBondContact O-N 3.02Å; V176-N180 VanDerWaalsContact O-N 3.17Å; V176-F768 HydrophobicContact CG1-CB 4.33Å; V176-F768 HydrophobicContact CG2-CB 4.19Å; V176-R770 HydrophobicContact CG2-CG 3.91Å
177	F	89.1	Confident	81.7	Confident	1 Å²	1	42.6 Å²	42.6	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-56.3	-46.2	172.4	-179.7	-105.6	0	0	0	110.9	F142 V146 Y149 F173 R174 K179 N180 I181 I204 Y207	F142-F177 HydrophobicContact CD2-CZ 4.45Å; F142-F177 HydrophobicContact CE2-CE1 4.16Å; F142-F177 AromaticContact CE2-CZ 3.73Å; F142-F177 HydrophobicContact CE2-CZ 3.73Å; F142-F177 HydrophobicContact CZ-CZ 4.38Å; V146-F177 HydrophobicContact CG2-CE2 4.06Å; V146-F177 HydrophobicContact CG2-CZ 4.07Å; Y149-F177 AromaticContact CD1-CD2 3.84Å; Y149-F177 HydrophobicContact CD1-CD2 3.84Å; Y149-F177 HydrophobicContact CD2-CB 4.03Å; Y149-F177 AromaticContact CD2-CD2 3.84Å; Y149-F177 HydrophobicContact CD2-CD2 3.84Å; Y149-F177 HydrophobicContact CD2-CG 4.45Å; Y149-F177 HydrophobicContact CE1-CB 4.47Å; Y149-F177 HydrophobicContact CE1-CD2 4.29Å; Y149-F177 HydrophobicContact CE2-CB 3.72Å; Y149-F177 HydrophobicContact CE2-CD2 4.3Å; Y149-F177 AromaticContact CG-CD2 3.58Å; Y149-F177 HydrophobicContact CG-CD2 3.58Å; Y149-F177 HydrophobicContact CG-CE2 4.33Å; F173-F177 PolarHBondContact O-N 3.41Å; R174-F177 PolarHBondContact O-N 3.42Å; F177-K179 PolarHBondContact O-N 2.94Å; F177-N180 WeakPolarHBondContact O-CB 3.42Å; F177-N180 PolarHBondContact O-N 3.15Å; F177-I181 HydrophobicContact CD1-CD1 4.26Å; F177-I181 HydrophobicContact CD1-CG2 4.46Å; F177-I181 HydrophobicContact CE1-CD1 3.89Å; F177-I181 HydrophobicContact CE1-CG1 4.44Å; F177-I181 HydrophobicContact CE1-CG2 3.92Å; F177-I181 HydrophobicContact CE2-CG2 3.98Å; F177-I181 HydrophobicContact CZ-CG2 3.66Å; F177-I181 WeakPolarHBondContact O-CG1 3.32Å; F177-I181 PolarHBondContact O-N 3.21Å; F177-I204 HydrophobicContact CD1-CD1 4.07Å; F177-Y207 HydrophobicContact CB-CD2 3.77Å; F177-Y207 HydrophobicContact CB-CE2 3.69Å; F177-Y207 AromaticContact CD1-CD2 3.36Å; F177-Y207 HydrophobicContact CD1-CD2 3.36Å; F177-Y207 HydrophobicContact CD1-CE2 4.2Å; F177-Y207 AromaticContact CD1-CG 3.68Å; F177-Y207 HydrophobicContact CD1-CG 3.68Å; F177-Y207 AromaticContact CD2-CD2 3.94Å; F177-Y207 HydrophobicContact CD2-CD2 3.94Å; F177-Y207 HydrophobicContact CD2-CE2 4.39Å; F177-Y207 AromaticContact CE1-CD2 3.89Å; F177-Y207 HydrophobicContact CE1-CD2 3.89Å; F177-Y207 HydrophobicContact CE1-CG 4.07Å; F177-Y207 HydrophobicContact CE2-CD2 4.4Å; F177-Y207 AromaticContact CG-CD2 3.39Å; F177-Y207 HydrophobicContact CG-CD2 3.39Å; F177-Y207 AromaticContact CG-CE2 3.84Å; F177-Y207 HydrophobicContact CG-CE2 3.84Å; F177-Y207 HydrophobicContact CG-CG 4.17Å; F177-Y207 HydrophobicContact CZ-CD2 4.38Å
178	K	88.6	Confident	81.9	Confident	59 Å²	59	45.2 Å²	45.2	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-54.6	-49.6	175.3	-171.5	-169	169.1	-163.5	0	113.1	R174 E175 V176 N180 I181 E182 I204	R174-K178 WeakPolarHBondContact O-CB 3.46Å; R174-K178 PolarHBondContact O-N 2.85Å; E175-K178 WeakPolarHBondContact OE2-CD 3.2Å; E175-K178 IonicContact OE2-NZ 3.43Å; E175-K178 PolarHBondContact OE2-NZ 3.38Å; V176-K178 VanDerWaalsContact C-N 3.28Å; V176-K178 PolarHBondContact O-N 2.82Å; K178-N180 VanDerWaalsContact C-N 3.35Å; K178-N180 PolarHBondContact O-N 2.69Å; K178-I181 VanDerWaalsContact O-CG1 3.25Å; K178-I181 WeakPolarHBondContact O-CG1 3.43Å; K178-I181 PolarHBondContact O-N 2.73Å; K178-E182 VanDerWaalsContact CE-OE1 3.28Å; K178-E182 WeakPolarHBondContact CE-OE1 3.33Å; K178-E182 HydrophobicContact CG-CG 4.48Å; K178-E182 WeakPolarHBondContact O-CB 3.26Å; K178-E182 WeakPolarHBondContact O-CG 3.24Å; K178-E182 PolarHBondContact O-N 2.89Å; K178-I204 HydrophobicContact CB-CD1 3.76Å; K178-I204 HydrophobicContact CG-CD1 4.02Å
179	K	83.2	Confident	81.7	Confident	78 Å²	78	50 Å²	50	34%	0.339	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-41	178.6	-75.1	-173.2	-177.6	-179.5	0	112	E175 V176 F177 E182 E772	E175-K179 PolarHBondContact O-N 2.94Å; E175-K179 VanDerWaalsContact O-N 3.15Å; V176-K179 PolarHBondContact O-N 2.85Å; F177-K179 PolarHBondContact O-N 2.94Å; K179-E182 PolarHBondContact O-N 2.88Å; K179-E772 IonicContact NZ-OE1 3.27Å; K179-E772 PolarHBondContact NZ-OE1 3.32Å
180	N	83.6	Confident	81	Confident	31 Å²	31	58.1 Å²	58.1	17%	0.166	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-49.1	174.6	-176.4	-28	0	0	0	111.7	V176 F177 K178 R184	V176-N180 PolarHBondContact O-N 3.02Å; V176-N180 VanDerWaalsContact O-N 3.17Å; F177-N180 WeakPolarHBondContact O-CB 3.42Å; F177-N180 PolarHBondContact O-N 3.15Å; K178-N180 VanDerWaalsContact C-N 3.35Å; K178-N180 PolarHBondContact O-N 2.69Å; N180-R184 PolarHBondContact OD1-NE 3.34Å
181	I	87.3	Confident	80.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-72	-29	179.8	62.7	165.9	0	0	0	113.9	A145 F177 K178 K183 R184 V185 L200 W203 I204	A145-I181 HydrophobicContact CB-CG2 3.94Å; F177-I181 HydrophobicContact CD1-CD1 4.26Å; F177-I181 HydrophobicContact CD1-CG2 4.46Å; F177-I181 HydrophobicContact CE1-CD1 3.89Å; F177-I181 HydrophobicContact CE1-CG1 4.44Å; F177-I181 HydrophobicContact CE1-CG2 3.92Å; F177-I181 HydrophobicContact CE2-CG2 3.98Å; F177-I181 HydrophobicContact CZ-CG2 3.66Å; F177-I181 WeakPolarHBondContact O-CG1 3.32Å; F177-I181 PolarHBondContact O-N 3.21Å; K178-I181 VanDerWaalsContact O-CG1 3.25Å; K178-I181 WeakPolarHBondContact O-CG1 3.43Å; K178-I181 PolarHBondContact O-N 2.73Å; I181-K183 VanDerWaalsContact C-N 3.34Å; I181-K183 PolarHBondContact O-N 2.7Å; I181-R184 PolarHBondContact O-N 3.38Å; I181-V185 WeakPolarHBondContact O-CB 3.15Å; I181-V185 WeakPolarHBondContact O-CG2 3.35Å; I181-V185 PolarHBondContact O-N 2.67Å; I181-L200 HydrophobicContact CD1-CD1 3.61Å; I181-L200 HydrophobicContact CD1-CG 4.5Å; I181-L200 HydrophobicContact CG1-CD1 3.64Å; I181-W203 HydrophobicContact CB-CE3 3.76Å; I181-W203 HydrophobicContact CB-CZ3 4.08Å; I181-W203 HydrophobicContact CD1-CB 3.81Å; I181-W203 HydrophobicContact CD1-CE3 4.2Å; I181-W203 HydrophobicContact CG2-CE3 3.71Å; I181-W203 HydrophobicContact CG2-CZ3 4.01Å; I181-I204 HydrophobicContact CD1-CD1 3.98Å; I181-I204 HydrophobicContact CD1-CG1 3.99Å
182	E	83.4	Confident	79.7	Confident	48 Å²	48	66.8 Å²	66.8	22%	0.224	33%	0.327	C	S	.	.	H	α-helix	trans	-59	-43	176.6	-85.5	-171.8	-140.3	0	0	112	K178 K179 R186 L200	K178-E182 VanDerWaalsContact CE-OE1 3.28Å; K178-E182 WeakPolarHBondContact CE-OE1 3.33Å; K178-E182 HydrophobicContact CG-CG 4.48Å; K178-E182 WeakPolarHBondContact O-CB 3.26Å; K178-E182 WeakPolarHBondContact O-CG 3.24Å; K178-E182 PolarHBondContact O-N 2.89Å; K179-E182 PolarHBondContact O-N 2.88Å; E182-R186 WeakPolarHBondContact O-CB 3.45Å; E182-R186 WeakPolarHBondContact O-CD 3.41Å; E182-R186 WeakPolarHBondContact O-CG 3.27Å; E182-R186 PolarHBondContact O-N 2.8Å; E182-R186 VanDerWaalsContact O-N 3.08Å; E182-R186 IonicContact OE2-CZ 3.04Å; E182-R186 IonicContact OE2-NH2 2.76Å; E182-R186 PolarHBondContact OE2-NH2 3.01Å; E182-L200 HydrophobicContact CB-CD1 4.42Å; E182-L200 HydrophobicContact CG-CD1 3.6Å; E182-L200 HydrophobicContact CG-CD2 3.86Å; E182-L200 HydrophobicContact CG-CG 4.41Å
183	K	70.5	Confident	78.9	Confident	96 Å²	96	70 Å²	70	42%	0.417	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-50.7	173.8	-80	-172.1	170.6	-177	0	111.3	I181 V185 R186 S187 E856	I181-K183 VanDerWaalsContact C-N 3.34Å; I181-K183 PolarHBondContact O-N 2.7Å; K183-V185 PolarHBondContact O-N 2.78Å; K183-R186 WeakPolarHBondContact O-CB 3.41Å; K183-R186 PolarHBondContact O-N 3.05Å; K183-S187 PolarHBondContact O-N 2.86Å; K183-S187 VanDerWaalsContact O-N 3.14Å; K183-S187 PolarHBondContact O-OG 3.17Å; K183-E856 VanDerWaalsContact CD-OE2 3.3Å; K183-E856 WeakPolarHBondContact CD-OE2 3.25Å; K183-E856 WeakPolarHBondContact CE-OE2 3.31Å; K183-E856 IonicContact NZ-OE2 2.78Å; K183-E856 PolarHBondContact NZ-OE2 3.4Å
184	R	78.5	Confident	78.3	Confident	88 Å²	88	74.2 Å²	74.2	33%	0.332	39%	0.387	S	S	.	.	H	α-helix	trans	-57.7	-46.6	-178.7	-66.3	174.8	178.5	-85.4	-8.5	112.1	S148 N180 I181 S187 L188	S148-R184 PolarHBondContact OG-NH2 2.91Å; N180-R184 PolarHBondContact OD1-NE 3.34Å; I181-R184 PolarHBondContact O-N 3.38Å; R184-S187 WeakPolarHBondContact CA-OG 3.24Å; R184-S187 PolarHBondContact O-N 3.14Å; R184-S187 PolarHBondContact O-OG 2.94Å; R184-L188 PolarHBondContact O-N 3.12Å
185	V	81.4	Confident	78.1	Confident	5 Å²	5	73.9 Å²	73.9	3%	0.03	39%	0.394	C	S	.	.	H	α-helix	trans	-70.4	-30.5	-179.7	175.2	0	0	0	0	112.1	I181 K183 L188 K196 V199 W203	I181-V185 WeakPolarHBondContact O-CB 3.15Å; I181-V185 WeakPolarHBondContact O-CG2 3.35Å; I181-V185 PolarHBondContact O-N 2.67Å; K183-V185 PolarHBondContact O-N 2.78Å; V185-L188 PolarHBondContact O-N 3.35Å; V185-K196 HydrophobicContact CG1-CB 3.92Å; V185-K196 HydrophobicContact CG1-CG 4.22Å; V185-K196 WeakPolarHBondContact CG1-O 3.27Å; V185-K196 WeakPolarHBondContact O-CD 3.42Å; V185-V199 HydrophobicContact CG1-CB 4.21Å; V185-V199 HydrophobicContact CG1-CG1 4.19Å; V185-V199 HydrophobicContact CG2-CG1 4.04Å; V185-W203 HydrophobicContact CG2-CD2 4.4Å; V185-W203 HydrophobicContact CG2-CE3 3.8Å; V185-W203 HydrophobicContact CG2-CH2 4.09Å; V185-W203 HydrophobicContact CG2-CZ3 3.62Å
186	R	75.7	Confident	77.9	Confident	163 Å²	163	75.4 Å²	75.4	62%	0.615	40%	0.4	S	S	*	.	H	α-helix	trans	-63.1	-43.7	170.6	-72.1	168.4	-154.5	-166.9	8.1	111.4	E182 K183 L188 K196	E182-R186 WeakPolarHBondContact O-CB 3.45Å; E182-R186 WeakPolarHBondContact O-CD 3.41Å; E182-R186 WeakPolarHBondContact O-CG 3.27Å; E182-R186 PolarHBondContact O-N 2.8Å; E182-R186 VanDerWaalsContact O-N 3.08Å; E182-R186 IonicContact OE2-CZ 3.04Å; E182-R186 IonicContact OE2-NH2 2.76Å; E182-R186 PolarHBondContact OE2-NH2 3.01Å; K183-R186 WeakPolarHBondContact O-CB 3.41Å; K183-R186 PolarHBondContact O-N 3.05Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.04Å; R186-K196 PolarHBondContact O-NZ 3.12Å
187	S	70.6	Confident	77.7	Confident	98 Å²	98	82.2 Å²	82.2	69%	0.685	43%	0.431	S	S	*	.	H	α-helix	trans	-73.6	-11.7	179.1	49.4	0	0	0	0	115.7	K183 R184	K183-S187 PolarHBondContact O-N 2.86Å; K183-S187 VanDerWaalsContact O-N 3.14Å; K183-S187 PolarHBondContact O-OG 3.17Å; R184-S187 WeakPolarHBondContact CA-OG 3.24Å; R184-S187 PolarHBondContact O-N 3.14Å; R184-S187 PolarHBondContact O-OG 2.94Å
188	L	73	Confident	77.6	Confident	58 Å²	58	85.6 Å²	85.6	30%	0.304	45%	0.452	S	S	.	.	S	Bend	trans	-67.6	145.1	173.2	-71.1	175.8	0	0	0	111.1	R184 V185 R186 K196	R184-L188 PolarHBondContact O-N 3.12Å; V185-L188 PolarHBondContact O-N 3.35Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.04Å; L188-K196 VanDerWaalsContact O-CE 3.31Å; L188-K196 WeakPolarHBondContact O-CE 3.05Å; L188-K196 PolarHBondContact O-NZ 3.29Å
189	P	72.6	Confident	77.4	Confident	101 Å²	101	84 Å²	84	66%	0.656	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-60.1	158.6	168.1	28.4	-35.2	0	0	0	110.6
190	E	67.4	Low	77.6	Confident	172 Å²	172	81.8 Å²	81.8	80%	0.804	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-74.8	135.7	177.9	-54.7	-160.2	142.5	0	0	110.3
191	I	72.1	Confident	77.8	Confident	99 Å²	99	84 Å²	84	51%	0.508	46%	0.457	S	S	.	.	B	Isolated β-bridge	trans	-112.6	122.5	-176.6	-58.3	175.2	0	0	0	107.5	G193 L194	I191-G193 PolarHBondContact O-N 3.06Å; I191-L194 HydrophobicContact CB-CB 4.45Å; I191-L194 HydrophobicContact CG2-CB 4.45Å; I191-L194 PolarHBondContact O-N 2.87Å; I191-L194 VanDerWaalsContact O-N 3.07Å
192	D	61.3	Low	77.9	Confident	173 Å²	173	86.7 Å²	86.7	93%	0.925	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	123	-178.8	-84.4	-43.6	0	0	0	111.8
193	G	68.1	Low	78.3	Confident	88 Å²	88	84.7 Å²	84.7	91%	0.907	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-1.6	178.7	0	0	0	0	0	116.7	I191	I191-G193 PolarHBondContact O-N 3.06Å
194	L	76.8	Confident	79.3	Confident	90 Å²	90	80.9 Å²	80.9	47%	0.471	45%	0.45	S	S	.	.	B	Isolated β-bridge	trans	-123.8	111.1	-179	-96.9	163	0	0	0	112.7	I191 T198 V199	I191-L194 HydrophobicContact CB-CB 4.45Å; I191-L194 HydrophobicContact CG2-CB 4.45Å; I191-L194 PolarHBondContact O-N 2.87Å; I191-L194 VanDerWaalsContact O-N 3.07Å; L194-T198 HydrophobicContact CD2-CG2 3.92Å; L194-V199 HydrophobicContact CD2-CG2 4.45Å
195	S	82.6	Confident	79.8	Confident	57 Å²	57	79.4 Å²	79.4	40%	0.399	46%	0.457	S	S	.	.			trans	-72.5	145.6	175.6	79	0	0	0	0	112	E197 T198 V199	S195-E197 PolarHBondContact O-N 2.8Å; S195-T198 WeakPolarHBondContact O-CA 3.35Å; S195-T198 WeakPolarHBondContact O-CB 3.35Å; S195-T198 PolarHBondContact O-N 3.21Å; S195-T198 PolarHBondContact OG-N 2.96Å; S195-T198 PolarHBondContact OG-OG1 3.45Å; S195-V199 PolarHBondContact O-N 3.26Å; S195-V199 VanDerWaalsContact O-N 3.11Å
196	K	82.8	Confident	80.2	Confident	70 Å²	70	81 Å²	81	30%	0.304	46%	0.463	S	S	.	.	H	α-helix	trans	-57.6	-32.3	177.5	-71	-176.3	172.8	-177.2	0	112.5	V185 R186 L188 V199 L200	V185-K196 HydrophobicContact CG1-CB 3.92Å; V185-K196 HydrophobicContact CG1-CG 4.22Å; V185-K196 WeakPolarHBondContact CG1-O 3.27Å; V185-K196 WeakPolarHBondContact O-CD 3.42Å; R186-K196 PolarHBondContact O-NZ 3.12Å; L188-K196 VanDerWaalsContact O-CE 3.31Å; L188-K196 WeakPolarHBondContact O-CE 3.05Å; L188-K196 PolarHBondContact O-NZ 3.29Å; K196-V199 PolarHBondContact O-N 3.04Å; K196-L200 WeakPolarHBondContact O-CB 3.4Å; K196-L200 PolarHBondContact O-N 3.11Å
197	E	84	Confident	80.9	Confident	151 Å²	151	73.3 Å²	73.3	71%	0.706	43%	0.434	S	S	*	.	H	α-helix	trans	-67.6	-34.1	172.3	-61.2	-176.3	151.3	0	0	113.5	S195 S201	S195-E197 PolarHBondContact O-N 2.8Å; E197-S201 WeakPolarHBondContact O-CB 3.4Å; E197-S201 PolarHBondContact O-N 2.95Å; E197-S201 PolarHBondContact O-OG 3.16Å
198	T	85.7	Confident	81.8	Confident	73 Å²	73	70.3 Å²	70.3	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-70	-41.7	176.2	-55.4	0	0	0	0	110.7	L194 S195 S201 S202	L194-T198 HydrophobicContact CD2-CG2 3.92Å; S195-T198 WeakPolarHBondContact O-CA 3.35Å; S195-T198 WeakPolarHBondContact O-CB 3.35Å; S195-T198 PolarHBondContact O-N 3.21Å; S195-T198 PolarHBondContact OG-N 2.96Å; S195-T198 PolarHBondContact OG-OG1 3.45Å; T198-S201 PolarHBondContact O-N 2.84Å; T198-S202 WeakPolarHBondContact O-CB 3.33Å; T198-S202 PolarHBondContact O-N 2.97Å
199	V	85.4	Confident	82.5	Confident	24 Å²	24	69 Å²	69	15%	0.145	41%	0.408	C	S	.	.	H	α-helix	trans	-60.3	-49.2	173.1	179	0	0	0	0	110.5	V185 L194 S195 K196 S201 S202 W203	V185-V199 HydrophobicContact CG1-CB 4.21Å; V185-V199 HydrophobicContact CG1-CG1 4.19Å; V185-V199 HydrophobicContact CG2-CG1 4.04Å; L194-V199 HydrophobicContact CD2-CG2 4.45Å; S195-V199 PolarHBondContact O-N 3.26Å; S195-V199 VanDerWaalsContact O-N 3.11Å; K196-V199 PolarHBondContact O-N 3.04Å; V199-S201 VanDerWaalsContact C-N 3.34Å; V199-S201 PolarHBondContact O-N 2.99Å; V199-S202 WeakPolarHBondContact O-CB 3.49Å; V199-S202 PolarHBondContact O-N 2.81Å; V199-W203 HydrophobicContact CG1-CD2 4.3Å; V199-W203 HydrophobicContact CG1-CZ2 4.39Å; V199-W203 PolarHBondContact O-N 2.9Å
200	L	87.4	Confident	83.2	Confident	32 Å²	32	64.4 Å²	64.4	17%	0.168	38%	0.378	C	S	.	.	H	α-helix	trans	-55.8	-47.3	176.5	-171.6	75.1	0	0	0	112	I181 E182 K196 S202 W203 I204	I181-L200 HydrophobicContact CD1-CD1 3.61Å; I181-L200 HydrophobicContact CD1-CG 4.5Å; I181-L200 HydrophobicContact CG1-CD1 3.64Å; E182-L200 HydrophobicContact CB-CD1 4.42Å; E182-L200 HydrophobicContact CG-CD1 3.6Å; E182-L200 HydrophobicContact CG-CD2 3.86Å; E182-L200 HydrophobicContact CG-CG 4.41Å; K196-L200 WeakPolarHBondContact O-CB 3.4Å; K196-L200 PolarHBondContact O-N 3.11Å; L200-S202 PolarHBondContact O-N 3.29Å; L200-W203 PolarHBondContact O-N 3.32Å; L200-I204 VanDerWaalsContact O-CG1 3.3Å; L200-I204 WeakPolarHBondContact O-CG1 3.23Å; L200-I204 PolarHBondContact O-N 3.44Å
201	S	87.9	Confident	84.1	Confident	79 Å²	79	59.2 Å²	59.2	55%	0.552	35%	0.352	S	S	*	.	H	α-helix	trans	-65	-39.3	179.7	-58.8	0	0	0	0	112.4	E197 T198 V199 I204 A205	E197-S201 WeakPolarHBondContact O-CB 3.4Å; E197-S201 PolarHBondContact O-N 2.95Å; E197-S201 PolarHBondContact O-OG 3.16Å; T198-S201 PolarHBondContact O-N 2.84Å; V199-S201 VanDerWaalsContact C-N 3.34Å; V199-S201 PolarHBondContact O-N 2.99Å; S201-I204 PolarHBondContact O-N 3.17Å; S201-A205 PolarHBondContact O-N 3.27Å
202	S	88.9	Confident	84.6	Confident	55 Å²	55	60.7 Å²	60.7	39%	0.385	35%	0.351	S	S	.	.	H	α-helix	trans	-63.2	-48.5	174.9	179.7	0	0	0	0	111.6	T198 V199 L200 I204 A205 K206	T198-S202 WeakPolarHBondContact O-CB 3.33Å; T198-S202 PolarHBondContact O-N 2.97Å; V199-S202 WeakPolarHBondContact O-CB 3.49Å; V199-S202 PolarHBondContact O-N 2.81Å; L200-S202 PolarHBondContact O-N 3.29Å; S202-I204 VanDerWaalsContact C-N 3.32Å; S202-I204 PolarHBondContact O-N 3.31Å; S202-A205 WeakPolarHBondContact O-CB 3.13Å; S202-A205 PolarHBondContact O-N 2.8Å; S202-A205 VanDerWaalsContact O-N 3.11Å; S202-K206 WeakPolarHBondContact O-CG 3.5Å; S202-K206 PolarHBondContact O-N 3.37Å
203	W	91.2	Very high	85.1	Confident	7 Å²	7	53.4 Å²	53.4	3%	0.027	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-35.8	177.7	-74.8	11.4	0	0	0	112.7	D139 A141 F142 A145 I181 V185 V199 L200 K206 Y207	D139-W203 WeakPolarHBondContact OD1-CZ2 3.37Å; D139-W203 PolarHBondContact OD1-NE1 3.42Å; D139-W203 PolarHBondContact OD2-NE1 2.71Å; A141-W203 HydrophobicContact CB-CH2 3.87Å; A141-W203 HydrophobicContact CB-CZ2 3.79Å; F142-W203 HydrophobicContact CB-CD2 4.24Å; F142-W203 HydrophobicContact CB-CZ2 4.05Å; F142-W203 HydrophobicContact CD2-CB 3.75Å; F142-W203 AromaticContact CD2-CD1 3.75Å; F142-W203 AromaticContact CD2-CD2 3.65Å; F142-W203 HydrophobicContact CD2-CD2 3.65Å; F142-W203 HydrophobicContact CD2-CE3 4.13Å; F142-W203 AromaticContact CD2-CG 3.46Å; F142-W203 HydrophobicContact CD2-CG 3.46Å; F142-W203 VanDerWaalsContact CD2-CG 3.46Å; F142-W203 HydrophobicContact CE2-CB 3.83Å; F142-W203 HydrophobicContact CE2-CG 4.07Å; F142-W203 WeakPolarHBondContact CE2-O 3.37Å; F142-W203 HydrophobicContact CG-CD2 4.41Å; F142-W203 HydrophobicContact CG-CG 4.34Å; A145-W203 HydrophobicContact CB-CZ3 4.14Å; I181-W203 HydrophobicContact CB-CE3 3.76Å; I181-W203 HydrophobicContact CB-CZ3 4.08Å; I181-W203 HydrophobicContact CD1-CB 3.81Å; I181-W203 HydrophobicContact CD1-CE3 4.2Å; I181-W203 HydrophobicContact CG2-CE3 3.71Å; I181-W203 HydrophobicContact CG2-CZ3 4.01Å; V185-W203 HydrophobicContact CG2-CD2 4.4Å; V185-W203 HydrophobicContact CG2-CE3 3.8Å; V185-W203 HydrophobicContact CG2-CH2 4.09Å; V185-W203 HydrophobicContact CG2-CZ3 3.62Å; V199-W203 HydrophobicContact CG1-CD2 4.3Å; V199-W203 HydrophobicContact CG1-CZ2 4.39Å; V199-W203 PolarHBondContact O-N 2.9Å; L200-W203 PolarHBondContact O-N 3.32Å; W203-K206 PolarHBondContact O-N 3.05Å; W203-Y207 PolarHBondContact O-N 2.85Å
204	I	91.6	Very high	84.6	Confident	16 Å²	16	53.2 Å²	53.2	8%	0.082	29%	0.292	C	S	.	.	H	α-helix	trans	-66.8	-39.1	171.7	-70.3	-68.8	0	0	0	111.9	R174 F177 K178 I181 L200 S201 S202 K206 Y207 D208	R174-I204 VanDerWaalsContact CZ-CG2 3.46Å; F177-I204 HydrophobicContact CD1-CD1 4.07Å; K178-I204 HydrophobicContact CB-CD1 3.76Å; K178-I204 HydrophobicContact CG-CD1 4.02Å; I181-I204 HydrophobicContact CD1-CD1 3.98Å; I181-I204 HydrophobicContact CD1-CG1 3.99Å; L200-I204 VanDerWaalsContact O-CG1 3.3Å; L200-I204 WeakPolarHBondContact O-CG1 3.23Å; L200-I204 PolarHBondContact O-N 3.44Å; S201-I204 PolarHBondContact O-N 3.17Å; S202-I204 VanDerWaalsContact C-N 3.32Å; S202-I204 PolarHBondContact O-N 3.31Å; I204-K206 VanDerWaalsContact C-N 3.33Å; I204-K206 PolarHBondContact O-N 3.22Å; I204-Y207 WeakPolarHBondContact O-CB 3.35Å; I204-Y207 PolarHBondContact O-N 3.24Å; I204-D208 WeakPolarHBondContact O-CB 3.41Å; I204-D208 PolarHBondContact O-N 3.32Å
205	A	88.9	Confident	83.2	Confident	57 Å²	57	56.3 Å²	56.3	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-36.5	174.5	0	0	0	0	0	112.4	S201 S202 D208 A209	S201-A205 PolarHBondContact O-N 3.27Å; S202-A205 WeakPolarHBondContact O-CB 3.13Å; S202-A205 PolarHBondContact O-N 2.8Å; S202-A205 VanDerWaalsContact O-N 3.11Å; A205-D208 PolarHBondContact O-N 2.7Å; A205-A209 PolarHBondContact O-N 3.03Å; A205-A209 VanDerWaalsContact O-N 3.11Å
206	K	90.1	Very high	81.4	Confident	38 Å²	38	57.2 Å²	57.2	17%	0.165	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-45.9	171.3	-65.4	-177.9	-167.9	-168.8	0	111.5	I136 V137 D139 F142 S202 W203 I204 D208 A209 I210	I136-K206 HydrophobicContact CG2-CB 4.4Å; I136-K206 HydrophobicContact CG2-CG 4.47Å; V137-K206 VanDerWaalsContact O-CE 3.28Å; V137-K206 WeakPolarHBondContact O-CE 3.28Å; V137-K206 PolarHBondContact O-NZ 3.31Å; D139-K206 IonicContact OD2-NZ 2.83Å; D139-K206 PolarHBondContact OD2-NZ 3.03Å; F142-K206 HydrophobicContact CD1-CD 3.88Å; F142-K206 HydrophobicContact CD2-CD 4.44Å; F142-K206 HydrophobicContact CE1-CB 3.7Å; F142-K206 HydrophobicContact CE1-CD 3.84Å; F142-K206 HydrophobicContact CE1-CG 4.4Å; F142-K206 HydrophobicContact CE2-CB 3.95Å; F142-K206 HydrophobicContact CE2-CD 4.39Å; F142-K206 HydrophobicContact CG-CD 4.19Å; F142-K206 HydrophobicContact CZ-CB 3.34Å; F142-K206 HydrophobicContact CZ-CD 4.11Å; F142-K206 HydrophobicContact CZ-CG 4.35Å; S202-K206 WeakPolarHBondContact O-CG 3.5Å; S202-K206 PolarHBondContact O-N 3.37Å; W203-K206 PolarHBondContact O-N 3.05Å; I204-K206 VanDerWaalsContact C-N 3.33Å; I204-K206 PolarHBondContact O-N 3.22Å; K206-D208 VanDerWaalsContact C-N 3.35Å; K206-D208 PolarHBondContact O-N 2.82Å; K206-A209 WeakPolarHBondContact O-CB 3.31Å; K206-A209 PolarHBondContact O-N 2.97Å; K206-A209 VanDerWaalsContact O-N 3.11Å; K206-I210 WeakPolarHBondContact O-CG1 3.22Å; K206-I210 PolarHBondContact O-N 2.97Å
207	Y	90.5	Very high	79.5	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-55.3	-48.6	172.5	171.1	-80.8	0	0	0	111.7	F126 Y149 R174 F177 W203 I204 A209 I210 Y211	F126-Y207 HydrophobicContact CE1-CD2 4.14Å; F126-Y207 HydrophobicContact CE1-CE2 4.18Å; F126-Y207 HydrophobicContact CE2-CE2 4.48Å; F126-Y207 AromaticContact CZ-CD2 3.61Å; F126-Y207 HydrophobicContact CZ-CD2 3.61Å; F126-Y207 AromaticContact CZ-CE2 3.54Å; F126-Y207 HydrophobicContact CZ-CE2 3.54Å; Y149-Y207 AromaticContact CE1-CE2 3.89Å; Y149-Y207 HydrophobicContact CE1-CE2 3.89Å; R174-Y207 HydrophobicContact CB-CD1 4.45Å; R174-Y207 HydrophobicContact CB-CE1 3.69Å; R174-Y207 HydrophobicContact CG-CD1 4Å; R174-Y207 HydrophobicContact CG-CE1 3.73Å; R174-Y207 PolarHBondContact N-OH 2.85Å; F177-Y207 HydrophobicContact CB-CD2 3.77Å; F177-Y207 HydrophobicContact CB-CE2 3.69Å; F177-Y207 AromaticContact CD1-CD2 3.36Å; F177-Y207 HydrophobicContact CD1-CD2 3.36Å; F177-Y207 HydrophobicContact CD1-CE2 4.2Å; F177-Y207 AromaticContact CD1-CG 3.68Å; F177-Y207 HydrophobicContact CD1-CG 3.68Å; F177-Y207 AromaticContact CD2-CD2 3.94Å; F177-Y207 HydrophobicContact CD2-CD2 3.94Å; F177-Y207 HydrophobicContact CD2-CE2 4.39Å; F177-Y207 AromaticContact CE1-CD2 3.89Å; F177-Y207 HydrophobicContact CE1-CD2 3.89Å; F177-Y207 HydrophobicContact CE1-CG 4.07Å; F177-Y207 HydrophobicContact CE2-CD2 4.4Å; F177-Y207 AromaticContact CG-CD2 3.39Å; F177-Y207 HydrophobicContact CG-CD2 3.39Å; F177-Y207 AromaticContact CG-CE2 3.84Å; F177-Y207 HydrophobicContact CG-CE2 3.84Å; F177-Y207 HydrophobicContact CG-CG 4.17Å; F177-Y207 HydrophobicContact CZ-CD2 4.38Å; W203-Y207 PolarHBondContact O-N 2.85Å; I204-Y207 WeakPolarHBondContact O-CB 3.35Å; I204-Y207 PolarHBondContact O-N 3.24Å; Y207-A209 PolarHBondContact O-N 2.97Å; Y207-I210 PolarHBondContact O-N 3.31Å; Y207-Y211 HydrophobicContact CE1-CD2 4.28Å; Y207-Y211 WeakPolarHBondContact O-CB 3.37Å; Y207-Y211 PolarHBondContact O-N 3.47Å
208	D	89.4	Confident	77.3	Confident	34 Å²	34	59.5 Å²	59.5	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-63.5	-25.1	-179.6	-75.9	-25.6	0	0	0	111.6	R174 I204 A205 K206 R212	R174-D208 WeakPolarHBondContact CD-OD1 3.44Å; R174-D208 IonicContact CZ-OD1 2.64Å; R174-D208 IonicContact CZ-OD2 2.86Å; R174-D208 IonicContact NE-OD1 2.94Å; R174-D208 PolarHBondContact NE-OD1 3.21Å; R174-D208 IonicContact NE-OD2 2.74Å; R174-D208 PolarHBondContact NE-OD2 3.06Å; R174-D208 VanDerWaalsContact NE-OD2 3.15Å; R174-D208 IonicContact NH2-OD1 2.69Å; R174-D208 IonicContact NH2-OD2 3.46Å; R174-D208 PolarHBondContact NH2-OD2 3.05Å; I204-D208 WeakPolarHBondContact O-CB 3.41Å; I204-D208 PolarHBondContact O-N 3.32Å; A205-D208 PolarHBondContact O-N 2.7Å; K206-D208 VanDerWaalsContact C-N 3.35Å; K206-D208 PolarHBondContact O-N 2.82Å; D208-R212 WeakPolarHBondContact O-CG 3.49Å; D208-R212 PolarHBondContact O-N 2.89Å; D208-R212 PolarHBondContact O-NE 3.39Å; D208-R212 PolarHBondContact O-NH1 3.41Å; D208-R212 PolarHBondContact O-NH2 3.33Å
209	A	87.4	Confident	75.1	Confident	32 Å²	32	63 Å²	63	26%	0.264	34%	0.341	S	S	.	.	H	α-helix	trans	-75.7	-49.4	171.5	0	0	0	0	0	112.8	I136 A205 K206 Y207 Y211 R212 G213	I136-A209 HydrophobicContact CD1-CB 4.01Å; A205-A209 PolarHBondContact O-N 3.03Å; A205-A209 VanDerWaalsContact O-N 3.11Å; K206-A209 WeakPolarHBondContact O-CB 3.31Å; K206-A209 PolarHBondContact O-N 2.97Å; K206-A209 VanDerWaalsContact O-N 3.11Å; Y207-A209 PolarHBondContact O-N 2.97Å; A209-Y211 VanDerWaalsContact C-N 3.25Å; A209-Y211 PolarHBondContact O-N 3.07Å; A209-R212 PolarHBondContact O-N 3.42Å; A209-R212 VanDerWaalsContact O-N 3.12Å; A209-G213 PolarHBondContact O-N 3.47Å
210	I	87.9	Confident	72.5	Confident	4 Å²	4	70 Å²	70	2%	0.021	37%	0.372	C	S	.	.	H	α-helix	trans	-57.1	-42.3	175.6	-57.7	164.3	0	0	0	110.2	F126 F129 I136 F142 V146 K206 Y207 R212 G213	F126-I210 HydrophobicContact CD2-CG2 3.47Å; F126-I210 VanDerWaalsContact CD2-CG2 3.47Å; F126-I210 HydrophobicContact CE2-CB 4.05Å; F126-I210 HydrophobicContact CE2-CG2 3.45Å; F126-I210 VanDerWaalsContact CE2-CG2 3.45Å; F126-I210 HydrophobicContact CG-CG2 4.02Å; F126-I210 HydrophobicContact CZ-CB 4.28Å; F126-I210 HydrophobicContact CZ-CG2 3.98Å; F129-I210 HydrophobicContact CB-CD1 4.32Å; F129-I210 HydrophobicContact CB-CG1 4.36Å; F129-I210 HydrophobicContact CB-CG2 4.21Å; F129-I210 HydrophobicContact CD1-CD1 3.92Å; F129-I210 HydrophobicContact CD2-CD1 3.71Å; F129-I210 HydrophobicContact CD2-CG1 3.92Å; F129-I210 HydrophobicContact CE1-CD1 4.21Å; F129-I210 HydrophobicContact CE2-CD1 4.01Å; F129-I210 HydrophobicContact CG-CD1 3.68Å; F129-I210 HydrophobicContact CG-CG1 4.08Å; F129-I210 HydrophobicContact CZ-CD1 4.26Å; I136-I210 HydrophobicContact CD1-CB 4.34Å; I136-I210 HydrophobicContact CD1-CG1 3.57Å; F142-I210 HydrophobicContact CE1-CD1 4.1Å; F142-I210 HydrophobicContact CZ-CD1 4.13Å; V146-I210 HydrophobicContact CG2-CD1 4.48Å; K206-I210 WeakPolarHBondContact O-CG1 3.22Å; K206-I210 PolarHBondContact O-N 2.97Å; Y207-I210 PolarHBondContact O-N 3.31Å; I210-R212 VanDerWaalsContact C-N 3.34Å; I210-R212 PolarHBondContact O-N 3.07Å; I210-G213 PolarHBondContact O-N 3.13Å
211	Y	85.4	Confident	69.9	Low	63 Å²	63	75 Å²	75	25%	0.247	41%	0.406	C	S	.	.	H	α-helix	trans	-59.3	-41.9	177.9	-172.9	-81.3	0	0	0	112.4	L122 R125 A170 Y207 A209	L122-Y211 HydrophobicContact CD1-CD2 3.51Å; L122-Y211 HydrophobicContact CD1-CE2 3.89Å; L122-Y211 HydrophobicContact CD1-CG 4.24Å; L122-Y211 HydrophobicContact CD2-CD2 4.27Å; L122-Y211 HydrophobicContact CD2-CE2 4.03Å; R125-Y211 PolarHBondContact NH1-O 3.2Å; A170-Y211 HydrophobicContact CB-CE1 4.43Å; A170-Y211 HydrophobicContact CB-CE2 4.3Å; A170-Y211 WeakPolarHBondContact CB-OH 3.41Å; Y207-Y211 HydrophobicContact CE1-CD2 4.28Å; Y207-Y211 WeakPolarHBondContact O-CB 3.37Å; Y207-Y211 PolarHBondContact O-N 3.47Å; A209-Y211 VanDerWaalsContact C-N 3.25Å; A209-Y211 PolarHBondContact O-N 3.07Å
212	R	83.1	Confident	67.2	Low	130 Å²	130	77.9 Å²	77.9	49%	0.491	42%	0.416	S	S	.	.	H	α-helix	trans	-74	-36.5	179	-77.5	-175.4	-67.6	-91.3	-3.1	113.6	R125 D208 A209 I210	R125-R212 PolarHBondContact NH1-O 2.89Å; R125-R212 PolarHBondContact NH2-O 3.24Å; D208-R212 WeakPolarHBondContact O-CG 3.49Å; D208-R212 PolarHBondContact O-N 2.89Å; D208-R212 PolarHBondContact O-NE 3.39Å; D208-R212 PolarHBondContact O-NH1 3.41Å; D208-R212 PolarHBondContact O-NH2 3.33Å; A209-R212 PolarHBondContact O-N 3.42Å; A209-R212 VanDerWaalsContact O-N 3.12Å; I210-R212 VanDerWaalsContact C-N 3.34Å; I210-R212 PolarHBondContact O-N 3.07Å
213	G	72.4	Confident	64.6	Low	19 Å²	19	84.6 Å²	84.6	20%	0.196	43%	0.433	C	S	.	.			trans	69.9	170.5	-172.2	0	0	0	0	0	113.1	A209 I210	A209-G213 PolarHBondContact O-N 3.47Å; I210-G213 PolarHBondContact O-N 3.13Å
214	E	56.3	Low	61.9	Low	85 Å²	85	92 Å²	92	40%	0.397	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-75.8	-25.9	-171.4	-58.8	-166.5	177	0	0	113.6	Q135 D216 L217	Q135-E214 PolarHBondContact N-OE1 2.86Å; Q135-E214 PolarHBondContact NE2-OE2 3.22Å; E214-D216 VanDerWaalsContact C-N 3.34Å; E214-D216 PolarHBondContact O-N 3.31Å; E214-L217 HydrophobicContact CB-CD1 4.48Å; E214-L217 WeakPolarHBondContact O-CB 3.34Å; E214-L217 PolarHBondContact O-N 2.72Å
215	E	48.4	Very low	59	Low	155 Å²	155	95.6 Å²	95.6	72%	0.724	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-59.8	-34.1	-175.5	-65	-175.3	112.2	0	0	115.1	R125	R125-E215 IonicContact NH2-OE2 3.43Å
216	D	45.6	Very low	56.3	Low	76 Å²	76	98.6 Å²	98.6	41%	0.406	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-84.2	-6.5	-176.1	-93.1	-28.8	0	0	0	113.8	E214 C218 K219	E214-D216 VanDerWaalsContact C-N 3.34Å; E214-D216 PolarHBondContact O-N 3.31Å; D216-C218 PolarHBondContact O-N 3.23Å; D216-C218 VanDerWaalsContact O-N 3.12Å; D216-K219 PolarHBondContact O-N 3.06Å; D216-K219 WeakPolarHBondContact OD1-CD 3.29Å; D216-K219 IonicContact OD1-NZ 2.67Å; D216-K219 PolarHBondContact OD1-NZ 3.4Å
217	L	41.7	Very low	53.7	Low	146 Å²	146	100.5 Å²	100.5	76%	0.764	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-60.9	-21	174.9	-70.1	170.4	0	0	0	113	E214 K219	E214-L217 HydrophobicContact CB-CD1 4.48Å; E214-L217 WeakPolarHBondContact O-CB 3.34Å; E214-L217 PolarHBondContact O-N 2.72Å; L217-K219 VanDerWaalsContact C-N 3.32Å
218	C	37.7	Very low	51.1	Low	123 Å²	123	102 Å²	102	83%	0.831	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-75.4	-16.2	176.8	-164.9	0	0	0	0	113.5	D216	D216-C218 PolarHBondContact O-N 3.23Å; D216-C218 VanDerWaalsContact O-N 3.12Å
219	K	39.4	Very low	48.6	Very low	145 Å²	145	105 Å²	105	63%	0.63	56%	0.559	S	S	*	*	S	Bend	trans	-103.5	118.9	-176.3	-63	174.4	-160	137.6	0	110.9	D216 L217	D216-K219 PolarHBondContact O-N 3.06Å; D216-K219 WeakPolarHBondContact OD1-CD 3.29Å; D216-K219 IonicContact OD1-NZ 2.67Å; D216-K219 PolarHBondContact OD1-NZ 3.4Å; L217-K219 VanDerWaalsContact C-N 3.32Å
220	Q	30.3	Very low	46.3	Very low	173 Å²	173	107.1 Å²	107.1	81%	0.808	57%	0.572	S	S	*	*			trans	-54.2	150.2	168.7	-74.8	-173.1	-12.3	0	0	111.4	N222	Q220-N222 VanDerWaalsContact C-N 3.31Å; Q220-N222 PolarHBondContact O-N 2.99Å
221	P	34.3	Very low	44.4	Very low	136 Å²	136	111.5 Å²	111.5	88%	0.883	59%	0.592	S	S	*	*			trans	-66.1	86.5	178.1	27.6	-35.4	0	0	0	111.2	R223	P221-R223 PolarHBondContact O-N 3.03Å
222	N	30.2	Very low	43.2	Very low	140 Å²	140	111 Å²	111	75%	0.749	59%	0.593	S	S	*	*			trans	-81.3	83	-163.1	-162.8	4.7	0	0	0	112.4	Q220 M224	Q220-N222 VanDerWaalsContact C-N 3.31Å; Q220-N222 PolarHBondContact O-N 2.99Å; N222-M224 PolarHBondContact O-N 2.78Å
223	R	35.6	Very low	42.5	Very low	195 Å²	195	109.5 Å²	109.5	74%	0.736	59%	0.594	S	S	*	*	S	Bend	trans	56.1	10.2	161.4	-103.3	-176.4	175.3	-174.7	-0.9	119.1	P221 A225 L226	P221-R223 PolarHBondContact O-N 3.03Å; R223-A225 PolarHBondContact O-N 3.02Å; R223-L226 HydrophobicContact CG-CD1 4.43Å; R223-L226 PolarHBondContact O-N 2.69Å
224	M	32.9	Very low	42.8	Very low	164 Å²	164	110.3 Å²	110.3	81%	0.808	59%	0.594	S	S	*	*	H	α-helix	trans	-49.1	-33.8	-177.1	-76.1	-177.9	162.5	0	0	115	N222 L226 S227 A228	N222-M224 PolarHBondContact O-N 2.78Å; M224-L226 PolarHBondContact O-N 3.24Å; M224-L226 VanDerWaalsContact O-N 3.12Å; M224-S227 PolarHBondContact O-N 3.31Å; M224-S227 VanDerWaalsContact O-N 3.1Å; M224-A228 PolarHBondContact O-N 3.4Å
225	A	32.1	Very low	44.2	Very low	91 Å²	91	108.4 Å²	108.4	75%	0.752	59%	0.59	S	S	*	*	H	α-helix	trans	-58	-24.2	178.7	0	0	0	0	0	115	R223	R223-A225 PolarHBondContact O-N 3.02Å
226	L	30.7	Very low	45.9	Very low	120 Å²	120	105.9 Å²	105.9	63%	0.628	58%	0.577	S	S	*	*	H	α-helix	trans	-91.2	-23.2	177.4	-72.9	168.8	0	0	0	113.4	R223 M224	R223-L226 HydrophobicContact CG-CD1 4.43Å; R223-L226 PolarHBondContact O-N 2.69Å; M224-L226 PolarHBondContact O-N 3.24Å; M224-L226 VanDerWaalsContact O-N 3.12Å
227	S	35.6	Very low	47.9	Very low	78 Å²	78	108.9 Å²	108.9	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-73.4	-33.8	178.1	-160.6	0	0	0	0	112	M224 V229 S230	M224-S227 PolarHBondContact O-N 3.31Å; M224-S227 VanDerWaalsContact O-N 3.1Å; S227-V229 PolarHBondContact O-N 3.11Å; S227-S230 WeakPolarHBondContact O-CB 3.48Å; S227-S230 PolarHBondContact O-N 3.07Å
228	A	36.2	Very low	50	Low	33 Å²	33	105.7 Å²	105.7	27%	0.273	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.4	-6.8	-176.7	0	0	0	0	0	115.2	M224	M224-A228 PolarHBondContact O-N 3.4Å
229	V	37.2	Very low	52.4	Low	98 Å²	98	99.9 Å²	99.9	59%	0.594	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-25.7	170.6	-177	0	0	0	0	111.3	S227 E231	S227-V229 PolarHBondContact O-N 3.11Å; V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 PolarHBondContact O-N 3.14Å
230	S	39.3	Very low	54.9	Low	75 Å²	75	93.4 Å²	93.4	52%	0.524	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.2	-176.7	-164.5	0	0	0	0	114.4	S227	S227-S230 WeakPolarHBondContact O-CB 3.48Å; S227-S230 PolarHBondContact O-N 3.07Å
231	E	48.6	Very low	57.7	Low	96 Å²	96	90.2 Å²	90.2	45%	0.449	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-13.5	176.5	-65.8	-174.6	133.8	0	0	113.4	V229 Y663	V229-E231 VanDerWaalsContact C-N 3.32Å; V229-E231 PolarHBondContact O-N 3.14Å; E231-Y663 PolarHBondContact OE1-OH 3.36Å
232	L	59.3	Low	60.4	Low	52 Å²	52	85 Å²	85	27%	0.272	45%	0.451	S	S	.	.	S	Bend	trans	-79.9	-25.7	-174.8	-84.8	158.3	0	0	0	114.1
233	I	69.1	Low	63.3	Low	100 Å²	100	78.3 Å²	78.3	51%	0.513	42%	0.415	S	S	.	.	S	Bend	trans	-135.5	109.1	176.1	-55.7	178.3	0	0	0	108	T105	T105-I233 HydrophobicContact CG2-CD1 4.03Å; T105-I233 HydrophobicContact CG2-CG1 4.34Å
234	L	78.9	Confident	66	Low	36 Å²	36	70.1 Å²	70.1	19%	0.188	39%	0.385	C	S	.	.			trans	-77.9	142.4	178.3	-63	-179.2	0	0	0	111.2	Q103 Q238 L239 M242	Q103-L234 PolarHBondContact NE2-O 2.84Å; L234-Q238 HydrophobicContact CB-CB 4.15Å; L234-Q238 HydrophobicContact CD2-CB 4.35Å; L234-L239 HydrophobicContact CB-CD2 4Å; L234-L239 HydrophobicContact CB-CG 4.04Å; L234-L239 HydrophobicContact CD1-CD2 3.93Å; L234-M242 HydrophobicContact CD1-CE 4.4Å; L234-M242 HydrophobicContact CD1-SD 4.15Å
235	S	84.4	Confident	68.6	Low	45 Å²	45	68.4 Å²	68.4	32%	0.315	38%	0.375	S	S	.	.			trans	-67.4	162	170.2	86.9	0	0	0	0	111.1	E237 Q238 L239	S235-E237 PolarHBondContact O-N 2.93Å; S235-E237 PolarHBondContact OG-N 3.03Å; S235-Q238 PolarHBondContact O-N 3.15Å; S235-Q238 PolarHBondContact OG-N 2.96Å; S235-Q238 VanDerWaalsContact OG-N 3.14Å; S235-L239 WeakPolarHBondContact O-CG 3.2Å; S235-L239 PolarHBondContact O-N 3.44Å
236	K	85	Confident	71.4	Confident	101 Å²	101	64.8 Å²	64.8	44%	0.439	34%	0.343	S	S	.	.	H	α-helix	trans	-58.3	-38.4	174.1	-73.1	-172.1	177.2	-179.2	0	111.8	I95 A96 L239 Y240	I95-K236 HydrophobicContact CG2-CB 4.11Å; I95-K236 HydrophobicContact CG2-CG 4.22Å; I95-K236 WeakPolarHBondContact O-CD 3.46Å; I95-K236 VanDerWaalsContact O-CE 3.23Å; I95-K236 WeakPolarHBondContact O-CE 3.44Å; A96-K236 PolarHBondContact O-NZ 3.33Å; K236-L239 PolarHBondContact O-N 2.89Å; K236-Y240 HydrophobicContact CB-CE2 4.03Å; K236-Y240 WeakPolarHBondContact O-CD2 3.45Å; K236-Y240 PolarHBondContact O-N 2.72Å
237	E	87.2	Confident	74.3	Confident	140 Å²	140	59 Å²	59	65%	0.654	31%	0.313	S	S	*	.	H	α-helix	trans	-61.5	-49.4	177.5	-64.1	161.8	167.7	0	0	111	S235 L239 Y240 E241	S235-E237 PolarHBondContact O-N 2.93Å; S235-E237 PolarHBondContact OG-N 3.03Å; E237-L239 VanDerWaalsContact C-N 3.3Å; E237-L239 PolarHBondContact O-N 3.28Å; E237-Y240 PolarHBondContact O-N 3.03Å; E237-Y240 VanDerWaalsContact O-N 3.12Å; E237-E241 PolarHBondContact O-N 2.89Å
238	Q	86.7	Confident	76.8	Confident	78 Å²	78	57.8 Å²	57.8	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-60.6	-37.5	175.6	-69.9	171.4	-40.7	0	0	112.4	L234 S235 M242	L234-Q238 HydrophobicContact CB-CB 4.15Å; L234-Q238 HydrophobicContact CD2-CB 4.35Å; S235-Q238 PolarHBondContact O-N 3.15Å; S235-Q238 PolarHBondContact OG-N 2.96Å; S235-Q238 VanDerWaalsContact OG-N 3.14Å; Q238-M242 VanDerWaalsContact O-CB 3.24Å; Q238-M242 WeakPolarHBondContact O-CB 3.49Å; Q238-M242 PolarHBondContact O-N 3.22Å
239	L	88.4	Confident	79.4	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-66.4	-40.7	174.1	-68.9	173.8	0	0	0	112.2	I95 L234 S235 K236 E237 M242 F243 F675 V676	I95-L239 HydrophobicContact CD1-CB 4Å; I95-L239 HydrophobicContact CG1-CB 4.17Å; I95-L239 HydrophobicContact CG2-CB 3.9Å; I95-L239 HydrophobicContact CG2-CD1 4.28Å; L234-L239 HydrophobicContact CB-CD2 4Å; L234-L239 HydrophobicContact CB-CG 4.04Å; L234-L239 HydrophobicContact CD1-CD2 3.93Å; S235-L239 WeakPolarHBondContact O-CG 3.2Å; S235-L239 PolarHBondContact O-N 3.44Å; K236-L239 PolarHBondContact O-N 2.89Å; E237-L239 VanDerWaalsContact C-N 3.3Å; E237-L239 PolarHBondContact O-N 3.28Å; L239-M242 HydrophobicContact CD2-CE 3.89Å; L239-F243 PolarHBondContact O-N 2.94Å; L239-F675 HydrophobicContact CD1-CD1 3.9Å; L239-F675 HydrophobicContact CD1-CE1 3.71Å; L239-V676 HydrophobicContact CD2-CG2 4.34Å
240	Y	91.1	Very high	81.8	Confident	8 Å²	8	58.3 Å²	58.3	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-45.1	175.4	-68.2	-57.6	0	0	0	111.7	Y88 V92 I95 A96 K236 E237 Q244 Y258 Q262	Y88-Y240 PolarHBondContact OH-O 2.99Å; Y88-Y240 VanDerWaalsContact OH-O 3.06Å; V92-Y240 HydrophobicContact CB-CE1 4.32Å; V92-Y240 HydrophobicContact CG1-CE1 3.99Å; V92-Y240 HydrophobicContact CG2-CD1 4.2Å; V92-Y240 HydrophobicContact CG2-CE1 4.26Å; I95-Y240 HydrophobicContact CB-CD1 4.11Å; I95-Y240 HydrophobicContact CB-CE1 3.58Å; I95-Y240 HydrophobicContact CD1-CD1 3.88Å; I95-Y240 HydrophobicContact CD1-CE1 4.2Å; I95-Y240 HydrophobicContact CG2-CD1 3.89Å; I95-Y240 HydrophobicContact CG2-CD2 4.24Å; I95-Y240 HydrophobicContact CG2-CE1 3.51Å; I95-Y240 HydrophobicContact CG2-CE2 3.87Å; I95-Y240 HydrophobicContact CG2-CG 4.23Å; I95-Y240 VanDerWaalsContact CG2-CZ 3.5Å; A96-Y240 WeakPolarHBondContact CA-OH 3.34Å; A96-Y240 WeakPolarHBondContact CB-OH 3.25Å; A96-Y240 PolarHBondContact N-OH 3.5Å; K236-Y240 HydrophobicContact CB-CE2 4.03Å; K236-Y240 WeakPolarHBondContact O-CD2 3.45Å; K236-Y240 PolarHBondContact O-N 2.72Å; E237-Y240 PolarHBondContact O-N 3.03Å; E237-Y240 VanDerWaalsContact O-N 3.12Å; Y240-Q244 WeakPolarHBondContact O-CB 3.46Å; Y240-Q244 PolarHBondContact O-N 3.26Å; Y240-Y258 HydrophobicContact CD2-CD2 4.17Å; Y240-Y258 AromaticContact CD2-CE2 3.87Å; Y240-Y258 HydrophobicContact CD2-CE2 3.87Å; Y240-Y258 HydrophobicContact CE1-CD2 4.37Å; Y240-Y258 AromaticContact CE2-CD2 3.99Å; Y240-Y258 HydrophobicContact CE2-CD2 3.99Å; Y240-Y258 AromaticContact CE2-CE2 3.49Å; Y240-Y258 HydrophobicContact CE2-CE2 3.49Å; Y240-Y258 VanDerWaalsContact CE2-CE2 3.49Å; Y240-Y258 HydrophobicContact CG-CD2 4.49Å; Y240-Y258 AromaticContact CZ-CE2 3.9Å; Y240-Q262 PolarHBondContact OH-NE2 3Å
241	E	89.5	Confident	84.1	Confident	106 Å²	106	62.4 Å²	62.4	50%	0.495	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-45.4	177.7	-70.2	-169.6	140.4	0	0	111.7	E237 Q244 Q245	E237-E241 PolarHBondContact O-N 2.89Å; E241-Q244 WeakPolarHBondContact O-CB 3.47Å; E241-Q244 PolarHBondContact O-N 3.09Å; E241-Q245 WeakPolarHBondContact O-CG 3.45Å; E241-Q245 PolarHBondContact O-N 3.33Å
242	M	89.8	Confident	85.7	Confident	26 Å²	26	63 Å²	63	13%	0.128	32%	0.315	C	S	.	.	H	α-helix	trans	-60.2	-49.6	177.3	-176.4	-177.3	69.6	0	0	111.4	L234 Q238 L239 Q244 Q245 I246 Q673	L234-M242 HydrophobicContact CD1-CE 4.4Å; L234-M242 HydrophobicContact CD1-SD 4.15Å; Q238-M242 VanDerWaalsContact O-CB 3.24Å; Q238-M242 WeakPolarHBondContact O-CB 3.49Å; Q238-M242 PolarHBondContact O-N 3.22Å; L239-M242 HydrophobicContact CD2-CE 3.89Å; M242-Q244 VanDerWaalsContact C-N 3.33Å; M242-Q244 PolarHBondContact O-N 2.92Å; M242-Q245 PolarHBondContact O-N 3.15Å; M242-I246 HydrophobicContact CG-CD1 3.88Å; M242-I246 VanDerWaalsContact O-CG1 3.28Å; M242-I246 WeakPolarHBondContact O-CG1 3.45Å; M242-I246 PolarHBondContact O-N 3.33Å; M242-Q673 HydrophobicContact CE-CG 3.63Å; M242-Q673 HydrophobicContact SD-CG 3.87Å
243	F	91.5	Very high	87	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-73.9	-22.7	178.4	-82.9	-78.4	0	0	0	113.9	Y88 V91 I95 L239 I246 L247 L650 T654 V676	Y88-F243 HydrophobicContact CE2-CB 4.11Å; V91-F243 HydrophobicContact CG1-CB 3.66Å; V91-F243 HydrophobicContact CG1-CD1 3.9Å; V91-F243 HydrophobicContact CG1-CD2 4.18Å; V91-F243 HydrophobicContact CG1-CG 3.63Å; I95-F243 HydrophobicContact CD1-CD2 4.21Å; L239-F243 PolarHBondContact O-N 2.94Å; F243-I246 HydrophobicContact CD1-CB 4.39Å; F243-I246 HydrophobicContact CD1-CD1 3.78Å; F243-I246 HydrophobicContact CD1-CG2 4.42Å; F243-I246 HydrophobicContact CE1-CD1 3.82Å; F243-I246 HydrophobicContact CG-CD1 4.18Å; F243-I246 HydrophobicContact CZ-CD1 4.25Å; F243-L247 PolarHBondContact O-N 3.02Å; F243-L650 HydrophobicContact CD1-CD1 4.23Å; F243-L650 HydrophobicContact CE1-CD1 4.07Å; F243-T654 HydrophobicContact CE1-CG2 4.45Å; F243-V676 HydrophobicContact CD2-CB 4.32Å; F243-V676 HydrophobicContact CD2-CG1 4.1Å; F243-V676 HydrophobicContact CD2-CG2 4.17Å; F243-V676 HydrophobicContact CE1-CG1 4.19Å; F243-V676 HydrophobicContact CE2-CB 3.46Å; F243-V676 VanDerWaalsContact CE2-CB 3.46Å; F243-V676 HydrophobicContact CE2-CG1 3.57Å; F243-V676 HydrophobicContact CE2-CG2 3.6Å; F243-V676 HydrophobicContact CZ-CB 3.69Å; F243-V676 HydrophobicContact CZ-CG1 3.62Å; F243-V676 HydrophobicContact CZ-CG2 4.35Å
244	Q	91.6	Very high	87.8	Confident	23 Å²	23	58.3 Å²	58.3	11%	0.107	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-42.6	168.6	-168.3	-159.5	-29.4	0	0	110.5	Y88 Y240 E241 M242 G248 I249 H254	Y88-Q244 HydrophobicContact CE2-CB 4.35Å; Y240-Q244 WeakPolarHBondContact O-CB 3.46Å; Y240-Q244 PolarHBondContact O-N 3.26Å; E241-Q244 WeakPolarHBondContact O-CB 3.47Å; E241-Q244 PolarHBondContact O-N 3.09Å; M242-Q244 VanDerWaalsContact C-N 3.33Å; M242-Q244 PolarHBondContact O-N 2.92Å; Q244-G248 PolarHBondContact O-N 2.9Å; Q244-G248 VanDerWaalsContact O-N 3.09Å; Q244-I249 HydrophobicContact CG-CB 3.9Å; Q244-I249 HydrophobicContact CG-CG2 4.45Å; Q244-I249 VanDerWaalsContact CG-O 3.25Å; Q244-I249 WeakPolarHBondContact CG-O 3.07Å; Q244-I249 PolarHBondContact NE2-O 3.36Å; Q244-I249 PolarHBondContact O-N 2.89Å; Q244-H254 HydrophobicContact CG-CB 4.16Å
245	Q	89.6	Confident	88	Confident	128 Å²	128	62 Å²	62	60%	0.598	31%	0.306	S	S	*	.	H	α-helix	trans	-68	-48.7	176.8	-69.1	171.7	40.5	0	0	111.5	E241 M242 L247 G248	E241-Q245 WeakPolarHBondContact O-CG 3.45Å; E241-Q245 PolarHBondContact O-N 3.33Å; M242-Q245 PolarHBondContact O-N 3.15Å; Q245-L247 VanDerWaalsContact C-N 3.33Å; Q245-L247 PolarHBondContact O-N 3.01Å; Q245-G248 PolarHBondContact O-N 3.48Å; Q245-G248 VanDerWaalsContact O-N 3.09Å
246	I	90.3	Very high	87.9	Confident	15 Å²	15	61.2 Å²	61.2	8%	0.077	30%	0.298	C	S	.	.	H	α-helix	trans	-52.5	-46.4	177.7	-70.8	163.7	0	0	0	112.2	M242 F243 Q653 T654 H657	M242-I246 HydrophobicContact CG-CD1 3.88Å; M242-I246 VanDerWaalsContact O-CG1 3.28Å; M242-I246 WeakPolarHBondContact O-CG1 3.45Å; M242-I246 PolarHBondContact O-N 3.33Å; F243-I246 HydrophobicContact CD1-CB 4.39Å; F243-I246 HydrophobicContact CD1-CD1 3.78Å; F243-I246 HydrophobicContact CD1-CG2 4.42Å; F243-I246 HydrophobicContact CE1-CD1 3.82Å; F243-I246 HydrophobicContact CG-CD1 4.18Å; F243-I246 HydrophobicContact CZ-CD1 4.25Å; I246-Q653 HydrophobicContact CG2-CB 4.01Å; I246-T654 HydrophobicContact CD1-CG2 4.22Å; I246-H657 HydrophobicContact CG1-CB 3.77Å; I246-H657 VanDerWaalsContact CG1-CD2 3.47Å; I246-H657 WeakPolarHBondContact CG1-CD2 3.48Å
247	L	91	Very high	87.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.7	-178.6	-60.4	-172.6	0	0	0	114	R84 L87 Y88 F243 Q245 I249 L650 Q653	R84-L247 WeakPolarHBondContact CD-O 3.46Å; L87-L247 HydrophobicContact CB-CD1 3.92Å; Y88-L247 HydrophobicContact CD2-CD1 4.01Å; Y88-L247 HydrophobicContact CG-CD1 4.46Å; F243-L247 PolarHBondContact O-N 3.02Å; Q245-L247 VanDerWaalsContact C-N 3.33Å; Q245-L247 PolarHBondContact O-N 3.01Å; L247-I249 VanDerWaalsContact C-N 3.34Å; L247-I249 HydrophobicContact CB-CD1 4.12Å; L247-I249 HydrophobicContact CB-CG1 3.83Å; L247-I249 PolarHBondContact O-N 3.28Å; L247-L650 HydrophobicContact CD1-CD1 4.39Å; L247-L650 HydrophobicContact CD2-CD1 3.99Å; L247-L650 HydrophobicContact CG-CD1 4.5Å; L247-Q653 HydrophobicContact CD2-CB 4.45Å
248	G	88.8	Confident	87.7	Confident	52 Å²	52	53.3 Å²	53.3	54%	0.536	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	29.2	178.3	0	0	0	0	0	115.3	Q244 Q245	Q244-G248 PolarHBondContact O-N 2.9Å; Q244-G248 VanDerWaalsContact O-N 3.09Å; Q245-G248 PolarHBondContact O-N 3.48Å; Q245-G248 VanDerWaalsContact O-N 3.09Å
249	I	90.4	Very high	87.5	Confident	11 Å²	11	54.1 Å²	54.1	6%	0.056	27%	0.267	C	S	.	.			trans	-79.4	138.7	-173.6	-54.2	-58.1	0	0	0	110.8	R84 L85 Y88 Q244 L247 E253 H254	R84-I249 HydrophobicContact CB-CD1 4.3Å; L85-I249 HydrophobicContact CD2-CD1 4.15Å; L85-I249 HydrophobicContact CG-CD1 4.45Å; Y88-I249 HydrophobicContact CD1-CG1 4.15Å; Y88-I249 HydrophobicContact CD1-CG2 4.08Å; Y88-I249 HydrophobicContact CD2-CG1 4.17Å; Y88-I249 HydrophobicContact CE1-CG2 4.29Å; Y88-I249 HydrophobicContact CG-CG1 3.85Å; Q244-I249 HydrophobicContact CG-CB 3.9Å; Q244-I249 HydrophobicContact CG-CG2 4.45Å; Q244-I249 VanDerWaalsContact CG-O 3.25Å; Q244-I249 WeakPolarHBondContact CG-O 3.07Å; Q244-I249 PolarHBondContact NE2-O 3.36Å; Q244-I249 PolarHBondContact O-N 2.89Å; L247-I249 VanDerWaalsContact C-N 3.34Å; L247-I249 HydrophobicContact CB-CD1 4.12Å; L247-I249 HydrophobicContact CB-CG1 3.83Å; L247-I249 PolarHBondContact O-N 3.28Å; I249-E253 HydrophobicContact CG2-CB 3.78Å; I249-H254 HydrophobicContact CG2-CB 4.41Å
250	K	88.3	Confident	87.1	Confident	131 Å²	131	55.9 Å²	55.9	57%	0.57	28%	0.282	S	S	*	.			trans	-76.5	148.1	-179.5	-57.1	174.3	-171	173.2	0	110.7	L252 E253 H254	K250-L252 PolarHBondContact O-N 2.84Å; K250-L252 VanDerWaalsContact O-N 3.12Å; K250-E253 HydrophobicContact CB-CB 4.45Å; K250-E253 HydrophobicContact CB-CG 4.01Å; K250-E253 VanDerWaalsContact CB-OE2 3.3Å; K250-E253 WeakPolarHBondContact CB-OE2 3.45Å; K250-E253 WeakPolarHBondContact CG-OE2 3.41Å; K250-E253 PolarHBondContact N-OE2 3.37Å; K250-E253 WeakPolarHBondContact O-CA 3.48Å; K250-E253 WeakPolarHBondContact O-CB 3.37Å; K250-E253 PolarHBondContact O-N 2.89Å; K250-H254 PolarHBondContact O-N 3.09Å
251	K	85.8	Confident	86.6	Confident	160 Å²	160	55.8 Å²	55.8	70%	0.696	28%	0.282	S	S	*	.	H	α-helix	trans	-54.5	-36.4	-177.5	-69.8	-168.5	175	-164	0	113.6	Q255	K251-Q255 WeakPolarHBondContact O-CB 3.28Å; K251-Q255 PolarHBondContact O-N 3.39Å
252	L	83.8	Confident	85.9	Confident	109 Å²	109	53 Å²	53	57%	0.571	27%	0.269	S	S	*	.	H	α-helix	trans	-68.3	-39.8	175	-177.3	65.7	0	0	0	112.8	K250 Q255 L256	K250-L252 PolarHBondContact O-N 2.84Å; K250-L252 VanDerWaalsContact O-N 3.12Å; L252-Q255 PolarHBondContact O-N 3.45Å; L252-L256 WeakPolarHBondContact O-CG 3.48Å; L252-L256 PolarHBondContact O-N 3.49Å; L252-L256 VanDerWaalsContact O-N 3.1Å
253	E	85.1	Confident	85.3	Confident	17 Å²	17	54.2 Å²	54.2	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-44.2	178	-60.3	166.9	160.1	0	0	109.8	R81 L85 I249 K250 Q255 L256 L257 M630	R81-E253 IonicContact CZ-OE1 3.95Å; R81-E253 IonicContact NE-OE1 2.79Å; R81-E253 PolarHBondContact NE-OE1 3.17Å; R81-E253 IonicContact NH2-OE1 2.82Å; R81-E253 PolarHBondContact NH2-OE1 3.39Å; L85-E253 HydrophobicContact CD2-CB 4.16Å; I249-E253 HydrophobicContact CG2-CB 3.78Å; K250-E253 HydrophobicContact CB-CB 4.45Å; K250-E253 HydrophobicContact CB-CG 4.01Å; K250-E253 VanDerWaalsContact CB-OE2 3.3Å; K250-E253 WeakPolarHBondContact CB-OE2 3.45Å; K250-E253 WeakPolarHBondContact CG-OE2 3.41Å; K250-E253 PolarHBondContact N-OE2 3.37Å; K250-E253 WeakPolarHBondContact O-CA 3.48Å; K250-E253 WeakPolarHBondContact O-CB 3.37Å; K250-E253 PolarHBondContact O-N 2.89Å; E253-Q255 PolarHBondContact O-N 2.92Å; E253-L256 PolarHBondContact O-N 2.7Å; E253-L257 WeakPolarHBondContact O-CB 3.14Å; E253-L257 WeakPolarHBondContact O-CG 3.25Å; E253-L257 PolarHBondContact O-N 3.08Å; E253-L257 VanDerWaalsContact O-N 3.08Å; E253-M630 HydrophobicContact CB-CE 4.23Å; E253-M630 HydrophobicContact CG-CE 3.9Å
254	H	87	Confident	84	Confident	36 Å²	36	62.2 Å²	62.2	17%	0.167	32%	0.319	C	S	.	.	H	α-helix	trans	-54.9	-50.8	169.7	162.1	78.5	0	0	0	111.6	Y88 Q244 I249 K250 L256 L257 Y258	Y88-H254 HydrophobicContact CE1-CB 4.1Å; Y88-H254 AromaticContact CE1-ND1 3.7Å; Y88-H254 AromaticContact CZ-ND1 3.7Å; Y88-H254 PolarHBondContact OH-ND1 2.93Å; Q244-H254 HydrophobicContact CG-CB 4.16Å; I249-H254 HydrophobicContact CG2-CB 4.41Å; K250-H254 PolarHBondContact O-N 3.09Å; H254-L256 VanDerWaalsContact C-N 3.33Å; H254-L256 PolarHBondContact O-N 2.89Å; H254-L257 PolarHBondContact O-N 2.96Å; H254-Y258 AromaticContact CE1-CD2 3.88Å; H254-Y258 WeakPolarHBondContact O-CB 3.32Å; H254-Y258 PolarHBondContact O-N 3.31Å
255	Q	83.6	Confident	83.1	Confident	114 Å²	114	63.3 Å²	63.3	53%	0.533	33%	0.325	S	S	.	.	H	α-helix	trans	-63.2	-37.5	-175.1	-168.1	174.4	23.2	0	0	112.8	K251 L252 E253 N259	K251-Q255 WeakPolarHBondContact O-CB 3.28Å; K251-Q255 PolarHBondContact O-N 3.39Å; L252-Q255 PolarHBondContact O-N 3.45Å; E253-Q255 PolarHBondContact O-N 2.92Å; Q255-N259 WeakPolarHBondContact O-CB 3.35Å; Q255-N259 PolarHBondContact O-N 2.98Å; Q255-N259 VanDerWaalsContact O-N 3.13Å; Q255-N259 PolarHBondContact O-ND2 3.42Å
256	L	82.5	Confident	82.1	Confident	29 Å²	29	59.6 Å²	59.6	15%	0.152	32%	0.317	C	S	.	.	H	α-helix	trans	-65.5	-48.1	173.9	-70.4	170.9	0	0	0	111.8	L252 E253 H254 A260 F625 H628 M630	L252-L256 WeakPolarHBondContact O-CG 3.48Å; L252-L256 PolarHBondContact O-N 3.49Å; L252-L256 VanDerWaalsContact O-N 3.1Å; E253-L256 PolarHBondContact O-N 2.7Å; H254-L256 VanDerWaalsContact C-N 3.33Å; H254-L256 PolarHBondContact O-N 2.89Å; L256-A260 WeakPolarHBondContact O-CB 3.3Å; L256-A260 PolarHBondContact O-N 3.03Å; L256-A260 VanDerWaalsContact O-N 3.15Å; L256-F625 HydrophobicContact CD2-CE1 4.02Å; L256-F625 HydrophobicContact CD2-CZ 4.07Å; L256-H628 HydrophobicContact CD1-CB 4.28Å; L256-M630 HydrophobicContact CD1-CG 4.36Å
257	L	84.3	Confident	81	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-70.2	-36.7	-178.4	-66	178.9	0	0	0	112.6	L85 Y88 V89 E253 H254 A260 C261 M630 I634	L85-L257 HydrophobicContact CD2-CD1 4.19Å; Y88-L257 HydrophobicContact CD1-CD1 4.09Å; V89-L257 HydrophobicContact CG2-CD1 4.1Å; V89-L257 HydrophobicContact CG2-CD2 3.91Å; E253-L257 WeakPolarHBondContact O-CB 3.14Å; E253-L257 WeakPolarHBondContact O-CG 3.25Å; E253-L257 PolarHBondContact O-N 3.08Å; E253-L257 VanDerWaalsContact O-N 3.08Å; H254-L257 PolarHBondContact O-N 2.96Å; L257-A260 PolarHBondContact O-N 3.28Å; L257-C261 VanDerWaalsContact O-CB 3.25Å; L257-C261 WeakPolarHBondContact O-CB 3.29Å; L257-C261 PolarHBondContact O-N 3.15Å; L257-C261 PolarHBondContact O-SG 2.71Å; L257-M630 HydrophobicContact CD2-CB 4.27Å; L257-M630 HydrophobicContact CD2-SD 4.26Å; L257-I634 HydrophobicContact CD2-CD1 3.97Å; L257-I634 HydrophobicContact CD2-CG1 3.78Å
258	Y	83.5	Confident	80.2	Confident	75 Å²	75	62.3 Å²	62.3	29%	0.294	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-55.7	172.9	177.2	-86.7	0	0	0	110.6	Y240 H254 A260 C261 Q262	Y240-Y258 HydrophobicContact CD2-CD2 4.17Å; Y240-Y258 AromaticContact CD2-CE2 3.87Å; Y240-Y258 HydrophobicContact CD2-CE2 3.87Å; Y240-Y258 HydrophobicContact CE1-CD2 4.37Å; Y240-Y258 AromaticContact CE2-CD2 3.99Å; Y240-Y258 HydrophobicContact CE2-CD2 3.99Å; Y240-Y258 AromaticContact CE2-CE2 3.49Å; Y240-Y258 HydrophobicContact CE2-CE2 3.49Å; Y240-Y258 VanDerWaalsContact CE2-CE2 3.49Å; Y240-Y258 HydrophobicContact CG-CD2 4.49Å; Y240-Y258 AromaticContact CZ-CE2 3.9Å; H254-Y258 AromaticContact CE1-CD2 3.88Å; H254-Y258 WeakPolarHBondContact O-CB 3.32Å; H254-Y258 PolarHBondContact O-N 3.31Å; Y258-A260 PolarHBondContact O-N 3.44Å; Y258-C261 PolarHBondContact O-N 3Å; Y258-Q262 HydrophobicContact CD1-CG 4.05Å; Y258-Q262 HydrophobicContact CD2-CG 4.43Å; Y258-Q262 VanDerWaalsContact CD2-NE2 3.3Å; Y258-Q262 HydrophobicContact CE1-CG 3.71Å; Y258-Q262 HydrophobicContact CE2-CG 4.14Å; Y258-Q262 HydrophobicContact CG-CG 4.39Å; Y258-Q262 WeakPolarHBondContact O-CG 3.44Å; Y258-Q262 PolarHBondContact O-N 3.39Å
259	N	82.4	Confident	79.7	Confident	95 Å²	95	62.3 Å²	62.3	51%	0.508	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-31.4	-179.6	-73.3	-8.6	0	0	0	112.7	Q255	Q255-N259 WeakPolarHBondContact O-CB 3.35Å; Q255-N259 PolarHBondContact O-N 2.98Å; Q255-N259 VanDerWaalsContact O-N 3.13Å; Q255-N259 PolarHBondContact O-ND2 3.42Å
260	A	78.4	Confident	79.1	Confident	39 Å²	39	61.9 Å²	61.9	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-83.8	-16.3	177.8	0	0	0	0	0	114.5	L256 L257 Y258 F625 I634	L256-A260 WeakPolarHBondContact O-CB 3.3Å; L256-A260 PolarHBondContact O-N 3.03Å; L256-A260 VanDerWaalsContact O-N 3.15Å; L257-A260 PolarHBondContact O-N 3.28Å; Y258-A260 PolarHBondContact O-N 3.44Å; A260-F625 HydrophobicContact CB-CE1 4.42Å; A260-I634 HydrophobicContact CB-CD1 3.56Å; A260-I634 HydrophobicContact CB-CG1 4.27Å; A260-I634 HydrophobicContact CB-CG2 4.45Å
261	C	80.8	Confident	78.5	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.034	29%	0.291	C	S	.	.	H	α-helix	trans	-110.1	-13.2	-177	-65.6	0	0	0	0	114.4	V92 L257 Y258	V92-C261 HydrophobicContact CG1-CB 3.61Å; L257-C261 VanDerWaalsContact O-CB 3.25Å; L257-C261 WeakPolarHBondContact O-CB 3.29Å; L257-C261 PolarHBondContact O-N 3.15Å; L257-C261 PolarHBondContact O-SG 2.71Å; Y258-C261 PolarHBondContact O-N 3Å
262	Q	76.5	Confident	78.2	Confident	47 Å²	47	50.2 Å²	50.2	22%	0.22	27%	0.266	C	S	.	.			trans	-68.5	139.6	166.2	-62	-40.3	-47	0	0	110.5	Y240 Y258	Y240-Q262 PolarHBondContact OH-NE2 3Å; Y258-Q262 HydrophobicContact CD1-CG 4.05Å; Y258-Q262 HydrophobicContact CD2-CG 4.43Å; Y258-Q262 VanDerWaalsContact CD2-NE2 3.3Å; Y258-Q262 HydrophobicContact CE1-CG 3.71Å; Y258-Q262 HydrophobicContact CE2-CG 4.14Å; Y258-Q262 HydrophobicContact CG-CG 4.39Å; Y258-Q262 WeakPolarHBondContact O-CG 3.44Å; Y258-Q262 PolarHBondContact O-N 3.39Å
263	L	76	Confident	78.2	Confident	52 Å²	52	45.2 Å²	45.2	27%	0.272	24%	0.239	S	C	.	.			trans	-130.7	109.4	172.9	-66.6	173	0	0	0	106.7	Y97 N265 E268 Q269 Q272	Y97-L263 HydrophobicContact CE1-CD1 4.32Å; L263-N265 PolarHBondContact O-N 2.88Å; L263-E268 HydrophobicContact CB-CB 4.5Å; L263-Q269 HydrophobicContact CB-CG 3.87Å; L263-Q269 PolarHBondContact O-NE2 3.3Å; L263-Q272 HydrophobicContact CD1-CB 3.91Å; L263-Q272 HydrophobicContact CD1-CG 4.35Å
264	D	64.8	Low	77.9	Confident	168 Å²	168	45.5 Å²	45.5	90%	0.898	24%	0.24	S	C	*	.	S	Bend	trans	-68.3	-22.6	-171.2	-60.1	-45.4	0	0	0	113.5
265	N	72.4	Confident	77.6	Confident	46 Å²	46	46.9 Å²	46.9	25%	0.246	24%	0.243	C	C	.	.			trans	-98.3	125.9	179.6	-175.7	7.1	0	0	0	112.2	L263 D267 E268 Q269	L263-N265 PolarHBondContact O-N 2.88Å; N265-D267 VanDerWaalsContact C-N 3.26Å; N265-D267 PolarHBondContact ND2-OD2 3.36Å; N265-D267 PolarHBondContact O-N 3.49Å; N265-D267 PolarHBondContact OD1-N 3.5Å; N265-D267 PolarHBondContact OD1-OD2 3.22Å; N265-E268 HydrophobicContact CB-CB 4.27Å; N265-E268 HydrophobicContact CB-CG 4.07Å; N265-E268 WeakPolarHBondContact O-CA 3.46Å; N265-E268 WeakPolarHBondContact O-CB 3.36Å; N265-E268 PolarHBondContact O-N 2.99Å; N265-Q269 PolarHBondContact O-N 3.27Å
266	A	68.3	Low	77.7	Confident	51 Å²	51	41.9 Å²	41.9	42%	0.421	22%	0.22	S	C	.	.	H	α-helix	trans	-56.9	-33.8	173.4	0	0	0	0	0	113.5	E268 Q269 A270	A266-E268 PolarHBondContact O-N 2.79Å; A266-Q269 PolarHBondContact O-N 3.08Å; A266-A270 WeakPolarHBondContact O-CB 3.28Å; A266-A270 PolarHBondContact O-N 3.28Å
267	D	68.4	Low	77.8	Confident	17 Å²	17	40.6 Å²	40.6	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-32.6	174.9	-56	-49.3	0	0	0	111.6	N265 A271 K489 Q514	N265-D267 VanDerWaalsContact C-N 3.26Å; N265-D267 PolarHBondContact ND2-OD2 3.36Å; N265-D267 PolarHBondContact O-N 3.49Å; N265-D267 PolarHBondContact OD1-N 3.5Å; N265-D267 PolarHBondContact OD1-OD2 3.22Å; D267-A271 VanDerWaalsContact O-CB 3.28Å; D267-A271 WeakPolarHBondContact O-CB 3.45Å; D267-A271 PolarHBondContact O-N 3.34Å; D267-K489 WeakPolarHBondContact OD1-CE 3.44Å; D267-K489 IonicContact OD1-NZ 3.95Å; D267-K489 PolarHBondContact OD1-NZ 3.34Å; D267-K489 WeakPolarHBondContact OD2-CE 3.22Å; D267-K489 IonicContact OD2-NZ 3.74Å; D267-K489 PolarHBondContact OD2-NZ 3.31Å; D267-Q514 PolarHBondContact OD1-NE2 2.69Å
268	E	73.1	Confident	77.8	Confident	54 Å²	54	43.4 Å²	43.4	25%	0.252	23%	0.228	S	C	.	.	H	α-helix	trans	-80.8	-36.7	179.8	-66.2	-174.8	128.3	0	0	111.9	L263 N265 A266 A271 Q272 R587	L263-E268 HydrophobicContact CB-CB 4.5Å; N265-E268 HydrophobicContact CB-CB 4.27Å; N265-E268 HydrophobicContact CB-CG 4.07Å; N265-E268 WeakPolarHBondContact O-CA 3.46Å; N265-E268 WeakPolarHBondContact O-CB 3.36Å; N265-E268 PolarHBondContact O-N 2.99Å; A266-E268 PolarHBondContact O-N 2.79Å; E268-A271 PolarHBondContact O-N 2.95Å; E268-Q272 WeakPolarHBondContact O-CB 3.49Å; E268-Q272 PolarHBondContact O-N 2.88Å; E268-R587 VanDerWaalsContact CD-NE 3.28Å; E268-R587 VanDerWaalsContact CD-NH2 3.33Å; E268-R587 HydrophobicContact CG-CG 4.11Å; E268-R587 IonicContact OE1-CZ 3.19Å; E268-R587 IonicContact OE1-NE 3.75Å; E268-R587 PolarHBondContact OE1-NE 3.17Å; E268-R587 IonicContact OE1-NH2 2.77Å; E268-R587 PolarHBondContact OE1-NH2 2.9Å; E268-R587 IonicContact OE2-NH2 2.77Å
269	Q	78.3	Confident	77.8	Confident	52 Å²	52	40.6 Å²	40.6	24%	0.243	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-49.6	168.1	-64.4	172.1	11.7	0	0	110.6	Y97 L263 N265 A266 Q272 I273	Y97-Q269 HydrophobicContact CD1-CB 4.49Å; Y97-Q269 HydrophobicContact CD1-CG 4.05Å; Y97-Q269 HydrophobicContact CD2-CB 4.1Å; Y97-Q269 HydrophobicContact CG-CB 3.92Å; Y97-Q269 HydrophobicContact CG-CG 3.88Å; L263-Q269 HydrophobicContact CB-CG 3.87Å; L263-Q269 PolarHBondContact O-NE2 3.3Å; N265-Q269 PolarHBondContact O-N 3.27Å; A266-Q269 PolarHBondContact O-N 3.08Å; Q269-Q272 PolarHBondContact O-N 3.4Å; Q269-I273 WeakPolarHBondContact O-CG1 3.19Å; Q269-I273 PolarHBondContact O-N 2.92Å
270	A	77	Confident	78	Confident	3 Å²	3	37.5 Å²	37.5	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-37.2	177.8	0	0	0	0	0	112.7	A266 Q272 R274 L320	A266-A270 WeakPolarHBondContact O-CB 3.28Å; A266-A270 PolarHBondContact O-N 3.28Å; A270-Q272 VanDerWaalsContact C-N 3.34Å; A270-R274 WeakPolarHBondContact O-CB 3.4Å; A270-R274 VanDerWaalsContact O-CG 3.29Å; A270-R274 WeakPolarHBondContact O-CG 3.38Å; A270-R274 PolarHBondContact O-N 2.95Å; A270-R274 PolarHBondContact O-NE 2.87Å; A270-L320 HydrophobicContact CB-CD1 4.44Å
271	A	76.4	Confident	78.3	Confident	10 Å²	10	38.3 Å²	38.3	8%	0.083	20%	0.202	C	C	.	.	H	α-helix	trans	-64.8	-36.1	171.5	0	0	0	0	0	112.4	D267 E268 R275	D267-A271 VanDerWaalsContact O-CB 3.28Å; D267-A271 WeakPolarHBondContact O-CB 3.45Å; D267-A271 PolarHBondContact O-N 3.34Å; E268-A271 PolarHBondContact O-N 2.95Å; A271-R275 WeakPolarHBondContact O-CG 3.32Å; A271-R275 PolarHBondContact O-N 3.36Å
272	Q	79.5	Confident	78.5	Confident	36 Å²	36	43.2 Å²	43.2	17%	0.168	22%	0.224	C	C	.	.	H	α-helix	trans	-67.6	-45.5	176.6	-177.8	56.6	25.6	0	0	112	Y97 L263 E268 Q269 A270 R275 E276	Y97-Q272 HydrophobicContact CE2-CB 4.4Å; Y97-Q272 HydrophobicContact CE2-CG 4.26Å; Y97-Q272 WeakPolarHBondContact OH-CG 3.29Å; L263-Q272 HydrophobicContact CD1-CB 3.91Å; L263-Q272 HydrophobicContact CD1-CG 4.35Å; E268-Q272 WeakPolarHBondContact O-CB 3.49Å; E268-Q272 PolarHBondContact O-N 2.88Å; Q269-Q272 PolarHBondContact O-N 3.4Å; A270-Q272 VanDerWaalsContact C-N 3.34Å; Q272-R275 PolarHBondContact O-N 2.94Å; Q272-E276 PolarHBondContact NE2-OE1 3.26Å; Q272-E276 PolarHBondContact O-N 3.37Å
273	I	83.6	Confident	78.9	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-46.2	176.5	-59.1	159.2	0	0	0	110.8	Y97 F99 Q269 R275 E276 L277 L320	Y97-I273 HydrophobicContact CD2-CD1 3.85Å; Y97-I273 HydrophobicContact CD2-CG1 3.79Å; Y97-I273 HydrophobicContact CE2-CD1 4.4Å; Y97-I273 HydrophobicContact CE2-CG1 3.82Å; F99-I273 HydrophobicContact CB-CD1 4.09Å; F99-I273 HydrophobicContact CD1-CD1 3.47Å; F99-I273 VanDerWaalsContact CD1-CD1 3.47Å; F99-I273 HydrophobicContact CD1-CG1 4.08Å; F99-I273 HydrophobicContact CD1-CG2 4.05Å; F99-I273 HydrophobicContact CE1-CD1 4.09Å; F99-I273 HydrophobicContact CE1-CG1 4.21Å; F99-I273 HydrophobicContact CE1-CG2 3.6Å; F99-I273 HydrophobicContact CE2-CG2 4.19Å; F99-I273 HydrophobicContact CG-CD1 3.9Å; F99-I273 HydrophobicContact CZ-CG2 3.67Å; Q269-I273 WeakPolarHBondContact O-CG1 3.19Å; Q269-I273 PolarHBondContact O-N 2.92Å; I273-R275 PolarHBondContact O-N 2.83Å; I273-R275 VanDerWaalsContact O-N 3.16Å; I273-E276 PolarHBondContact O-N 3.23Å; I273-L277 HydrophobicContact CG2-CD1 3.77Å; I273-L277 HydrophobicContact CG2-CG 4Å; I273-L277 PolarHBondContact O-N 2.98Å; I273-L320 HydrophobicContact CB-CD2 3.65Å; I273-L320 HydrophobicContact CD1-CD1 3.81Å; I273-L320 HydrophobicContact CD1-CD2 3.85Å; I273-L320 HydrophobicContact CD1-CG 4.49Å; I273-L320 HydrophobicContact CG1-CD2 4.39Å; I273-L320 HydrophobicContact CG2-CD2 3.65Å
274	R	79.5	Confident	79.3	Confident	23 Å²	23	42 Å²	42	9%	0.087	22%	0.219	C	C	.	.	H	α-helix	trans	-51.1	-40.7	178	-81.1	-176.6	-69.8	159.8	-0.2	112.2	A270 L277 D278 M317 Y518 R587 A588	A270-R274 WeakPolarHBondContact O-CB 3.4Å; A270-R274 VanDerWaalsContact O-CG 3.29Å; A270-R274 WeakPolarHBondContact O-CG 3.38Å; A270-R274 PolarHBondContact O-N 2.95Å; A270-R274 PolarHBondContact O-NE 2.87Å; R274-L277 PolarHBondContact O-N 2.84Å; R274-D278 VanDerWaalsContact O-CB 3.3Å; R274-D278 WeakPolarHBondContact O-CB 3.39Å; R274-D278 PolarHBondContact O-N 2.9Å; R274-M317 HydrophobicContact CG-CE 4.3Å; R274-M317 HydrophobicContact CG-SD 4.2Å; R274-Y518 HydrophobicContact CG-CE1 4.06Å; R274-R587 PolarHBondContact NH2-O 3.25Å; R274-A588 PolarHBondContact NH1-O 2.69Å
275	R	79.9	Confident	80.3	Confident	64 Å²	64	36.1 Å²	36.1	24%	0.242	19%	0.188	C	C	.	.	H	α-helix	trans	-72.7	-34.4	177.6	-66.1	-174.5	-59.1	179.6	-5.6	114.4	A271 Q272 I273 L277 G279 Y586 G590 Q591 S592	A271-R275 WeakPolarHBondContact O-CG 3.32Å; A271-R275 PolarHBondContact O-N 3.36Å; Q272-R275 PolarHBondContact O-N 2.94Å; I273-R275 PolarHBondContact O-N 2.83Å; I273-R275 VanDerWaalsContact O-N 3.16Å; R275-L277 VanDerWaalsContact C-N 3.34Å; R275-G279 PolarHBondContact O-N 2.89Å; R275-Y586 PolarHBondContact NH1-OH 3.48Å; R275-G590 VanDerWaalsContact CG-O 3.25Å; R275-G590 WeakPolarHBondContact CG-O 3.37Å; R275-Q591 VanDerWaalsContact CD-O 3.23Å; R275-Q591 WeakPolarHBondContact CD-O 3.22Å; R275-S592 WeakPolarHBondContact CD-O 2.81Å; R275-S592 PolarHBondContact NH1-O 2.92Å
276	E	85.3	Confident	80.9	Confident	10 Å²	10	39.1 Å²	39.1	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-70.9	-32.7	174.6	-68.9	-179.2	-169.6	0	0	111.1	R93 Q272 I273 R280 P638 R683 Y684	R93-E276 IonicContact CZ-OE1 3.1Å; R93-E276 IonicContact NH1-OE1 3.47Å; R93-E276 PolarHBondContact NH1-OE1 3.18Å; Q272-E276 PolarHBondContact NE2-OE1 3.26Å; Q272-E276 PolarHBondContact O-N 3.37Å; I273-E276 PolarHBondContact O-N 3.23Å; E276-R280 PolarHBondContact O-N 3.15Å; E276-P638 HydrophobicContact CG-CG 4.26Å; E276-R683 VanDerWaalsContact CD-NH2 3.34Å; E276-R683 IonicContact OE1-NH2 3.76Å; E276-R683 PolarHBondContact OE1-NH2 3.41Å; E276-R683 IonicContact OE2-CZ 3.57Å; E276-R683 VanDerWaalsContact OE2-CZ 3.23Å; E276-R683 IonicContact OE2-NE 3.61Å; E276-R683 PolarHBondContact OE2-NE 3.42Å; E276-R683 IonicContact OE2-NH2 3.68Å; E276-R683 PolarHBondContact OE2-NH2 2.97Å; E276-Y684 PolarHBondContact OE2-OH 2.79Å
277	L	86.4	Confident	81.7	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-75.5	-44.2	173.9	-68.1	-179	0	0	0	113	I273 R274 R275 G279 R280 L281 V313 L316 M317	I273-L277 HydrophobicContact CG2-CD1 3.77Å; I273-L277 HydrophobicContact CG2-CG 4Å; I273-L277 PolarHBondContact O-N 2.98Å; R274-L277 PolarHBondContact O-N 2.84Å; R275-L277 VanDerWaalsContact C-N 3.34Å; L277-G279 VanDerWaalsContact C-N 3.33Å; L277-G279 PolarHBondContact O-N 2.83Å; L277-R280 WeakPolarHBondContact O-CB 3.36Å; L277-R280 PolarHBondContact O-N 3.18Å; L277-R280 VanDerWaalsContact O-N 3.12Å; L277-L281 PolarHBondContact O-N 2.83Å; L277-V313 HydrophobicContact CB-CG1 4.11Å; L277-L316 HydrophobicContact CD1-CB 3.93Å; L277-L316 HydrophobicContact CD2-CB 3.99Å; L277-L316 HydrophobicContact CD2-CD1 4.04Å; L277-M317 HydrophobicContact CB-SD 4.17Å; L277-M317 HydrophobicContact CD1-CG 3.97Å; L277-M317 HydrophobicContact CD1-SD 3.76Å
278	D	83.2	Confident	82.5	Confident	59 Å²	59	39.5 Å²	39.5	32%	0.316	20%	0.198	S	C	.	.	H	α-helix	trans	-60	-41.6	173	173.8	53.5	0	0	0	111.7	R274 R280 L281 Q282	R274-D278 VanDerWaalsContact O-CB 3.3Å; R274-D278 WeakPolarHBondContact O-CB 3.39Å; R274-D278 PolarHBondContact O-N 2.9Å; D278-R280 VanDerWaalsContact C-N 3.26Å; D278-R280 PolarHBondContact O-N 3.47Å; D278-L281 WeakPolarHBondContact O-CB 3.47Å; D278-L281 PolarHBondContact O-N 2.92Å; D278-Q282 WeakPolarHBondContact O-CG 3.34Å; D278-Q282 PolarHBondContact O-N 2.89Å; D278-Q282 PolarHBondContact OD1-NE2 3.25Å; D278-Q282 PolarHBondContact OD2-NE2 2.67Å
279	G	84	Confident	83	Confident	16 Å²	16	44.4 Å²	44.4	17%	0.165	22%	0.218	C	C	.	.	H	α-helix	trans	-57.8	-35.8	173.2	0	0	0	0	0	113.6	R275 L277 L283	R275-G279 PolarHBondContact O-N 2.89Å; L277-G279 VanDerWaalsContact C-N 3.33Å; L277-G279 PolarHBondContact O-N 2.83Å; G279-L283 WeakPolarHBondContact O-CB 3.24Å; G279-L283 PolarHBondContact O-N 3.38Å; G279-L283 VanDerWaalsContact O-N 3.11Å
280	R	86.2	Confident	83.4	Confident	31 Å²	31	46 Å²	46	12%	0.117	23%	0.226	C	C	.	.	H	α-helix	trans	-71	-38.5	173.1	-74.8	174.6	55.2	-168.7	-6.4	112.1	E276 L277 D278 L283 A284 S312 V313 C639 A682 R683	E276-R280 PolarHBondContact O-N 3.15Å; L277-R280 WeakPolarHBondContact O-CB 3.36Å; L277-R280 PolarHBondContact O-N 3.18Å; L277-R280 VanDerWaalsContact O-N 3.12Å; D278-R280 VanDerWaalsContact C-N 3.26Å; D278-R280 PolarHBondContact O-N 3.47Å; R280-L283 PolarHBondContact O-N 3.25Å; R280-A284 PolarHBondContact O-N 3.04Å; R280-S312 PolarHBondContact NH2-OG 2.8Å; R280-V313 HydrophobicContact CB-CG2 4.05Å; R280-C639 PolarHBondContact N-SG 3.49Å; R280-A682 PolarHBondContact NH1-O 3.36Å; R280-R683 VanDerWaalsContact NH1-C 3.29Å; R280-R683 PolarHBondContact NH1-O 3.02Å
281	L	85.6	Confident	83.5	Confident	55 Å²	55	55.9 Å²	55.9	29%	0.288	26%	0.262	S	S	.	.	H	α-helix	trans	-63.9	-46.6	176.5	-168.6	66.3	0	0	0	111.1	L277 D278 L283 A284 D285 R310 V313	L277-L281 PolarHBondContact O-N 2.83Å; D278-L281 WeakPolarHBondContact O-CB 3.47Å; D278-L281 PolarHBondContact O-N 2.92Å; L281-L283 VanDerWaalsContact C-N 3.28Å; L281-L283 PolarHBondContact O-N 3.29Å; L281-A284 PolarHBondContact O-N 3.35Å; L281-D285 WeakPolarHBondContact O-CB 3.26Å; L281-D285 PolarHBondContact O-N 2.7Å; L281-R310 HydrophobicContact CD1-CB 4.42Å; L281-R310 HydrophobicContact CD1-CG 3.84Å; L281-V313 HydrophobicContact CB-CG1 4.44Å
282	Q	84.6	Confident	83.4	Confident	108 Å²	108	61.7 Å²	61.7	51%	0.505	29%	0.286	S	S	.	.	H	α-helix	trans	-59.1	-36.6	173.4	-67.9	-180	28.9	0	0	112.5	D278 K286	D278-Q282 WeakPolarHBondContact O-CG 3.34Å; D278-Q282 PolarHBondContact O-N 2.89Å; D278-Q282 PolarHBondContact OD1-NE2 3.25Å; D278-Q282 PolarHBondContact OD2-NE2 2.67Å; Q282-K286 WeakPolarHBondContact O-CB 3.48Å; Q282-K286 PolarHBondContact O-N 3.34Å
283	L	83.9	Confident	83.3	Confident	71 Å²	71	62.1 Å²	62.1	37%	0.372	29%	0.287	S	S	.	.	H	α-helix	trans	-67.5	-45	175.6	-178.5	61.4	0	0	0	112	G279 R280 L281 D285 K286 M287	G279-L283 WeakPolarHBondContact O-CB 3.24Å; G279-L283 PolarHBondContact O-N 3.38Å; G279-L283 VanDerWaalsContact O-N 3.11Å; R280-L283 PolarHBondContact O-N 3.25Å; L281-L283 VanDerWaalsContact C-N 3.28Å; L281-L283 PolarHBondContact O-N 3.29Å; L283-D285 VanDerWaalsContact C-N 3.34Å; L283-D285 PolarHBondContact O-N 2.99Å; L283-K286 WeakPolarHBondContact O-CB 3.43Å; L283-K286 PolarHBondContact O-N 3.48Å; L283-M287 HydrophobicContact CG-SD 4.42Å; L283-M287 WeakPolarHBondContact O-CG 3.45Å; L283-M287 PolarHBondContact O-N 3.34Å
284	A	85.7	Confident	83.1	Confident	2 Å²	2	64.4 Å²	64.4	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-44.1	175.5	0	0	0	0	0	111.5	R280 L281 K286 M287 A288 L309	R280-A284 PolarHBondContact O-N 3.04Å; L281-A284 PolarHBondContact O-N 3.35Å; A284-K286 VanDerWaalsContact C-N 3.32Å; A284-K286 PolarHBondContact O-N 3.07Å; A284-M287 PolarHBondContact O-N 2.84Å; A284-A288 PolarHBondContact O-N 3.26Å; A284-L309 HydrophobicContact CB-CB 4.09Å; A284-L309 HydrophobicContact CB-CD1 4.07Å
285	D	85.5	Confident	83.3	Confident	45 Å²	45	71.4 Å²	71.4	24%	0.241	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-38.8	173.9	-105.5	36.6	0	0	0	112.9	L281 L283 K289 R310	L281-D285 WeakPolarHBondContact O-CB 3.26Å; L281-D285 PolarHBondContact O-N 2.7Å; L283-D285 VanDerWaalsContact C-N 3.34Å; L283-D285 PolarHBondContact O-N 2.99Å; D285-K289 WeakPolarHBondContact O-CB 3.33Å; D285-K289 VanDerWaalsContact O-CD 3.31Å; D285-K289 WeakPolarHBondContact O-CD 3.28Å; D285-K289 WeakPolarHBondContact O-CG 3.2Å; D285-K289 PolarHBondContact O-N 3.3Å; D285-K289 IonicContact OD2-NZ 2.64Å; D285-K289 PolarHBondContact OD2-NZ 3.37Å; D285-R310 IonicContact OD1-CZ 2.83Å; D285-R310 IonicContact OD1-NE 3.98Å; D285-R310 PolarHBondContact OD1-NE 3.3Å; D285-R310 IonicContact OD1-NH2 2.78Å; D285-R310 PolarHBondContact OD1-NH2 2.82Å
286	K	84.9	Confident	83.7	Confident	110 Å²	110	69.3 Å²	69.3	48%	0.478	33%	0.326	S	S	.	.	H	α-helix	trans	-67	-42.3	174.6	-175.4	-178.4	177.5	-176	0	111.6	Q282 L283 A284 A288 K289 E290	Q282-K286 WeakPolarHBondContact O-CB 3.48Å; Q282-K286 PolarHBondContact O-N 3.34Å; L283-K286 WeakPolarHBondContact O-CB 3.43Å; L283-K286 PolarHBondContact O-N 3.48Å; A284-K286 VanDerWaalsContact C-N 3.32Å; A284-K286 PolarHBondContact O-N 3.07Å; K286-A288 VanDerWaalsContact C-N 3.34Å; K286-A288 PolarHBondContact O-N 2.99Å; K286-K289 PolarHBondContact O-N 2.93Å; K286-E290 WeakPolarHBondContact CE-OE1 3.36Å; K286-E290 HydrophobicContact CG-CG 4.32Å; K286-E290 IonicContact NZ-OE1 3.25Å; K286-E290 WeakPolarHBondContact O-CB 3.27Å; K286-E290 PolarHBondContact O-N 3.26Å
287	M	84.3	Confident	83.5	Confident	40 Å²	40	72.9 Å²	72.9	20%	0.197	35%	0.345	C	S	.	.	H	α-helix	trans	-61.7	-42.5	175.8	-70.5	174.9	74	0	0	111.3	L283 A284 R291 K292 F293 Y305 I306	L283-M287 HydrophobicContact CG-SD 4.42Å; L283-M287 WeakPolarHBondContact O-CG 3.45Å; L283-M287 PolarHBondContact O-N 3.34Å; A284-M287 PolarHBondContact O-N 2.84Å; M287-R291 WeakPolarHBondContact O-CA 3.37Å; M287-R291 PolarHBondContact O-N 3.44Å; M287-K292 VanDerWaalsContact CE-O 3.26Å; M287-K292 WeakPolarHBondContact CE-O 3.4Å; M287-K292 PolarHBondContact O-N 2.85Å; M287-F293 WeakPolarHBondContact O-CE1 3.23Å; M287-Y305 HydrophobicContact CE-CE1 4.11Å; M287-I306 HydrophobicContact CB-CD1 4.16Å
288	A	84.7	Confident	83.3	Confident	35 Å²	35	74.4 Å²	74.4	29%	0.289	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-42.9	174.1	0	0	0	0	0	112.8	A284 K286 I306	A284-A288 PolarHBondContact O-N 3.26Å; K286-A288 VanDerWaalsContact C-N 3.34Å; K286-A288 PolarHBondContact O-N 2.99Å; A288-I306 HydrophobicContact CB-CD1 4.47Å; A288-I306 HydrophobicContact CB-CG1 4.19Å; A288-I306 HydrophobicContact CB-CG2 4.16Å
289	K	84.8	Confident	83.1	Confident	157 Å²	157	79.9 Å²	79.9	68%	0.683	38%	0.379	S	S	*	.	H	α-helix	trans	-70	-40.4	178.4	-72.4	160.8	-173.2	155.3	0	112.8	D285 K286	D285-K289 WeakPolarHBondContact O-CB 3.33Å; D285-K289 VanDerWaalsContact O-CD 3.31Å; D285-K289 WeakPolarHBondContact O-CD 3.28Å; D285-K289 WeakPolarHBondContact O-CG 3.2Å; D285-K289 PolarHBondContact O-N 3.3Å; D285-K289 IonicContact OD2-NZ 2.64Å; D285-K289 PolarHBondContact OD2-NZ 3.37Å; K286-K289 PolarHBondContact O-N 2.93Å
290	E	85.9	Confident	82.9	Confident	86 Å²	86	83.6 Å²	83.6	40%	0.402	40%	0.395	S	S	.	.	H	α-helix	trans	-86.1	-8.8	-179.8	-66.8	-171.9	-172	0	0	114	K286 K292	K286-E290 WeakPolarHBondContact CE-OE1 3.36Å; K286-E290 HydrophobicContact CG-CG 4.32Å; K286-E290 IonicContact NZ-OE1 3.25Å; K286-E290 WeakPolarHBondContact O-CB 3.27Å; K286-E290 PolarHBondContact O-N 3.26Å; E290-K292 HydrophobicContact CB-CD 4.12Å; E290-K292 HydrophobicContact CB-CG 4.11Å; E290-K292 PolarHBondContact O-N 3.06Å; E290-K292 WeakPolarHBondContact OE2-CD 3.39Å; E290-K292 VanDerWaalsContact OE2-CE 3.29Å; E290-K292 WeakPolarHBondContact OE2-CE 3.35Å; E290-K292 IonicContact OE2-NZ 3.65Å; E290-K292 PolarHBondContact OE2-NZ 2.98Å
291	R	78.8	Confident	82.8	Confident	210 Å²	210	83.6 Å²	83.6	79%	0.792	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	39	-172	-62	-173.4	176.9	-171.1	-2	113.7	M287 F293	M287-R291 WeakPolarHBondContact O-CA 3.37Å; M287-R291 PolarHBondContact O-N 3.44Å; R291-F293 HydrophobicContact CB-CE2 4.05Å; R291-F293 HydrophobicContact CB-CZ 4.41Å; R291-F293 HydrophobicContact CG-CE2 4.33Å; R291-F293 HydrophobicContact CG-CZ 4.47Å
292	K	75.6	Confident	82.7	Confident	133 Å²	133	84.1 Å²	84.1	58%	0.578	40%	0.398	S	S	*	.			trans	-102.1	92.2	176.7	-70.2	177.6	-170.9	162.9	0	108.9	M287 E290	M287-K292 VanDerWaalsContact CE-O 3.26Å; M287-K292 WeakPolarHBondContact CE-O 3.4Å; M287-K292 PolarHBondContact O-N 2.85Å; E290-K292 HydrophobicContact CB-CD 4.12Å; E290-K292 HydrophobicContact CB-CG 4.11Å; E290-K292 PolarHBondContact O-N 3.06Å; E290-K292 WeakPolarHBondContact OE2-CD 3.39Å; E290-K292 VanDerWaalsContact OE2-CE 3.29Å; E290-K292 WeakPolarHBondContact OE2-CE 3.35Å; E290-K292 IonicContact OE2-NZ 3.65Å; E290-K292 PolarHBondContact OE2-NZ 2.98Å
293	F	77.3	Confident	82.6	Confident	44 Å²	44	84.2 Å²	84.2	19%	0.193	40%	0.401	C	S	.	.			trans	-113.9	156.4	-178.8	-48.1	-57.4	0	0	0	110.8	M287 R291 F296 E302 I306	M287-F293 WeakPolarHBondContact O-CE1 3.23Å; R291-F293 HydrophobicContact CB-CE2 4.05Å; R291-F293 HydrophobicContact CB-CZ 4.41Å; R291-F293 HydrophobicContact CG-CE2 4.33Å; R291-F293 HydrophobicContact CG-CZ 4.47Å; F293-F296 HydrophobicContact CB-CE2 4.23Å; F293-E302 HydrophobicContact CD2-CB 3.91Å; F293-E302 HydrophobicContact CD2-CG 4.06Å; F293-E302 HydrophobicContact CE2-CB 4.12Å; F293-E302 HydrophobicContact CG-CB 4.48Å; F293-I306 HydrophobicContact CD1-CD1 4.31Å; F293-I306 HydrophobicContact CE1-CD1 3.95Å; F293-I306 HydrophobicContact CE1-CG1 3.94Å
294	P	79.6	Confident	82.6	Confident	52 Å²	52	84.1 Å²	84.1	34%	0.338	40%	0.4	S	S	.	.			trans	-53.7	156.3	156.4	-21.7	33.5	0	0	0	110.8	F296 Y305	P294-F296 HydrophobicContact CB-CE2 4.05Å; P294-F296 HydrophobicContact CB-CZ 4.05Å; P294-F296 HydrophobicContact CG-CE2 4.32Å; P294-F296 HydrophobicContact CG-CZ 4.16Å; P294-F296 WeakPolarHBondContact O-CD2 3.42Å; P294-F296 VanDerWaalsContact O-CE2 3.25Å; P294-F296 WeakPolarHBondContact O-CE2 3.3Å; P294-F296 PolarHBondContact O-N 2.95Å; P294-Y305 HydrophobicContact CG-CE1 4.21Å
295	K	84.1	Confident	82.6	Confident	170 Å²	170	85.4 Å²	85.4	74%	0.739	41%	0.405	S	S	*	.			trans	-73.6	125.8	171.1	-65.8	178.3	-176.9	172.2	0	109.1	S737 V738	K295-S737 CarbonylContact O-C 3.55Å; K295-S737 VanDerWaalsContact O-CA 3.26Å; K295-S737 WeakPolarHBondContact O-CA 3.36Å; K295-S737 WeakPolarHBondContact O-CB 3.29Å; K295-V738 HydrophobicContact CB-CB 4.16Å; K295-V738 HydrophobicContact CB-CG2 3.91Å; K295-V738 PolarHBondContact O-N 3Å
296	F	86.9	Confident	82.6	Confident	20 Å²	20	83.7 Å²	83.7	9%	0.088	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-105.6	160.1	174.8	-66	-83.6	0	0	0	112.1	F293 P294 A298 M301 E302 Y305 V736	F293-F296 HydrophobicContact CB-CE2 4.23Å; P294-F296 HydrophobicContact CB-CE2 4.05Å; P294-F296 HydrophobicContact CB-CZ 4.05Å; P294-F296 HydrophobicContact CG-CE2 4.32Å; P294-F296 HydrophobicContact CG-CZ 4.16Å; P294-F296 WeakPolarHBondContact O-CD2 3.42Å; P294-F296 VanDerWaalsContact O-CE2 3.25Å; P294-F296 WeakPolarHBondContact O-CE2 3.3Å; P294-F296 PolarHBondContact O-N 2.95Å; F296-A298 VanDerWaalsContact C-N 3.29Å; F296-A298 PolarHBondContact O-N 3.09Å; F296-M301 HydrophobicContact CB-CB 3.78Å; F296-M301 HydrophobicContact CB-SD 4.33Å; F296-M301 HydrophobicContact CD1-CB 4.05Å; F296-M301 HydrophobicContact CG-CB 3.93Å; F296-E302 HydrophobicContact CD2-CG 4.1Å; F296-Y305 HydrophobicContact CE1-CD2 4.11Å; F296-Y305 HydrophobicContact CE1-CG 4.13Å; F296-Y305 HydrophobicContact CE2-CD1 4.06Å; F296-Y305 HydrophobicContact CE2-CG 4.04Å; F296-Y305 AromaticContact CZ-CD1 3.67Å; F296-Y305 HydrophobicContact CZ-CD1 3.67Å; F296-Y305 AromaticContact CZ-CD2 3.68Å; F296-Y305 HydrophobicContact CZ-CD2 3.68Å; F296-Y305 HydrophobicContact CZ-CE1 4.24Å; F296-Y305 HydrophobicContact CZ-CE2 4.26Å; F296-Y305 AromaticContact CZ-CG 3.36Å; F296-Y305 HydrophobicContact CZ-CG 3.36Å; F296-V736 WeakPolarHBondContact CD1-O 3.47Å
297	I	82.7	Confident	82.7	Confident	85 Å²	85	84.1 Å²	84.1	44%	0.436	40%	0.399	S	S	.	.	S	Bend	trans	-64.1	-35.7	178.4	-63.8	-178	0	0	0	111.6	M301 V736 K741	I297-M301 HydrophobicContact CB-SD 4.48Å; I297-V736 HydrophobicContact CD1-CB 3.82Å; I297-V736 HydrophobicContact CD1-CG1 3.5Å; I297-V736 HydrophobicContact CG1-CB 4.31Å; I297-V736 HydrophobicContact CG1-CG1 4.22Å; I297-V736 PolarHBondContact N-O 3.02Å; I297-K741 HydrophobicContact CD1-CB 4.13Å; I297-K741 HydrophobicContact CD1-CD 3.72Å
298	A	82.2	Confident	82.8	Confident	34 Å²	34	83.6 Å²	83.6	28%	0.281	40%	0.396	S	S	.	.	S	Bend	trans	-134	150	178.2	0	0	0	0	0	110.8	F296 D300 M301	F296-A298 VanDerWaalsContact C-N 3.29Å; F296-A298 PolarHBondContact O-N 3.09Å; A298-D300 WeakPolarHBondContact CB-OD1 3.23Å; A298-M301 HydrophobicContact CB-CE 4.39Å; A298-M301 HydrophobicContact CB-CG 4.37Å; A298-M301 HydrophobicContact CB-SD 4.46Å; A298-M301 VanDerWaalsContact O-CB 3.28Å; A298-M301 WeakPolarHBondContact O-CB 3.28Å; A298-M301 PolarHBondContact O-N 3.19Å
299	K	77.9	Confident	82.8	Confident	174 Å²	174	83.3 Å²	83.3	76%	0.757	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-26.2	-167.8	-67.8	-173.3	176	-176.8	0	114.3	M301 E302	K299-M301 PolarHBondContact O-N 3.44Å; K299-E302 WeakPolarHBondContact O-CB 3.32Å; K299-E302 WeakPolarHBondContact O-CG 3.49Å; K299-E302 PolarHBondContact O-N 3.06Å
300	D	80.6	Confident	83	Confident	94 Å²	94	80.3 Å²	80.3	50%	0.503	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-30.9	170.2	55.4	-50.8	0	0	0	112.1	A298 E302 N303 M304	A298-D300 WeakPolarHBondContact CB-OD1 3.23Å; D300-E302 PolarHBondContact O-N 2.99Å; D300-N303 PolarHBondContact O-N 2.74Å; D300-M304 HydrophobicContact CB-CE 4.27Å; D300-M304 PolarHBondContact O-N 2.91Å; D300-M304 VanDerWaalsContact OD2-CE 3.3Å; D300-M304 WeakPolarHBondContact OD2-CE 3.41Å
301	M	83.8	Confident	83	Confident	30 Å²	30	80 Å²	80	15%	0.148	38%	0.381	C	S	.	.	H	α-helix	trans	-64.2	-22	175.6	-58.7	-177.6	173.4	0	0	113.7	F296 I297 A298 K299 N303 M304 Y305 T735	F296-M301 HydrophobicContact CB-CB 3.78Å; F296-M301 HydrophobicContact CB-SD 4.33Å; F296-M301 HydrophobicContact CD1-CB 4.05Å; F296-M301 HydrophobicContact CG-CB 3.93Å; I297-M301 HydrophobicContact CB-SD 4.48Å; A298-M301 HydrophobicContact CB-CE 4.39Å; A298-M301 HydrophobicContact CB-CG 4.37Å; A298-M301 HydrophobicContact CB-SD 4.46Å; A298-M301 VanDerWaalsContact O-CB 3.28Å; A298-M301 WeakPolarHBondContact O-CB 3.28Å; A298-M301 PolarHBondContact O-N 3.19Å; K299-M301 PolarHBondContact O-N 3.44Å; M301-N303 VanDerWaalsContact C-N 3.31Å; M301-N303 PolarHBondContact O-N 3.27Å; M301-M304 HydrophobicContact CB-CE 4.39Å; M301-M304 HydrophobicContact CG-CE 3.93Å; M301-M304 PolarHBondContact O-N 2.99Å; M301-Y305 VanDerWaalsContact O-CB 3.3Å; M301-Y305 WeakPolarHBondContact O-CB 3.39Å; M301-Y305 PolarHBondContact O-N 3.4Å; M301-T735 HydrophobicContact CB-CG2 3.99Å; M301-T735 WeakPolarHBondContact O-CG2 3.27Å
302	E	83.4	Confident	83.4	Confident	67 Å²	67	71.9 Å²	71.9	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-39.6	177.6	-65.6	174.6	-153.4	0	0	111.7	F293 F296 K299 D300	F293-E302 HydrophobicContact CD2-CB 3.91Å; F293-E302 HydrophobicContact CD2-CG 4.06Å; F293-E302 HydrophobicContact CE2-CB 4.12Å; F293-E302 HydrophobicContact CG-CB 4.48Å; F296-E302 HydrophobicContact CD2-CG 4.1Å; K299-E302 WeakPolarHBondContact O-CB 3.32Å; K299-E302 WeakPolarHBondContact O-CG 3.49Å; K299-E302 PolarHBondContact O-N 3.06Å; D300-E302 PolarHBondContact O-N 2.99Å
303	N	81.9	Confident	83.9	Confident	109 Å²	109	65.8 Å²	65.8	58%	0.583	33%	0.331	S	S	*	.	H	α-helix	trans	-77.6	-45.8	176.3	-67.1	-33.9	0	0	0	111.3	D300 M301 Y305 I306 E307	D300-N303 PolarHBondContact O-N 2.74Å; M301-N303 VanDerWaalsContact C-N 3.31Å; M301-N303 PolarHBondContact O-N 3.27Å; N303-Y305 PolarHBondContact O-N 3.29Å; N303-Y305 VanDerWaalsContact O-N 3.14Å; N303-I306 PolarHBondContact O-N 2.89Å; N303-E307 PolarHBondContact O-N 2.73Å
304	M	84	Confident	84.3	Confident	70 Å²	70	68.1 Å²	68.1	35%	0.345	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-26.2	178.4	-66.5	-170.5	-76	0	0	112.5	D300 M301 E307 E308 T735	D300-M304 HydrophobicContact CB-CE 4.27Å; D300-M304 PolarHBondContact O-N 2.91Å; D300-M304 VanDerWaalsContact OD2-CE 3.3Å; D300-M304 WeakPolarHBondContact OD2-CE 3.41Å; M301-M304 HydrophobicContact CB-CE 4.39Å; M301-M304 HydrophobicContact CG-CE 3.93Å; M301-M304 PolarHBondContact O-N 2.99Å; M304-E307 PolarHBondContact O-N 3.27Å; M304-E308 VanDerWaalsContact O-CB 3.27Å; M304-E308 WeakPolarHBondContact O-CB 3.47Å; M304-E308 PolarHBondContact O-N 2.96Å; M304-T735 HydrophobicContact CB-CG2 3.73Å
305	Y	85.8	Confident	84.7	Confident	29 Å²	29	70.5 Å²	70.5	11%	0.114	36%	0.355	C	S	.	.	H	α-helix	trans	-70.3	-35.3	175.2	179.2	-115.9	0	0	0	112.8	M287 P294 F296 M301 N303 E308 L309	M287-Y305 HydrophobicContact CE-CE1 4.11Å; P294-Y305 HydrophobicContact CG-CE1 4.21Å; F296-Y305 HydrophobicContact CE1-CD2 4.11Å; F296-Y305 HydrophobicContact CE1-CG 4.13Å; F296-Y305 HydrophobicContact CE2-CD1 4.06Å; F296-Y305 HydrophobicContact CE2-CG 4.04Å; F296-Y305 AromaticContact CZ-CD1 3.67Å; F296-Y305 HydrophobicContact CZ-CD1 3.67Å; F296-Y305 AromaticContact CZ-CD2 3.68Å; F296-Y305 HydrophobicContact CZ-CD2 3.68Å; F296-Y305 HydrophobicContact CZ-CE1 4.24Å; F296-Y305 HydrophobicContact CZ-CE2 4.26Å; F296-Y305 AromaticContact CZ-CG 3.36Å; F296-Y305 HydrophobicContact CZ-CG 3.36Å; M301-Y305 VanDerWaalsContact O-CB 3.3Å; M301-Y305 WeakPolarHBondContact O-CB 3.39Å; M301-Y305 PolarHBondContact O-N 3.4Å; N303-Y305 PolarHBondContact O-N 3.29Å; N303-Y305 VanDerWaalsContact O-N 3.14Å; Y305-E308 WeakPolarHBondContact O-CB 3.26Å; Y305-L309 HydrophobicContact CD1-CD1 4.19Å; Y305-L309 HydrophobicContact CE1-CD1 3.66Å; Y305-L309 HydrophobicContact CE1-CG 4.34Å; Y305-L309 HydrophobicContact CE2-CD1 4.39Å; Y305-L309 HydrophobicContact CE2-CD2 4.41Å; Y305-L309 HydrophobicContact CE2-CG 4.21Å; Y305-L309 WeakPolarHBondContact O-CG 3.49Å; Y305-L309 PolarHBondContact O-N 3.13Å
306	I	86.4	Confident	84.8	Confident	9 Å²	9	62.9 Å²	62.9	5%	0.046	32%	0.322	C	S	.	.	H	α-helix	trans	-71.7	-35.5	174.1	-60.9	-55.3	0	0	0	110.6	M287 A288 F293 N303 L309 R310	M287-I306 HydrophobicContact CB-CD1 4.16Å; A288-I306 HydrophobicContact CB-CD1 4.47Å; A288-I306 HydrophobicContact CB-CG1 4.19Å; A288-I306 HydrophobicContact CB-CG2 4.16Å; F293-I306 HydrophobicContact CD1-CD1 4.31Å; F293-I306 HydrophobicContact CE1-CD1 3.95Å; F293-I306 HydrophobicContact CE1-CG1 3.94Å; N303-I306 PolarHBondContact O-N 2.89Å; I306-L309 HydrophobicContact CD1-CD1 4.37Å; I306-L309 PolarHBondContact O-N 3.04Å; I306-R310 WeakPolarHBondContact O-CB 3.31Å; I306-R310 VanDerWaalsContact O-CG 3.25Å; I306-R310 WeakPolarHBondContact O-CG 3.25Å; I306-R310 PolarHBondContact O-N 3.24Å
307	E	85.6	Confident	84.6	Confident	119 Å²	119	64.3 Å²	64.3	56%	0.556	33%	0.329	S	S	*	.	H	α-helix	trans	-68.2	-41.2	173.5	-67.4	171	-179.9	0	0	111.9	N303 M304 R310 S311	N303-E307 PolarHBondContact O-N 2.73Å; M304-E307 PolarHBondContact O-N 3.27Å; E307-R310 PolarHBondContact O-N 2.91Å; E307-S311 WeakPolarHBondContact O-CB 3.35Å; E307-S311 PolarHBondContact O-N 3.41Å
308	E	85.8	Confident	84.4	Confident	28 Å²	28	62.3 Å²	62.3	13%	0.131	33%	0.325	C	S	.	.	H	α-helix	trans	-55	-51.8	169.1	170.5	-169.4	158.6	0	0	111.4	M304 Y305 S311 S312 R687 I733 T735	M304-E308 VanDerWaalsContact O-CB 3.27Å; M304-E308 WeakPolarHBondContact O-CB 3.47Å; M304-E308 PolarHBondContact O-N 2.96Å; Y305-E308 WeakPolarHBondContact O-CB 3.26Å; E308-S311 PolarHBondContact O-N 3.45Å; E308-S312 WeakPolarHBondContact O-CB 3.36Å; E308-S312 PolarHBondContact O-N 3.38Å; E308-R687 IonicContact OE1-CZ 3.44Å; E308-R687 IonicContact OE1-NE 2.69Å; E308-R687 PolarHBondContact OE1-NE 2.67Å; E308-R687 IonicContact OE1-NH2 2.78Å; E308-R687 PolarHBondContact OE1-NH2 2.89Å; E308-R687 IonicContact OE2-CZ 2.75Å; E308-R687 IonicContact OE2-NH2 3.44Å; E308-R687 PolarHBondContact OE2-NH2 3.14Å; E308-I733 HydrophobicContact CG-CD1 4.48Å; E308-I733 HydrophobicContact CG-CG1 4.34Å; E308-I733 HydrophobicContact CG-CG2 3.84Å; E308-I733 WeakPolarHBondContact OE2-CG2 3.43Å; E308-T735 PolarHBondContact OE2-OG1 2.9Å
309	L	86.3	Confident	84.4	Confident	29 Å²	29	63 Å²	63	15%	0.152	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-48.8	179.5	-74.9	177	0	0	0	111.6	A284 Y305 I306 S312 V313	A284-L309 HydrophobicContact CB-CB 4.09Å; A284-L309 HydrophobicContact CB-CD1 4.07Å; Y305-L309 HydrophobicContact CD1-CD1 4.19Å; Y305-L309 HydrophobicContact CE1-CD1 3.66Å; Y305-L309 HydrophobicContact CE1-CG 4.34Å; Y305-L309 HydrophobicContact CE2-CD1 4.39Å; Y305-L309 HydrophobicContact CE2-CD2 4.41Å; Y305-L309 HydrophobicContact CE2-CG 4.21Å; Y305-L309 WeakPolarHBondContact O-CG 3.49Å; Y305-L309 PolarHBondContact O-N 3.13Å; I306-L309 HydrophobicContact CD1-CD1 4.37Å; I306-L309 PolarHBondContact O-N 3.04Å; L309-S312 PolarHBondContact O-N 3.03Å; L309-S312 PolarHBondContact O-OG 2.84Å; L309-V313 WeakPolarHBondContact O-CG2 3.37Å; L309-V313 PolarHBondContact O-N 3.49Å; L309-V313 VanDerWaalsContact O-N 3.1Å
310	R	88.1	Confident	84.6	Confident	94 Å²	94	54.9 Å²	54.9	36%	0.355	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-47.4	177.1	-74	169.8	170.8	173.9	-5.5	111.8	L281 D285 I306 E307 S312 V313 N314	L281-R310 HydrophobicContact CD1-CB 4.42Å; L281-R310 HydrophobicContact CD1-CG 3.84Å; D285-R310 IonicContact OD1-CZ 2.83Å; D285-R310 IonicContact OD1-NE 3.98Å; D285-R310 PolarHBondContact OD1-NE 3.3Å; D285-R310 IonicContact OD1-NH2 2.78Å; D285-R310 PolarHBondContact OD1-NH2 2.82Å; I306-R310 WeakPolarHBondContact O-CB 3.31Å; I306-R310 VanDerWaalsContact O-CG 3.25Å; I306-R310 WeakPolarHBondContact O-CG 3.25Å; I306-R310 PolarHBondContact O-N 3.24Å; E307-R310 PolarHBondContact O-N 2.91Å; R310-S312 VanDerWaalsContact C-N 3.35Å; R310-S312 PolarHBondContact O-N 2.64Å; R310-V313 PolarHBondContact O-N 3.48Å; R310-N314 WeakPolarHBondContact O-CB 3.33Å; R310-N314 PolarHBondContact O-N 3Å; R310-N314 PolarHBondContact O-OD1 3.09Å
311	S	86.1	Confident	84.2	Confident	79 Å²	79	55.3 Å²	55.3	55%	0.552	29%	0.288	S	S	*	.	H	α-helix	trans	-59.9	-43.3	177.7	-173.4	0	0	0	0	111.7	E307 E308 V313 N314 L315	E307-S311 WeakPolarHBondContact O-CB 3.35Å; E307-S311 PolarHBondContact O-N 3.41Å; E308-S311 PolarHBondContact O-N 3.45Å; S311-V313 PolarHBondContact O-N 2.83Å; S311-N314 PolarHBondContact O-N 3.06Å; S311-L315 WeakPolarHBondContact O-CB 3.2Å; S311-L315 PolarHBondContact O-N 2.93Å
312	S	86.9	Confident	83.6	Confident	40 Å²	40	58.1 Å²	58.1	28%	0.28	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-40.7	176.6	78.9	0	0	0	0	112.6	R280 E308 L309 R310 L316	R280-S312 PolarHBondContact NH2-OG 2.8Å; E308-S312 WeakPolarHBondContact O-CB 3.36Å; E308-S312 PolarHBondContact O-N 3.38Å; L309-S312 PolarHBondContact O-N 3.03Å; L309-S312 PolarHBondContact O-OG 2.84Å; R310-S312 VanDerWaalsContact C-N 3.35Å; R310-S312 PolarHBondContact O-N 2.64Å; S312-L316 VanDerWaalsContact O-CD1 3.31Å; S312-L316 WeakPolarHBondContact O-CD1 3.32Å; S312-L316 WeakPolarHBondContact O-CG 3.24Å; S312-L316 PolarHBondContact O-N 3.48Å; S312-L316 VanDerWaalsContact O-N 3.16Å
313	V	87.1	Confident	82.8	Confident	6 Å²	6	58.2 Å²	58.2	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-69.5	-41.6	177.2	172	0	0	0	0	110.9	L277 R280 L281 L309 R310 S311 L315 L316 M317	L277-V313 HydrophobicContact CB-CG1 4.11Å; R280-V313 HydrophobicContact CB-CG2 4.05Å; L281-V313 HydrophobicContact CB-CG1 4.44Å; L309-V313 WeakPolarHBondContact O-CG2 3.37Å; L309-V313 PolarHBondContact O-N 3.49Å; L309-V313 VanDerWaalsContact O-N 3.1Å; R310-V313 PolarHBondContact O-N 3.48Å; S311-V313 PolarHBondContact O-N 2.83Å; V313-L315 PolarHBondContact O-N 3.32Å; V313-L316 PolarHBondContact O-N 3.13Å; V313-M317 WeakPolarHBondContact O-CG 3.13Å; V313-M317 PolarHBondContact O-N 3.32Å
314	N	85.9	Confident	81.6	Confident	93 Å²	93	58 Å²	58	50%	0.497	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-38.5	177.8	-68.1	-7	0	0	0	112.2	R310 S311 L316 M317 A318	R310-N314 WeakPolarHBondContact O-CB 3.33Å; R310-N314 PolarHBondContact O-N 3Å; R310-N314 PolarHBondContact O-OD1 3.09Å; S311-N314 PolarHBondContact O-N 3.06Å; N314-L316 VanDerWaalsContact C-N 3.34Å; N314-M317 PolarHBondContact O-N 3.44Å; N314-A318 WeakPolarHBondContact O-CB 3.33Å; N314-A318 PolarHBondContact O-N 3.38Å
315	L	86.5	Confident	80.1	Confident	102 Å²	102	56.8 Å²	56.8	53%	0.534	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-39.2	173.1	-180	60.5	0	0	0	111.8	S311 V313 A318 N319	S311-L315 WeakPolarHBondContact O-CB 3.2Å; S311-L315 PolarHBondContact O-N 2.93Å; V313-L315 PolarHBondContact O-N 3.32Å; L315-A318 PolarHBondContact O-N 2.92Å; L315-N319 WeakPolarHBondContact O-CB 3.39Å; L315-N319 VanDerWaalsContact O-CG 3.28Å; L315-N319 PolarHBondContact O-N 3.09Å
316	L	87.1	Confident	78.3	Confident	9 Å²	9	58.1 Å²	58.1	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-68.8	-36.6	176.9	-71.5	164.5	0	0	0	112.4	F99 N100 L277 S312 V313 N314 L320 A682	F99-L316 HydrophobicContact CE2-CB 4.01Å; F99-L316 HydrophobicContact CE2-CD2 3.74Å; F99-L316 HydrophobicContact CE2-CG 4.47Å; F99-L316 HydrophobicContact CZ-CD2 4.1Å; N100-L316 HydrophobicContact CB-CD2 3.97Å; N100-L316 WeakPolarHBondContact OD1-CD2 3.07Å; L277-L316 HydrophobicContact CD1-CB 3.93Å; L277-L316 HydrophobicContact CD2-CB 3.99Å; L277-L316 HydrophobicContact CD2-CD1 4.04Å; S312-L316 VanDerWaalsContact O-CD1 3.31Å; S312-L316 WeakPolarHBondContact O-CD1 3.32Å; S312-L316 WeakPolarHBondContact O-CG 3.24Å; S312-L316 PolarHBondContact O-N 3.48Å; S312-L316 VanDerWaalsContact O-N 3.16Å; V313-L316 PolarHBondContact O-N 3.13Å; N314-L316 VanDerWaalsContact C-N 3.34Å; L316-L320 PolarHBondContact O-N 3.25Å; L316-L320 VanDerWaalsContact O-N 3.11Å; L316-A682 WeakPolarHBondContact CD1-O 3.33Å; L316-A682 HydrophobicContact CD2-CB 4.01Å
317	M	81.3	Confident	76	Confident	50 Å²	50	68.1 Å²	68.1	25%	0.246	37%	0.371	C	S	.	.	H	α-helix	trans	-61.5	-49.5	169.7	-70.3	-73.8	-80.8	0	0	110.7	R274 L277 V313 N314 N319 L320 E321 Y518	R274-M317 HydrophobicContact CG-CE 4.3Å; R274-M317 HydrophobicContact CG-SD 4.2Å; L277-M317 HydrophobicContact CB-SD 4.17Å; L277-M317 HydrophobicContact CD1-CG 3.97Å; L277-M317 HydrophobicContact CD1-SD 3.76Å; V313-M317 WeakPolarHBondContact O-CG 3.13Å; V313-M317 PolarHBondContact O-N 3.32Å; N314-M317 PolarHBondContact O-N 3.44Å; M317-N319 VanDerWaalsContact C-N 3.34Å; M317-N319 PolarHBondContact O-N 3.49Å; M317-L320 PolarHBondContact O-N 2.92Å; M317-E321 WeakPolarHBondContact O-CG 3.39Å; M317-E321 PolarHBondContact O-N 3.13Å; M317-Y518 HydrophobicContact CE-CD1 4.43Å; M317-Y518 HydrophobicContact CE-CE1 3.77Å; M317-Y518 PolarHBondContact O-OH 2.88Å; M317-Y518 HydrophobicContact SD-CE1 4.16Å
318	A	79.7	Confident	73.6	Confident	43 Å²	43	65.5 Å²	65.5	36%	0.355	38%	0.376	S	S	.	.	H	α-helix	trans	-63.7	-34.1	178.2	0	0	0	0	0	113.6	N314 L315 E321 S322	N314-A318 WeakPolarHBondContact O-CB 3.33Å; N314-A318 PolarHBondContact O-N 3.38Å; L315-A318 PolarHBondContact O-N 2.92Å; A318-E321 WeakPolarHBondContact O-CB 3.11Å; A318-E321 PolarHBondContact O-N 3.25Å; A318-S322 PolarHBondContact O-N 3.14Å; A318-S322 VanDerWaalsContact O-N 3.12Å
319	N	83.1	Confident	71.3	Confident	48 Å²	48	67.3 Å²	67.3	26%	0.257	40%	0.402	S	S	.	.	H	α-helix	trans	-67.1	-43.4	174.5	-76.7	-10.8	0	0	0	111.3	N100 L315 M317 E321 S322	N100-N319 PolarHBondContact OD1-ND2 2.91Å; L315-N319 WeakPolarHBondContact O-CB 3.39Å; L315-N319 VanDerWaalsContact O-CG 3.28Å; L315-N319 PolarHBondContact O-N 3.09Å; M317-N319 VanDerWaalsContact C-N 3.34Å; M317-N319 PolarHBondContact O-N 3.49Å; N319-E321 VanDerWaalsContact C-N 3.35Å; N319-S322 WeakPolarHBondContact O-CB 3.45Å; N319-S322 PolarHBondContact O-N 3.27Å; N319-S322 PolarHBondContact O-OG 3.1Å
320	L	81.8	Confident	68.9	Low	4 Å²	4	72.4 Å²	72.4	2%	0.021	44%	0.437	C	S	.	.	H	α-helix	trans	-70.3	-27.6	174.3	174.3	68.3	0	0	0	112.5	F99 A270 I273 L316 M317 S322 L323 Q517 Y518	F99-L320 HydrophobicContact CB-CB 4.29Å; F99-L320 HydrophobicContact CB-CD1 3.82Å; F99-L320 HydrophobicContact CD2-CB 3.75Å; F99-L320 HydrophobicContact CE2-CB 4.45Å; F99-L320 HydrophobicContact CG-CB 4.27Å; F99-L320 HydrophobicContact CG-CD1 4.35Å; A270-L320 HydrophobicContact CB-CD1 4.44Å; I273-L320 HydrophobicContact CB-CD2 3.65Å; I273-L320 HydrophobicContact CD1-CD1 3.81Å; I273-L320 HydrophobicContact CD1-CD2 3.85Å; I273-L320 HydrophobicContact CD1-CG 4.49Å; I273-L320 HydrophobicContact CG1-CD2 4.39Å; I273-L320 HydrophobicContact CG2-CD2 3.65Å; L316-L320 PolarHBondContact O-N 3.25Å; L316-L320 VanDerWaalsContact O-N 3.11Å; M317-L320 PolarHBondContact O-N 2.92Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 3.42Å; L320-L323 HydrophobicContact CD1-CD1 3.93Å; L320-Q517 VanDerWaalsContact O-CD 3.26Å; L320-Q517 PolarHBondContact O-NE2 3.2Å; L320-Q517 PolarHBondContact O-OE1 3.34Å; L320-Y518 WeakPolarHBondContact CB-OH 3.41Å; L320-Y518 VanDerWaalsContact CD2-OH 3.24Å; L320-Y518 WeakPolarHBondContact CD2-OH 3.5Å; L320-Y518 HydrophobicContact CG-CE2 4.02Å; L320-Y518 WeakPolarHBondContact CG-OH 3.21Å
321	E	71.2	Confident	66.3	Low	103 Å²	103	75 Å²	75	48%	0.481	45%	0.453	S	S	.	.	H	α-helix	trans	-66.2	-26.6	168.8	-75.5	166.9	-147.6	0	0	113.4	M317 A318 N319 L323 Y518	M317-E321 WeakPolarHBondContact O-CG 3.39Å; M317-E321 PolarHBondContact O-N 3.13Å; A318-E321 WeakPolarHBondContact O-CB 3.11Å; A318-E321 PolarHBondContact O-N 3.25Å; N319-E321 VanDerWaalsContact C-N 3.35Å; E321-L323 VanDerWaalsContact C-N 3.27Å; E321-L323 PolarHBondContact O-N 3.05Å; E321-Y518 HydrophobicContact CB-CD2 4.3Å; E321-Y518 HydrophobicContact CB-CE2 4.09Å; E321-Y518 HydrophobicContact CG-CD1 3.73Å; E321-Y518 HydrophobicContact CG-CD2 3.55Å; E321-Y518 HydrophobicContact CG-CE1 3.6Å; E321-Y518 HydrophobicContact CG-CE2 3.49Å; E321-Y518 VanDerWaalsContact CG-CE2 3.49Å; E321-Y518 HydrophobicContact CG-CG 3.68Å; E321-Y518 VanDerWaalsContact CG-CZ 3.46Å; E321-Y518 PolarHBondContact N-OH 3.42Å
322	S	70.6	Confident	64	Low	90 Å²	90	77.9 Å²	77.9	63%	0.629	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.6	-176.3	80.5	0	0	0	0	114.6	A318 N319 L320	A318-S322 PolarHBondContact O-N 3.14Å; A318-S322 VanDerWaalsContact O-N 3.12Å; N319-S322 WeakPolarHBondContact O-CB 3.45Å; N319-S322 PolarHBondContact O-N 3.27Å; N319-S322 PolarHBondContact O-OG 3.1Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 3.42Å
323	L	67.1	Low	61.4	Low	69 Å²	69	83.8 Å²	83.8	36%	0.361	48%	0.477	S	S	.	.	S	Bend	trans	-76.5	146.7	-178	-55.5	-177.3	0	0	0	111.2	F99 L320 E321 V325 Q517	F99-L323 HydrophobicContact CB-CD1 4.26Å; L320-L323 HydrophobicContact CD1-CD1 3.93Å; E321-L323 VanDerWaalsContact C-N 3.27Å; E321-L323 PolarHBondContact O-N 3.05Å; L323-V325 PolarHBondContact O-N 3.37Å; L323-Q517 PolarHBondContact O-OE1 2.9Å
324	P	57.3	Low	59.1	Low	104 Å²	104	89 Å²	89	68%	0.675	50%	0.504	S	S	*	.			trans	-76.4	128	-178.6	29	-33.7	0	0	0	111.5	S326	P324-S326 PolarHBondContact O-N 3.39Å
325	V	52.3	Low	56.6	Low	44 Å²	44	93.3 Å²	93.3	27%	0.267	52%	0.521	S	S	.	.	S	Bend	trans	-61	107.3	172.5	178.7	0	0	0	0	110.2	L323 Q517	L323-V325 PolarHBondContact O-N 3.37Å; V325-Q517 HydrophobicContact CG2-CB 3.84Å
326	S	47.6	Very low	54	Low	58 Å²	58	97.7 Å²	97.7	41%	0.406	54%	0.536	S	S	.	.			trans	45.6	104.3	165.9	-63.5	0	0	0	0	117.6	P324 G328	P324-S326 PolarHBondContact O-N 3.39Å; S326-G328 VanDerWaalsContact C-N 3.34Å; S326-G328 PolarHBondContact O-N 3.19Å
327	K	38.9	Very low	51.4	Low	218 Å²	218	104.5 Å²	104.5	95%	0.948	57%	0.571	S	S	*	*	S	Bend	trans	-65.1	87.7	165.3	-68.9	-174.5	179.4	-178.4	0	111
328	G	35.8	Very low	49	Very low	65 Å²	65	112 Å²	112	67%	0.67	60%	0.602	S	S	*	*			trans	-156.4	51.7	-172.7	0	0	0	0	0	114.8	S326	S326-G328 VanDerWaalsContact C-N 3.34Å; S326-G328 PolarHBondContact O-N 3.19Å
329	G	37.3	Very low	46.9	Very low	66 Å²	66	120.9 Å²	120.9	68%	0.68	63%	0.627	S	S	*	*	S	Bend	trans	154.3	159.6	175.5	0	0	0	0	0	112.8
330	P	35.2	Very low	44.2	Very low	135 Å²	135	123.8 Å²	123.8	88%	0.877	65%	0.651	S	S	*	*	S	Bend	trans	-72.1	141.7	177.8	29.6	-34	0	0	0	112.5	F332	P330-F332 PolarHBondContact O-N 2.95Å; P330-F332 VanDerWaalsContact O-N 3.15Å
331	E	33.7	Very low	41.8	Very low	149 Å²	149	132.3 Å²	132.3	70%	0.696	69%	0.691	S	S	*	*			trans	-9.2	89.4	-179.3	-60.5	-165.2	161.2	0	0	118.9	K333	E331-K333 PolarHBondContact O-N 2.97Å; E331-K333 VanDerWaalsContact O-N 3.11Å; E331-K333 WeakPolarHBondContact OE2-CE 3.37Å; E331-K333 IonicContact OE2-NZ 3.69Å; E331-K333 PolarHBondContact OE2-NZ 3.38Å
332	F	38.6	Very low	39.7	Very low	139 Å²	139	135.3 Å²	135.3	61%	0.61	71%	0.71	S	S	*	*			trans	-76	96.4	157	-156.3	-94.6	0	0	0	109.4	P330 L334	P330-F332 PolarHBondContact O-N 2.95Å; P330-F332 VanDerWaalsContact O-N 3.15Å; F332-L334 PolarHBondContact O-N 2.85Å
333	K	32.1	Very low	37.8	Very low	165 Å²	165	137 Å²	137	72%	0.717	72%	0.721	S	S	*	*			trans	-72.7	76.2	176.4	-82.1	177.9	168.1	116.1	0	111.2	E331 Q335	E331-K333 PolarHBondContact O-N 2.97Å; E331-K333 VanDerWaalsContact O-N 3.11Å; E331-K333 WeakPolarHBondContact OE2-CE 3.37Å; E331-K333 IonicContact OE2-NZ 3.69Å; E331-K333 PolarHBondContact OE2-NZ 3.38Å; K333-Q335 PolarHBondContact O-N 2.85Å; K333-Q335 VanDerWaalsContact O-N 3.13Å
334	L	38.7	Very low	35.8	Very low	116 Å²	116	138.2 Å²	138.2	61%	0.607	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-55.4	116.3	165.5	-152.2	149.4	0	0	0	107.6	F332 K336	F332-L334 PolarHBondContact O-N 2.85Å; L334-K336 PolarHBondContact O-N 3.09Å
335	Q	33.4	Very low	34.4	Very low	182 Å²	182	142.1 Å²	142.1	85%	0.85	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-59.7	116.5	-175.4	-100.7	-175.1	-4.6	0	0	108.6	K333 L337	K333-Q335 PolarHBondContact O-N 2.85Å; K333-Q335 VanDerWaalsContact O-N 3.13Å; Q335-L337 PolarHBondContact O-N 2.85Å
336	K	30.9	Very low	33.8	Very low	195 Å²	195	146.4 Å²	146.4	85%	0.848	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-48.9	117.1	-174.7	-75	-174.7	174.5	-176.3	0	110.3	L334 K338	L334-K336 PolarHBondContact O-N 3.09Å; K336-K338 PolarHBondContact O-N 2.79Å
337	L	33.7	Very low	32.6	Very low	152 Å²	152	151.4 Å²	151.4	80%	0.796	79%	0.791	S	S	*	*			trans	-52.5	112.9	157.5	-108.6	77.6	0	0	0	106.9	Q335 R339	Q335-L337 PolarHBondContact O-N 2.85Å; L337-R339 PolarHBondContact O-N 3.22Å
338	K	30	Very low	32.7	Very low	206 Å²	206	148.6 Å²	148.6	90%	0.896	79%	0.785	S	S	*	*			trans	-73.8	69.1	170.6	-80.8	-170.5	173	-176	0	109.1	K336 S340	K336-K338 PolarHBondContact O-N 2.79Å; K338-S340 PolarHBondContact O-N 3.35Å
339	R	36	Very low	32.6	Very low	231 Å²	231	148.8 Å²	148.8	87%	0.872	79%	0.787	S	S	*	*			trans	-67.4	102.2	162.9	-147.3	174.1	-169.5	172.4	3.3	105.7	L337 Q341	L337-R339 PolarHBondContact O-N 3.22Å; R339-Q341 PolarHBondContact O-N 3.12Å
340	S	25.3	Very low	32.2	Very low	109 Å²	109	152.4 Å²	152.4	76%	0.762	79%	0.791	S	S	*	*			trans	-60.2	135.3	-177.6	-167.2	0	0	0	0	109.2	K338 N342	K338-S340 PolarHBondContact O-N 3.35Å; S340-N342 PolarHBondContact O-N 3.15Å
341	Q	33.1	Very low	32.1	Very low	183 Å²	183	155.5 Å²	155.5	86%	0.855	79%	0.793	S	S	*	*			trans	-67	127.6	164.1	-69.9	174.4	-51.9	0	0	108.1	R339	R339-Q341 PolarHBondContact O-N 3.12Å
342	N	26.2	Very low	32	Very low	165 Å²	165	154.4 Å²	154.4	88%	0.882	79%	0.792	S	S	*	*			trans	-167	131.3	142.8	-97.5	-16.2	0	0	0	108.1	S340	S340-N342 PolarHBondContact O-N 3.15Å
343	S	29.9	Very low	32.1	Very low	125 Å²	125	154.4 Å²	154.4	87%	0.874	79%	0.794	S	S	*	*			trans	-105.6	99.5	-176	52.2	0	0	0	0	110.4
344	A	27	Very low	32.8	Very low	95 Å²	95	154 Å²	154	79%	0.785	80%	0.798	S	S	*	*			trans	-153.3	121.9	167.1	0	0	0	0	0	111.5
345	F	26.4	Very low	33.7	Very low	187 Å²	187	155.2 Å²	155.2	82%	0.82	80%	0.801	S	S	*	*			trans	35.1	116	134.3	-156.2	-101.6	0	0	0	120.1
346	L	39.7	Very low	35.4	Very low	133 Å²	133	148 Å²	148	70%	0.696	77%	0.768	S	S	*	*			trans	30.2	112.5	152.8	-63.1	177.3	0	0	0	119.2
347	D	23.9	Very low	37.4	Very low	164 Å²	164	140.8 Å²	140.8	88%	0.877	74%	0.742	S	S	*	*			trans	-138.7	152.4	134.5	-155.8	-6.6	0	0	0	109.8
348	I	40.8	Very low	39.4	Very low	158 Å²	158	137.5 Å²	137.5	81%	0.81	72%	0.721	S	S	*	*			trans	-122.3	98	-175.7	-61	176.8	0	0	0	109
349	G	33.3	Very low	41.3	Very low	69 Å²	69	131.6 Å²	131.6	71%	0.711	71%	0.706	S	S	*	*			trans	146	90.8	167.4	0	0	0	0	0	114.9
350	D	28.8	Very low	43	Very low	143 Å²	143	124.4 Å²	124.4	77%	0.765	69%	0.685	S	S	*	*				-170	121.6	110.2	-124.2	4.7	0	0	0	111.1	N352	D350-N352 PolarHBondContact O-N 3.35Å; D350-N352 PolarHBondContact OD2-ND2 3.45Å; D350-N352 VanDerWaalsContact OD2-ND2 3.17Å
351	E	32.6	Very low	45.4	Very low	199 Å²	199	119.2 Å²	119.2	93%	0.93	65%	0.649	S	S	*	*			trans	-80.2	71.5	171.2	-73.9	-166.5	163.3	0	0	110.9
352	N	31.7	Very low	47.6	Very low	126 Å²	126	112.9 Å²	112.9	67%	0.674	62%	0.623	S	S	*	*			trans	-90.3	100.5	161.4	-78.5	-77.7	0	0	0	108.9	D350 I354	D350-N352 PolarHBondContact O-N 3.35Å; D350-N352 PolarHBondContact OD2-ND2 3.45Å; D350-N352 VanDerWaalsContact OD2-ND2 3.17Å; N352-I354 PolarHBondContact O-N 2.88Å
353	E	40.7	Very low	50.3	Low	140 Å²	140	105.4 Å²	105.4	65%	0.654	58%	0.582	S	S	*	*			trans	-44.9	132.4	170.5	-71.6	-176.1	140.5	0	0	110.4	Q355	E353-Q355 HydrophobicContact CB-CG 3.97Å; E353-Q355 PolarHBondContact O-N 2.91Å; E353-Q355 PolarHBondContact OE2-NE2 3.45Å
354	I	47	Very low	52.9	Low	155 Å²	155	102.1 Å²	102.1	80%	0.795	56%	0.56	S	S	*	*			trans	-74.5	80.1	172.1	-55.6	178.7	0	0	0	108	N352 L356	N352-I354 PolarHBondContact O-N 2.88Å; I354-L356 PolarHBondContact O-N 3.11Å; I354-L356 VanDerWaalsContact O-N 3.13Å
355	Q	58.2	Low	55.7	Low	142 Å²	142	97.8 Å²	97.8	66%	0.664	52%	0.523	S	S	*	.			trans	-69.5	110.7	-178.6	-67.6	-168.1	-6.2	0	0	110.2	E353 S357	E353-Q355 HydrophobicContact CB-CG 3.97Å; E353-Q355 PolarHBondContact O-N 2.91Å; E353-Q355 PolarHBondContact OE2-NE2 3.45Å; Q355-S357 PolarHBondContact O-N 2.93Å
356	L	67.5	Low	58.6	Low	31 Å²	31	92.4 Å²	92.4	16%	0.162	51%	0.505	C	S	.	.			trans	-45.2	127	176.3	-75.9	-176.9	0	0	0	112	I354 D360 V515 T519 A521 Q537	I354-L356 PolarHBondContact O-N 3.11Å; I354-L356 VanDerWaalsContact O-N 3.13Å; L356-D360 HydrophobicContact CD2-CB 4.31Å; L356-V515 HydrophobicContact CD1-CB 4.27Å; L356-V515 HydrophobicContact CD1-CG1 4.41Å; L356-V515 HydrophobicContact CD1-CG2 3.88Å; L356-V515 HydrophobicContact CD2-CB 4.46Å; L356-V515 HydrophobicContact CD2-CG1 3.83Å; L356-T519 HydrophobicContact CD1-CG2 3.65Å; L356-T519 HydrophobicContact CD2-CG2 4.36Å; L356-T519 HydrophobicContact CG-CG2 4.09Å; L356-A521 HydrophobicContact CD1-CB 4.18Å; L356-Q537 HydrophobicContact CD1-CG 4.19Å; L356-Q537 HydrophobicContact CG-CG 4.5Å; L356-Q537 VanDerWaalsContact N-NE2 3.19Å
357	S	73.4	Confident	61	Low	44 Å²	44	86.1 Å²	86.1	31%	0.308	47%	0.473	S	S	.	.			trans	-77.5	160.2	174.8	79.4	0	0	0	0	110.8	Q355 S359 D360	Q355-S357 PolarHBondContact O-N 2.93Å; S357-S359 PolarHBondContact O-N 2.94Å; S357-S359 PolarHBondContact OG-N 2.93Å; S357-S359 PolarHBondContact OG-OG 3.44Å; S357-D360 WeakPolarHBondContact CA-OD2 3.14Å; S357-D360 VanDerWaalsContact CB-OD2 3.26Å; S357-D360 WeakPolarHBondContact CB-OD2 3.15Å; S357-D360 PolarHBondContact N-OD2 3.47Å; S357-D360 PolarHBondContact O-N 3.47Å; S357-D360 PolarHBondContact OG-N 2.94Å; S357-D360 PolarHBondContact OG-OD1 3.48Å; S357-D360 PolarHBondContact OG-OD2 2.83Å
358	K	75.1	Confident	64.1	Low	82 Å²	82	80.1 Å²	80.1	36%	0.357	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21	176	-67.9	-171.8	168.7	-152.3	0	113.6	V361 E531 P532 Q533 L535	K358-V361 VanDerWaalsContact O-CG2 3.31Å; K358-V361 WeakPolarHBondContact O-CG2 3.12Å; K358-E531 HydrophobicContact CB-CG 4.4Å; K358-P532 WeakPolarHBondContact CE-O 3.1Å; K358-P532 PolarHBondContact NZ-O 3.33Å; K358-Q533 PolarHBondContact NZ-O 3.28Å; K358-L535 HydrophobicContact CG-CD2 4.29Å
359	S	71.3	Confident	66.4	Low	82 Å²	82	72.6 Å²	72.6	57%	0.573	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-33.5	173.4	14.5	0	0	0	0	112.8	S357 V361 V362	S357-S359 PolarHBondContact O-N 2.94Å; S357-S359 PolarHBondContact OG-N 2.93Å; S357-S359 PolarHBondContact OG-OG 3.44Å; S359-V361 PolarHBondContact O-N 3.48Å; S359-V361 VanDerWaalsContact O-N 3.15Å; S359-V362 PolarHBondContact O-N 2.89Å
360	D	71.1	Confident	69.1	Low	80 Å²	80	70.8 Å²	70.8	43%	0.428	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-10.5	-174.7	-52.5	-43.1	0	0	0	113.3	L356 S357 V515	L356-D360 HydrophobicContact CD2-CB 4.31Å; S357-D360 WeakPolarHBondContact CA-OD2 3.14Å; S357-D360 VanDerWaalsContact CB-OD2 3.26Å; S357-D360 WeakPolarHBondContact CB-OD2 3.15Å; S357-D360 PolarHBondContact N-OD2 3.47Å; S357-D360 PolarHBondContact O-N 3.47Å; S357-D360 PolarHBondContact OG-N 2.94Å; S357-D360 PolarHBondContact OG-OD1 3.48Å; S357-D360 PolarHBondContact OG-OD2 2.83Å; D360-V515 HydrophobicContact CB-CG1 3.89Å; D360-V515 WeakPolarHBondContact O-CG1 3.43Å
361	V	75.6	Confident	72	Confident	1 Å²	1	64 Å²	64	1%	0.006	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	17.1	-177.3	-71.7	0	0	0	0	112.9	K358 S359 L363 V513 V515 A521 Y525 P532 L535	K358-V361 VanDerWaalsContact O-CG2 3.31Å; K358-V361 WeakPolarHBondContact O-CG2 3.12Å; S359-V361 PolarHBondContact O-N 3.48Å; S359-V361 VanDerWaalsContact O-N 3.15Å; V361-L363 PolarHBondContact O-N 3.35Å; V361-V513 HydrophobicContact CB-CG1 4.47Å; V361-V513 HydrophobicContact CG1-CB 4.43Å; V361-V513 HydrophobicContact CG1-CG1 4.23Å; V361-V515 HydrophobicContact CG1-CG2 3.48Å; V361-V515 VanDerWaalsContact CG1-CG2 3.48Å; V361-A521 HydrophobicContact CG1-CB 3.94Å; V361-Y525 PolarHBondContact O-OH 3.19Å; V361-P532 HydrophobicContact CG2-CG 3.62Å; V361-L535 HydrophobicContact CG2-CD2 3.93Å
362	V	80.4	Confident	74.7	Confident	50 Å²	50	58 Å²	58	30%	0.303	31%	0.313	S	S	.	.			trans	-75.5	121.3	171.3	177.7	0	0	0	0	109.5	S359 T418	S359-V362 PolarHBondContact O-N 2.89Å; V362-T418 HydrophobicContact CG1-CG2 4.23Å
363	L	82.4	Confident	77.5	Confident	7 Å²	7	53.6 Å²	53.6	4%	0.037	29%	0.288	C	S	.	.			trans	-94.1	157.1	177.1	-66.9	172.5	0	0	0	110.6	V361 F365 T418 P420 P485 H487 M488 V511 V513	V361-L363 PolarHBondContact O-N 3.35Å; L363-F365 HydrophobicContact CB-CD2 4.31Å; L363-F365 HydrophobicContact CB-CE2 3.46Å; L363-F365 VanDerWaalsContact CB-CE2 3.46Å; L363-F365 HydrophobicContact CB-CZ 3.68Å; L363-F365 HydrophobicContact CD1-CE2 4.34Å; L363-F365 HydrophobicContact CD1-CZ 3.73Å; L363-F365 HydrophobicContact CG-CZ 4.38Å; L363-T418 CarbonylContact O-C 3.54Å; L363-T418 WeakPolarHBondContact O-CA 3.1Å; L363-T418 WeakPolarHBondContact O-CB 3.31Å; L363-P420 HydrophobicContact CD1-CG 4.47Å; L363-P485 HydrophobicContact CD2-CB 4.49Å; L363-H487 HydrophobicContact CD2-CB 3.95Å; L363-M488 HydrophobicContact CD1-CB 4.07Å; L363-M488 HydrophobicContact CD1-CG 4.22Å; L363-M488 HydrophobicContact CD1-SD 3.9Å; L363-M488 HydrophobicContact CD2-CB 4.37Å; L363-V511 HydrophobicContact CD1-CG1 3.94Å; L363-V513 HydrophobicContact CD1-CG2 4.21Å; L363-V513 HydrophobicContact CD2-CG1 4.2Å
364	S	83.8	Confident	79.9	Confident	57 Å²	57	47.4 Å²	47.4	40%	0.399	26%	0.259	S	S	.	.			trans	-125.1	134	171.5	-175.3	0	0	0	0	109.7	T417 P485	S364-T417 WeakPolarHBondContact CA-O 3.31Å; S364-P485 WeakPolarHBondContact O-CG 3.24Å
365	F	86.8	Confident	81.8	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.013	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.8	-172	-55.5	-100.7	0	0	0	111	L363 L367 T416 T417 P420 M482 P485 M488	L363-F365 HydrophobicContact CB-CD2 4.31Å; L363-F365 HydrophobicContact CB-CE2 3.46Å; L363-F365 VanDerWaalsContact CB-CE2 3.46Å; L363-F365 HydrophobicContact CB-CZ 3.68Å; L363-F365 HydrophobicContact CD1-CE2 4.34Å; L363-F365 HydrophobicContact CD1-CZ 3.73Å; L363-F365 HydrophobicContact CG-CZ 4.38Å; F365-L367 HydrophobicContact CB-CD1 4.22Å; F365-T416 WeakPolarHBondContact O-CA 3.11Å; F365-T417 HydrophobicContact CB-CG2 3.86Å; F365-T417 HydrophobicContact CD2-CG2 4.31Å; F365-T417 HydrophobicContact CG-CG2 4.45Å; F365-T417 PolarHBondContact N-O 2.69Å; F365-T417 PolarHBondContact O-N 3.1Å; F365-P420 HydrophobicContact CE2-CB 4.07Å; F365-P420 HydrophobicContact CE2-CG 3.84Å; F365-P420 HydrophobicContact CZ-CB 3.74Å; F365-P420 HydrophobicContact CZ-CG 3.86Å; F365-M482 HydrophobicContact CB-CE 4.03Å; F365-M482 HydrophobicContact CD1-CE 3.34Å; F365-M482 HydrophobicContact CD1-CG 4.33Å; F365-M482 HydrophobicContact CD2-CE 4.07Å; F365-M482 HydrophobicContact CE1-CE 3.66Å; F365-M482 HydrophobicContact CE2-CE 4.36Å; F365-M482 HydrophobicContact CG-CE 3.57Å; F365-M482 HydrophobicContact CZ-CE 4.18Å; F365-P485 HydrophobicContact CD1-CG 3.48Å; F365-P485 VanDerWaalsContact CD1-CG 3.48Å; F365-P485 VanDerWaalsContact CE1-CD 3.49Å; F365-P485 HydrophobicContact CE1-CG 3.61Å; F365-P485 HydrophobicContact CG-CG 3.99Å; F365-P485 HydrophobicContact CZ-CG 4.18Å; F365-M488 HydrophobicContact CE1-CE 4.28Å; F365-M488 HydrophobicContact CE1-SD 3.47Å; F365-M488 WeakPolarHBondContact CE1-SD 3.4Å; F365-M488 HydrophobicContact CZ-SD 3.86Å
366	T	87.4	Confident	82.9	Confident	74 Å²	74	38.9 Å²	38.9	45%	0.454	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.4	163	43.6	0	0	0	0	110.2	T416 M482 D483	T366-T416 HydrophobicContact CG2-CG2 4.44Å; T366-M482 WeakPolarHBondContact O-CA 3.44Å; T366-D483 PolarHBondContact O-N 3.06Å; T366-D483 PolarHBondContact OG1-OD2 3.44Å
367	L	88.4	Confident	83.6	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.9	169.2	-80.9	82.9	0	0	0	110.3	F365 D414 F415 T417 P422 V424 P450 V480 R481 M482	F365-L367 HydrophobicContact CB-CD1 4.22Å; L367-D414 CarbonylContact O-C 3.48Å; L367-D414 WeakPolarHBondContact O-CA 3.28Å; L367-F415 HydrophobicContact CB-CB 4.44Å; L367-F415 PolarHBondContact N-O 3.41Å; L367-F415 PolarHBondContact O-N 3.24Å; L367-T417 HydrophobicContact CD1-CG2 3.37Å; L367-P422 HydrophobicContact CD1-CG 4.33Å; L367-P422 HydrophobicContact CD2-CG 3.9Å; L367-V424 HydrophobicContact CD2-CG2 3.93Å; L367-P450 HydrophobicContact CD2-CG 3.65Å; L367-V480 HydrophobicContact CD2-CG1 4.29Å; L367-R481 CarbonylContact C-O 3.48Å; L367-R481 VanDerWaalsContact CA-O 3.25Å; L367-R481 WeakPolarHBondContact CA-O 3.37Å; L367-M482 HydrophobicContact CD1-CB 4.45Å; L367-M482 HydrophobicContact CD1-CG 3.88Å; L367-M482 HydrophobicContact CD1-SD 4.34Å; L367-M482 HydrophobicContact CG-CB 4.01Å; L367-M482 HydrophobicContact CG-CG 4Å
368	E	88.8	Confident	83.9	Confident	38 Å²	38	44.2 Å²	44.2	18%	0.178	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.1	171.2	174.6	-157.3	157	0	0	107.4	V370 Q412 R481	E368-V370 HydrophobicContact CG-CG2 4.08Å; E368-V370 WeakPolarHBondContact OE1-CG2 3.41Å; E368-Q412 HydrophobicContact CG-CG 3.95Å; E368-R481 HydrophobicContact CB-CB 4.25Å; E368-R481 PolarHBondContact N-O 2.88Å; E368-R481 PolarHBondContact O-N 3.45Å; E368-R481 IonicContact OE1-CZ 2.71Å; E368-R481 IonicContact OE1-NE 3.67Å; E368-R481 IonicContact OE1-NH1 3.58Å; E368-R481 PolarHBondContact OE1-NH1 2.56Å; E368-R481 WeakPolarHBondContact OE2-CD 3.48Å; E368-R481 IonicContact OE2-CZ 2.74Å; E368-R481 IonicContact OE2-NE 3.25Å; E368-R481 IonicContact OE2-NH1 2.68Å; E368-R481 PolarHBondContact OE2-NH1 3.11Å
369	I	90.2	Very high	83.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.5	175.9	-60.1	164	0	0	0	108.6	M390 V392 Q412 G413 F415 V424 A479 V480	I369-M390 HydrophobicContact CB-SD 3.86Å; I369-M390 HydrophobicContact CG2-CG 4.02Å; I369-M390 HydrophobicContact CG2-SD 3.54Å; I369-M390 VanDerWaalsContact CG2-SD 3.54Å; I369-V392 HydrophobicContact CD1-CG2 3.64Å; I369-Q412 CarbonylContact O-C 3.57Å; I369-Q412 WeakPolarHBondContact O-CA 3.33Å; I369-G413 PolarHBondContact N-O 3.49Å; I369-G413 PolarHBondContact O-N 3.07Å; I369-F415 HydrophobicContact CD1-CD2 3.8Å; I369-F415 HydrophobicContact CD1-CE2 3.73Å; I369-F415 HydrophobicContact CG1-CD2 4.49Å; I369-V424 HydrophobicContact CD1-CB 4.34Å; I369-V424 HydrophobicContact CD1-CG1 3.47Å; I369-V424 VanDerWaalsContact CD1-CG1 3.47Å; I369-V424 HydrophobicContact CD1-CG2 3.9Å; I369-V424 HydrophobicContact CG1-CG1 4.36Å; I369-A479 WeakPolarHBondContact CA-O 3.28Å; I369-V480 HydrophobicContact CG1-CG1 4.04Å; I369-V480 HydrophobicContact CG1-CG2 4.26Å; I369-V480 HydrophobicContact CG2-CG2 4.4Å
370	V	89.6	Confident	84.2	Confident	30 Å²	30	39 Å²	39	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	116.6	178.9	-175.7	0	0	0	0	109.4	E368 Q412 L478 A479	E368-V370 HydrophobicContact CG-CG2 4.08Å; E368-V370 WeakPolarHBondContact OE1-CG2 3.41Å; V370-Q412 HydrophobicContact CG2-CB 4.11Å; V370-Q412 HydrophobicContact CG2-CG 4.07Å; V370-L478 CarbonylContact O-C 3.59Å; V370-L478 WeakPolarHBondContact O-CA 3.47Å; V370-L478 VanDerWaalsContact O-CB 3.3Å; V370-L478 WeakPolarHBondContact O-CB 3.37Å; V370-A479 PolarHBondContact N-O 3.48Å; V370-A479 PolarHBondContact O-N 3.16Å
371	I	90.3	Very high	84.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126	175.9	-64.5	175.7	0	0	0	109	C388 M390 T399 W409 T411 V426 I476 L478	I371-C388 HydrophobicContact CD1-CB 3.66Å; I371-C388 HydrophobicContact CG2-CB 4.44Å; I371-M390 HydrophobicContact CD1-CG 3.49Å; I371-M390 VanDerWaalsContact CD1-CG 3.49Å; I371-M390 HydrophobicContact CD1-SD 3.88Å; I371-M390 HydrophobicContact CG1-CG 4.27Å; I371-M390 HydrophobicContact CG1-SD 4.13Å; I371-T399 HydrophobicContact CB-CG2 4.27Å; I371-T399 HydrophobicContact CD1-CG2 3.82Å; I371-W409 HydrophobicContact CG2-CB 4.43Å; I371-W409 HydrophobicContact CG2-CD2 4.39Å; I371-W409 HydrophobicContact CG2-CE3 3.85Å; I371-W409 CarbonylContact O-C 3.5Å; I371-T411 PolarHBondContact N-O 2.85Å; I371-V426 HydrophobicContact CD1-CG1 3.48Å; I371-V426 VanDerWaalsContact CD1-CG1 3.48Å; I371-V426 HydrophobicContact CD1-CG2 4.33Å; I371-V426 HydrophobicContact CG1-CG1 4.39Å; I371-I476 HydrophobicContact CG2-CD1 4.09Å; I371-I476 HydrophobicContact CG2-CG1 4.44Å; I371-L478 HydrophobicContact CG1-CB 4.31Å
372	M	89.6	Confident	84.5	Confident	75 Å²	75	41.6 Å²	41.6	37%	0.369	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-50.1	-176.1	-55.6	-164.9	84.8	0	0	113.4	Q408 W409 A458 K477	M372-Q408 CarbonylContact O-C 3.5Å; M372-Q408 WeakPolarHBondContact O-CA 3.27Å; M372-W409 WeakPolarHBondContact CA-O 3.35Å; M372-W409 PolarHBondContact O-N 3.39Å; M372-W409 VanDerWaalsContact O-O 3.06Å; M372-A458 HydrophobicContact CG-CB 4.25Å; M372-A458 HydrophobicContact SD-CB 3.34Å; M372-A458 WeakPolarHBondContact SD-CB 3.33Å; M372-K477 HydrophobicContact CB-CB 4.35Å; M372-K477 HydrophobicContact CB-CD 4.29Å; M372-K477 HydrophobicContact CB-CG 4.23Å; M372-K477 WeakPolarHBondContact CB-O 2.9Å; M372-K477 PolarHBondContact N-O 3.18Å; M372-K477 HydrophobicContact SD-CD 4.13Å; M372-K477 HydrophobicContact SD-CG 4.26Å
373	E	90.4	Very high	84.5	Confident	33 Å²	33	45.6 Å²	45.6	15%	0.154	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	158.5	-175.9	56.2	179.3	-165.5	0	0	112.9	Q375 P407 Q408 I476 K477	E373-Q375 PolarHBondContact OE1-NE2 3.2Å; E373-P407 CarbonylContact C-O 3.52Å; E373-P407 VanDerWaalsContact CA-O 3.29Å; E373-P407 WeakPolarHBondContact CA-O 3.04Å; E373-Q408 HydrophobicContact CB-CB 4.38Å; E373-Q408 HydrophobicContact CB-CG 3.9Å; E373-Q408 PolarHBondContact OE2-NE2 3.42Å; E373-I476 CarbonylContact O-C 3.51Å; E373-I476 WeakPolarHBondContact O-CA 3.46Å; E373-K477 HydrophobicContact CG-CB 3.66Å; E373-K477 HydrophobicContact CG-CD 3.94Å; E373-K477 HydrophobicContact CG-CG 4.44Å; E373-K477 PolarHBondContact N-O 2.77Å; E373-K477 PolarHBondContact O-N 3.32Å
374	V	89.9	Confident	84.6	Confident	9 Å²	9	49.4 Å²	49.4	6%	0.055	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.4	166	160.5	0	0	0	0	109.9	L377 P407 W409 L428 M463 L474 K475 I476	V374-L377 HydrophobicContact CG1-CB 4.29Å; V374-P407 HydrophobicContact CB-CB 4.25Å; V374-P407 HydrophobicContact CB-CG 4.07Å; V374-P407 HydrophobicContact CG1-CG 4.33Å; V374-P407 PolarHBondContact N-O 2.98Å; V374-W409 HydrophobicContact CB-CZ3 4.1Å; V374-W409 HydrophobicContact CG2-CH2 4.31Å; V374-W409 HydrophobicContact CG2-CZ3 3.83Å; V374-L428 HydrophobicContact CG1-CD2 4Å; V374-L428 HydrophobicContact CG2-CD1 4.3Å; V374-L428 HydrophobicContact CG2-CD2 4.21Å; V374-M463 HydrophobicContact CG2-SD 4.35Å; V374-L474 HydrophobicContact CG1-CD1 3.61Å; V374-L474 HydrophobicContact CG1-CG 4.44Å; V374-K475 CarbonylContact C-O 3.56Å; V374-K475 WeakPolarHBondContact CA-O 3.32Å; V374-I476 HydrophobicContact CG2-CB 3.98Å; V374-I476 HydrophobicContact CG2-CD1 4.06Å; V374-I476 HydrophobicContact CG2-CG1 3.83Å
375	Q	86.8	Confident	84.8	Confident	77 Å²	77	49.1 Å²	49.1	36%	0.36	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.6	178.2	-60.1	-176.1	1	0	0	109.9	E373 L460 K475	E373-Q375 PolarHBondContact OE1-NE2 3.2Å; Q375-L460 HydrophobicContact CG-CD2 4.39Å; Q375-K475 HydrophobicContact CB-CB 4.45Å; Q375-K475 PolarHBondContact N-O 2.93Å; Q375-K475 PolarHBondContact O-N 3.43Å
376	G	81.6	Confident	84.9	Confident	41 Å²	41	49 Å²	49	42%	0.423	27%	0.269	S	S	.	.			trans	87.5	9.9	174.2	0	0	0	0	0	116.4
377	L	83.2	Confident	85.1	Confident	27 Å²	27	46.3 Å²	46.3	14%	0.141	25%	0.251	C	S	.	.			trans	-68.9	127.6	173.5	-179.7	63.6	0	0	0	111.4	V374 V380 V386 A404 L443 L474	V374-L377 HydrophobicContact CG1-CB 4.29Å; L377-V380 HydrophobicContact CD1-CB 4.4Å; L377-V380 HydrophobicContact CD1-CG2 4.25Å; L377-V386 HydrophobicContact CD2-CG1 4.17Å; L377-A404 HydrophobicContact CD2-CB 3.94Å; L377-L443 HydrophobicContact CD1-CD1 3.91Å; L377-L474 HydrophobicContact CB-CD1 3.94Å; L377-L474 HydrophobicContact CD1-CD1 4.35Å
378	K	78.4	Confident	85.2	Confident	161 Å²	161	46.2 Å²	46.2	70%	0.7	25%	0.25	S	S	*	.			trans	-143.1	-22.3	-179	-59.4	-178.7	-175.2	179	0	114	V380 D471	K378-V380 PolarHBondContact O-N 3.05Å; K378-V380 VanDerWaalsContact O-N 3.09Å; K378-D471 VanDerWaalsContact CA-OD1 3.31Å; K378-D471 WeakPolarHBondContact CA-OD1 3.5Å; K378-D471 WeakPolarHBondContact CB-OD1 3.49Å; K378-D471 PolarHBondContact N-OD1 3.34Å
379	S	73.2	Confident	85.3	Confident	32 Å²	32	44.4 Å²	44.4	22%	0.224	24%	0.242	C	C	.	.	S	Bend	trans	-73	4.6	-176.8	71.8	0	0	0	0	115.4	S469 D471	S379-S469 PolarHBondContact OG-OG 2.99Å; S379-D471 WeakPolarHBondContact CB-OD2 3.49Å; S379-D471 PolarHBondContact N-OD1 2.79Å; S379-D471 PolarHBondContact OG-OD2 3.37Å
380	V	80	Confident	85.4	Confident	23 Å²	23	44.4 Å²	44.4	14%	0.139	24%	0.242	C	C	.	.	S	Bend	trans	-134.4	138.9	-172	175.4	0	0	0	0	109	L377 K378 R384 A404 T430 L443	L377-V380 HydrophobicContact CD1-CB 4.4Å; L377-V380 HydrophobicContact CD1-CG2 4.25Å; K378-V380 PolarHBondContact O-N 3.05Å; K378-V380 VanDerWaalsContact O-N 3.09Å; V380-R384 HydrophobicContact CG1-CB 3.4Å; V380-R384 VanDerWaalsContact CG1-CB 3.4Å; V380-R384 HydrophobicContact CG1-CG 3.76Å; V380-A404 HydrophobicContact CB-CB 4.45Å; V380-A404 HydrophobicContact CG1-CB 3.82Å; V380-T430 HydrophobicContact CG2-CG2 4.21Å; V380-L443 HydrophobicContact CG2-CD1 3.84Å; V380-L443 HydrophobicContact CG2-CD2 3.66Å; V380-L443 HydrophobicContact CG2-CG 4.42Å
381	A	76.8	Confident	85.4	Confident	47 Å²	47	44.4 Å²	44.4	39%	0.388	24%	0.24	S	C	.	.			trans	-65.9	143.5	-179.7	0	0	0	0	0	111.5	N383 R384	A381-N383 PolarHBondContact O-N 2.74Å; A381-R384 HydrophobicContact CB-CG 4.18Å; A381-R384 WeakPolarHBondContact O-CB 3.41Å; A381-R384 PolarHBondContact O-N 3Å
382	P	76	Confident	85.3	Confident	87 Å²	87	44.7 Å²	44.7	57%	0.565	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.8	-170.3	-27.8	35.4	0	0	0	115.4	R384 S405	P382-R384 VanDerWaalsContact C-N 3.33Å; P382-R384 PolarHBondContact O-N 3.33Å; P382-S405 WeakPolarHBondContact O-CB 3.4Å; P382-S405 PolarHBondContact O-N 3.08Å
383	N	80.8	Confident	84.8	Confident	134 Å²	134	44.9 Å²	44.9	72%	0.717	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	11.4	-178.6	70.1	-41.7	0	0	0	114.3	A381	A381-N383 PolarHBondContact O-N 2.74Å
384	R	85.4	Confident	84.2	Confident	87 Å²	87	46.3 Å²	46.3	33%	0.328	27%	0.266	S	S	.	.	S	Bend	trans	-85.4	147.5	174.2	-77.4	-89	170.9	179.1	-13.5	110.8	V380 A381 P382 A404 E431 T433	V380-R384 HydrophobicContact CG1-CB 3.4Å; V380-R384 VanDerWaalsContact CG1-CB 3.4Å; V380-R384 HydrophobicContact CG1-CG 3.76Å; A381-R384 HydrophobicContact CB-CG 4.18Å; A381-R384 WeakPolarHBondContact O-CB 3.41Å; A381-R384 PolarHBondContact O-N 3Å; P382-R384 VanDerWaalsContact C-N 3.33Å; P382-R384 PolarHBondContact O-N 3.33Å; R384-A404 HydrophobicContact CB-CB 4.4Å; R384-A404 WeakPolarHBondContact O-CB 3.43Å; R384-A404 PolarHBondContact O-N 2.82Å; R384-E431 PolarHBondContact NH1-O 2.99Å; R384-T433 VanDerWaalsContact CZ-OG1 3.29Å; R384-T433 PolarHBondContact NH1-OG1 2.95Å; R384-T433 PolarHBondContact NH2-OG1 3.15Å
385	I	86.1	Confident	83.8	Confident	51 Å²	51	50.7 Å²	50.7	26%	0.262	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	138.5	169.6	-66.5	-179.7	0	0	0	110.5	Q401 A402 T430 E431	I385-Q401 HydrophobicContact CG2-CB 3.58Å; I385-Q401 HydrophobicContact CG2-CG 3.6Å; I385-A402 WeakPolarHBondContact CA-O 3.44Å; I385-T430 WeakPolarHBondContact O-CA 3.18Å; I385-T430 PolarHBondContact O-OG1 3.19Å; I385-E431 HydrophobicContact CB-CB 4.26Å; I385-E431 HydrophobicContact CG2-CB 4.49Å; I385-E431 PolarHBondContact O-N 3.04Å
386	V	90.1	Very high	83.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151.6	170.1	-67.7	0	0	0	0	110.5	L377 A402 A404 P407 W409 L428 F429 L443	L377-V386 HydrophobicContact CD2-CG1 4.17Å; V386-A402 WeakPolarHBondContact CG2-O 3.45Å; V386-A402 PolarHBondContact N-O 3.03Å; V386-A402 PolarHBondContact O-N 3.32Å; V386-A404 HydrophobicContact CG1-CB 4.18Å; V386-P407 HydrophobicContact CG2-CB 3.88Å; V386-W409 HydrophobicContact CG2-CH2 4.3Å; V386-W409 HydrophobicContact CG2-CZ2 4.17Å; V386-L428 HydrophobicContact CB-CD1 4.2Å; V386-F429 WeakPolarHBondContact CA-O 3.41Å; V386-F429 WeakPolarHBondContact CB-O 3.29Å; V386-L443 HydrophobicContact CG1-CD1 3.97Å
387	Y	90.7	Very high	84.1	Confident	18 Å²	18	53.5 Å²	53.5	7%	0.071	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	156.7	175.1	63.9	-93.7	0	0	0	110.3	T389 Q398 F429 D440	Y387-T389 HydrophobicContact CD2-CG2 3.85Å; Y387-T389 HydrophobicContact CE2-CG2 3.63Å; Y387-Q398 VanDerWaalsContact CD2-CD 3.46Å; Y387-Q398 HydrophobicContact CD2-CG 3.78Å; Y387-Q398 VanDerWaalsContact CE2-CD 3.48Å; Y387-Q398 HydrophobicContact CE2-CG 4.23Å; Y387-Q398 HydrophobicContact CG-CG 4.48Å; Y387-F429 HydrophobicContact CD1-CB 4.4Å; Y387-F429 HydrophobicContact CD2-CB 4.25Å; Y387-F429 HydrophobicContact CE1-CB 3.96Å; Y387-F429 HydrophobicContact CE2-CB 3.79Å; Y387-F429 AromaticContact CE2-CD2 3.93Å; Y387-F429 HydrophobicContact CE2-CD2 3.93Å; Y387-F429 HydrophobicContact CE2-CG 4.09Å; Y387-F429 PolarHBondContact N-O 2.96Å; Y387-F429 VanDerWaalsContact N-O 3.14Å; Y387-F429 PolarHBondContact O-N 3.25Å; Y387-D440 VanDerWaalsContact CE1-OD2 3.27Å; Y387-D440 WeakPolarHBondContact CE1-OD2 3.39Å; Y387-D440 WeakPolarHBondContact OH-CB 3.43Å; Y387-D440 PolarHBondContact OH-OD2 3.3Å
388	C	91.6	Very high	84.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	155	172.9	-68.8	0	0	0	0	111.2	I371 T399 V426 K427	I371-C388 HydrophobicContact CD1-CB 3.66Å; I371-C388 HydrophobicContact CG2-CB 4.44Å; C388-T399 HydrophobicContact CB-CG2 3.77Å; C388-T399 PolarHBondContact N-OG1 2.93Å; C388-T399 PolarHBondContact O-N 3.38Å; C388-T399 PolarHBondContact O-OG1 3.36Å; C388-V426 HydrophobicContact CB-CG1 4.27Å; C388-K427 CarbonylContact C-O 3.55Å; C388-K427 VanDerWaalsContact CA-O 3.25Å; C388-K427 WeakPolarHBondContact CA-O 3.39Å
389	T	90.5	Very high	84.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132	168.8	72.2	0	0	0	0	110.8	Y387 K396 L397 Q398 V426 K427 F429	Y387-T389 HydrophobicContact CD2-CG2 3.85Å; Y387-T389 HydrophobicContact CE2-CG2 3.63Å; T389-K396 VanDerWaalsContact OG1-CE 3.3Å; T389-K396 WeakPolarHBondContact OG1-CE 3.48Å; T389-L397 CarbonylContact C-O 3.55Å; T389-L397 VanDerWaalsContact CA-O 3.25Å; T389-L397 WeakPolarHBondContact CA-O 3.42Å; T389-L397 WeakPolarHBondContact CB-O 3.12Å; T389-Q398 HydrophobicContact CG2-CB 4.16Å; T389-Q398 HydrophobicContact CG2-CG 4.22Å; T389-V426 WeakPolarHBondContact O-CA 3.47Å; T389-K427 PolarHBondContact N-O 2.88Å; T389-K427 PolarHBondContact O-N 3.25Å; T389-F429 HydrophobicContact CG2-CD2 4.06Å; T389-F429 HydrophobicContact CG2-CE2 4.1Å
390	M	91.8	Very high	85.4	Confident	1 Å²	1	53 Å²	53	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.7	177.5	-62.7	170.7	-75.4	0	0	108.4	I369 I371 K396 L397 T399 F415 V426	I369-M390 HydrophobicContact CB-SD 3.86Å; I369-M390 HydrophobicContact CG2-CG 4.02Å; I369-M390 HydrophobicContact CG2-SD 3.54Å; I369-M390 VanDerWaalsContact CG2-SD 3.54Å; I371-M390 HydrophobicContact CD1-CG 3.49Å; I371-M390 VanDerWaalsContact CD1-CG 3.49Å; I371-M390 HydrophobicContact CD1-SD 3.88Å; I371-M390 HydrophobicContact CG1-CG 4.27Å; I371-M390 HydrophobicContact CG1-SD 4.13Å; M390-K396 CarbonylContact O-C 3.15Å; M390-K396 VanDerWaalsContact O-CA 3.3Å; M390-K396 WeakPolarHBondContact O-CA 3.33Å; M390-L397 HydrophobicContact CE-CB 4.06Å; M390-L397 PolarHBondContact N-O 3.33Å; M390-L397 PolarHBondContact O-N 3.04Å; M390-T399 HydrophobicContact CE-CG2 4.42Å; M390-F415 HydrophobicContact CB-CE2 3.99Å; M390-F415 HydrophobicContact CB-CZ 3.75Å; M390-V426 HydrophobicContact CG-CG2 4.19Å
391	E	90.3	Very high	85.7	Confident	30 Å²	30	57 Å²	57	14%	0.14	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.6	-177	-173.2	-163.5	135.9	0	0	109.2	E395 K425 K427	E391-E395 CarbonylContact C-O 3.43Å; E391-E395 WeakPolarHBondContact CA-O 3.4Å; E391-K425 HydrophobicContact CB-CB 4.27Å; E391-K425 PolarHBondContact N-O 3.48Å; E391-K425 PolarHBondContact O-N 2.79Å; E391-K425 WeakPolarHBondContact OE1-CD 3.24Å; E391-K425 WeakPolarHBondContact OE1-CE 3.32Å; E391-K425 IonicContact OE1-NZ 2.69Å; E391-K425 PolarHBondContact OE1-NZ 2.71Å; E391-K427 IonicContact OE2-NZ 2.99Å; E391-K427 PolarHBondContact OE2-NZ 3.42Å
392	V	88.5	Confident	86.1	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	106.1	178.7	-174.5	0	0	0	0	107.7	I369 G394 E395 F415 V424	I369-V392 HydrophobicContact CD1-CG2 3.64Å; V392-G394 PolarHBondContact O-N 3.49Å; V392-E395 PolarHBondContact N-O 3.13Å; V392-E395 PolarHBondContact O-N 3.48Å; V392-F415 HydrophobicContact CB-CB 4.29Å; V392-F415 HydrophobicContact CB-CD1 3.55Å; V392-F415 HydrophobicContact CB-CE1 3.88Å; V392-F415 HydrophobicContact CB-CG 3.89Å; V392-F415 HydrophobicContact CG1-CB 4.29Å; V392-F415 HydrophobicContact CG1-CD1 4.41Å; V392-F415 HydrophobicContact CG1-CG 4.43Å; V392-F415 HydrophobicContact CG2-CB 4.28Å; V392-F415 HydrophobicContact CG2-CD1 3.65Å; V392-F415 HydrophobicContact CG2-CD2 3.78Å; V392-F415 HydrophobicContact CG2-CE1 3.76Å; V392-F415 HydrophobicContact CG2-CE2 3.91Å; V392-F415 HydrophobicContact CG2-CG 3.64Å; V392-F415 HydrophobicContact CG2-CZ 3.88Å; V392-V424 HydrophobicContact CG2-CG1 4.45Å; V392-V424 HydrophobicContact CG2-CG2 4.11Å
393	E	79.1	Confident	86.6	Confident	79 Å²	79	56.7 Å²	56.7	37%	0.369	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	2.1	168.7	-49.1	-162.4	141.5	0	0	117.3	T417 H419 P422	E393-T417 WeakPolarHBondContact OE2-CB 3.34Å; E393-T417 PolarHBondContact OE2-OG1 3.09Å; E393-H419 IonicContact OE1-CE1 2.69Å; E393-H419 IonicContact OE1-CG 2.69Å; E393-H419 IonicContact OE1-ND1 3.25Å; E393-H419 PolarHBondContact OE1-ND1 2.92Å; E393-H419 IonicContact OE2-CE1 2.66Å; E393-H419 IonicContact OE2-CG 2.62Å; E393-H419 IonicContact OE2-ND1 3.27Å; E393-H419 PolarHBondContact OE2-ND1 3.27Å; E393-P422 WeakPolarHBondContact OE1-CA 3.43Å; E393-P422 VanDerWaalsContact OE1-CB 3.28Å; E393-P422 WeakPolarHBondContact OE1-CB 3.25Å
394	G	76.6	Confident	86.7	Confident	64 Å²	64	50.9 Å²	50.9	66%	0.66	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	136.2	-28.2	179.1	0	0	0	0	0	111.5	V392	V392-G394 PolarHBondContact O-N 3.49Å
395	E	83.4	Confident	86.4	Confident	101 Å²	101	49.9 Å²	49.9	47%	0.472	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	136.3	169.3	-169.8	166.2	-143.4	0	0	109.8	E391 V392 F415	E391-E395 CarbonylContact C-O 3.43Å; E391-E395 WeakPolarHBondContact CA-O 3.4Å; V392-E395 PolarHBondContact N-O 3.13Å; V392-E395 PolarHBondContact O-N 3.48Å; E395-F415 HydrophobicContact CB-CD1 4.11Å; E395-F415 HydrophobicContact CB-CE1 4.18Å; E395-F415 HydrophobicContact CG-CD1 3.9Å; E395-F415 HydrophobicContact CG-CE1 3.9Å; E395-F415 WeakPolarHBondContact OE2-CD1 3.38Å
396	K	86.3	Confident	86.3	Confident	111 Å²	111	56 Å²	56	48%	0.483	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	113.9	-174.4	-172.6	-169	174.2	-161.9	0	110.6	T389 M390	T389-K396 VanDerWaalsContact OG1-CE 3.3Å; T389-K396 WeakPolarHBondContact OG1-CE 3.48Å; M390-K396 CarbonylContact O-C 3.15Å; M390-K396 VanDerWaalsContact O-CA 3.3Å; M390-K396 WeakPolarHBondContact O-CA 3.33Å
397	L	87.8	Confident	85.9	Confident	65 Å²	65	56.6 Å²	56.6	34%	0.34	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	156.9	170.3	-62.3	178.7	0	0	0	110.4	T389 M390 F415	T389-L397 CarbonylContact C-O 3.55Å; T389-L397 VanDerWaalsContact CA-O 3.25Å; T389-L397 WeakPolarHBondContact CA-O 3.42Å; T389-L397 WeakPolarHBondContact CB-O 3.12Å; M390-L397 HydrophobicContact CE-CB 4.06Å; M390-L397 PolarHBondContact N-O 3.33Å; M390-L397 PolarHBondContact O-N 3.04Å; L397-F415 HydrophobicContact CB-CZ 3.88Å; L397-F415 HydrophobicContact CD1-CE1 4.09Å; L397-F415 HydrophobicContact CD1-CE2 3.86Å; L397-F415 HydrophobicContact CD1-CZ 3.64Å; L397-F415 HydrophobicContact CG-CE1 3.95Å; L397-F415 HydrophobicContact CG-CE2 4.39Å; L397-F415 HydrophobicContact CG-CZ 3.67Å
398	Q	86.9	Confident	85.6	Confident	98 Å²	98	59.7 Å²	59.7	46%	0.458	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.1	-177.6	171.4	161.3	-25.7	0	0	109.9	Y387 T389	Y387-Q398 VanDerWaalsContact CD2-CD 3.46Å; Y387-Q398 HydrophobicContact CD2-CG 3.78Å; Y387-Q398 VanDerWaalsContact CE2-CD 3.48Å; Y387-Q398 HydrophobicContact CE2-CG 4.23Å; Y387-Q398 HydrophobicContact CG-CG 4.48Å; T389-Q398 HydrophobicContact CG2-CB 4.16Å; T389-Q398 HydrophobicContact CG2-CG 4.22Å
399	T	88.1	Confident	85.5	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.031	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-81.3	163.1	172	70.3	0	0	0	0	110.9	I371 C388 M390 W409	I371-T399 HydrophobicContact CB-CG2 4.27Å; I371-T399 HydrophobicContact CD1-CG2 3.82Å; C388-T399 HydrophobicContact CB-CG2 3.77Å; C388-T399 PolarHBondContact N-OG1 2.93Å; C388-T399 PolarHBondContact O-N 3.38Å; C388-T399 PolarHBondContact O-OG1 3.36Å; M390-T399 HydrophobicContact CE-CG2 4.42Å; T399-W409 HydrophobicContact CG2-CG 4.48Å; T399-W409 PolarHBondContact OG1-NE1 3.49Å
400	D	86.1	Confident	85	Confident	107 Å²	107	64.2 Å²	64.2	57%	0.572	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-56	158.6	171	-51.5	-82.5	0	0	0	112.3	W409 T411	D400-W409 PolarHBondContact O-NE1 2.9Å; D400-T411 PolarHBondContact OD2-OG1 3.31Å
401	Q	86	Confident	84.6	Confident	106 Å²	106	65.4 Å²	65.4	50%	0.495	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-74.9	129.4	174.5	-74.6	-171.4	-28.2	0	0	110.4	I385 E431	I385-Q401 HydrophobicContact CG2-CB 3.58Å; I385-Q401 HydrophobicContact CG2-CG 3.6Å; Q401-E431 PolarHBondContact NE2-OE1 3.47Å
402	A	86.6	Confident	84.5	Confident	14 Å²	14	69 Å²	69	12%	0.116	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.7	177.6	0	0	0	0	0	111.2	I385 V386 W409	I385-A402 WeakPolarHBondContact CA-O 3.44Å; V386-A402 WeakPolarHBondContact CG2-O 3.45Å; V386-A402 PolarHBondContact N-O 3.03Å; V386-A402 PolarHBondContact O-N 3.32Å; A402-W409 HydrophobicContact CB-CZ2 3.97Å
403	E	85.8	Confident	84.4	Confident	114 Å²	114	68.7 Å²	68.7	53%	0.533	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	142.2	173.5	-70.7	-171	-172.6	0	0	112	S405 R406	E403-S405 VanDerWaalsContact CB-OG 3.24Å; E403-S405 WeakPolarHBondContact CB-OG 3.25Å; E403-S405 PolarHBondContact O-N 3.06Å; E403-S405 VanDerWaalsContact O-N 3.17Å; E403-S405 PolarHBondContact OE2-OG 2.95Å; E403-R406 CarbonylContact O-C 3.47Å; E403-R406 PolarHBondContact O-N 3.39Å
404	A	82.8	Confident	84.9	Confident	13 Å²	13	69.6 Å²	69.6	11%	0.107	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.5	171.1	0	0	0	0	0	113.3	L377 V380 R384 V386 R406	L377-A404 HydrophobicContact CD2-CB 3.94Å; V380-A404 HydrophobicContact CB-CB 4.45Å; V380-A404 HydrophobicContact CG1-CB 3.82Å; R384-A404 HydrophobicContact CB-CB 4.4Å; R384-A404 WeakPolarHBondContact O-CB 3.43Å; R384-A404 PolarHBondContact O-N 2.82Å; V386-A404 HydrophobicContact CG1-CB 4.18Å; A404-R406 VanDerWaalsContact C-N 3.3Å
405	S	79.2	Confident	85.5	Confident	66 Å²	66	66.9 Å²	66.9	46%	0.462	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-33.5	170.5	70.2	0	0	0	0	113	P382 E403	P382-S405 WeakPolarHBondContact O-CB 3.4Å; P382-S405 PolarHBondContact O-N 3.08Å; E403-S405 VanDerWaalsContact CB-OG 3.24Å; E403-S405 WeakPolarHBondContact CB-OG 3.25Å; E403-S405 PolarHBondContact O-N 3.06Å; E403-S405 VanDerWaalsContact O-N 3.17Å; E403-S405 PolarHBondContact OE2-OG 2.95Å
406	R	84	Confident	85.6	Confident	178 Å²	178	66.7 Å²	66.7	67%	0.672	35%	0.35	S	S	*	.	S	Bend	trans	-153.6	71.3	-174.8	-169.6	179	173.7	173.3	-1.8	110.8	E403 A404 Q408	E403-R406 CarbonylContact O-C 3.47Å; E403-R406 PolarHBondContact O-N 3.39Å; A404-R406 VanDerWaalsContact C-N 3.3Å; R406-Q408 VanDerWaalsContact C-N 3.31Å; R406-Q408 HydrophobicContact CG-CG 4.12Å; R406-Q408 PolarHBondContact O-N 3.34Å
407	P	82.3	Confident	85.6	Confident	13 Å²	13	61.8 Å²	61.8	8%	0.084	33%	0.329	C	S	.	.			trans	-77.2	80.6	-176.5	31.9	-35.6	0	0	0	110.9	E373 V374 V386 W409	E373-P407 CarbonylContact C-O 3.52Å; E373-P407 VanDerWaalsContact CA-O 3.29Å; E373-P407 WeakPolarHBondContact CA-O 3.04Å; V374-P407 HydrophobicContact CB-CB 4.25Å; V374-P407 HydrophobicContact CB-CG 4.07Å; V374-P407 HydrophobicContact CG1-CG 4.33Å; V374-P407 PolarHBondContact N-O 2.98Å; V386-P407 HydrophobicContact CG2-CB 3.88Å; P407-W409 HydrophobicContact CB-CH2 3.64Å; P407-W409 HydrophobicContact CB-CZ2 4.34Å; P407-W409 HydrophobicContact CB-CZ3 3.96Å; P407-W409 WeakPolarHBondContact O-CZ3 3.26Å
408	Q	84.8	Confident	85.5	Confident	83 Å²	83	61.6 Å²	61.6	39%	0.388	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-121.3	142	176.7	-57.7	-168.6	-60.8	0	0	109.8	M372 E373 R406	M372-Q408 CarbonylContact O-C 3.5Å; M372-Q408 WeakPolarHBondContact O-CA 3.27Å; E373-Q408 HydrophobicContact CB-CB 4.38Å; E373-Q408 HydrophobicContact CB-CG 3.9Å; E373-Q408 PolarHBondContact OE2-NE2 3.42Å; R406-Q408 VanDerWaalsContact C-N 3.31Å; R406-Q408 HydrophobicContact CG-CG 4.12Å; R406-Q408 PolarHBondContact O-N 3.34Å
409	W	87.7	Confident	85.5	Confident	26 Å²	26	58.5 Å²	58.5	10%	0.098	32%	0.316	C	S	.	.			trans	-136.1	161.7	-177.1	-63.5	-82.1	0	0	0	110.6	I371 M372 V374 V386 T399 D400 A402 P407 L428	I371-W409 HydrophobicContact CG2-CB 4.43Å; I371-W409 HydrophobicContact CG2-CD2 4.39Å; I371-W409 HydrophobicContact CG2-CE3 3.85Å; I371-W409 CarbonylContact O-C 3.5Å; M372-W409 WeakPolarHBondContact CA-O 3.35Å; M372-W409 PolarHBondContact O-N 3.39Å; M372-W409 VanDerWaalsContact O-O 3.06Å; V374-W409 HydrophobicContact CB-CZ3 4.1Å; V374-W409 HydrophobicContact CG2-CH2 4.31Å; V374-W409 HydrophobicContact CG2-CZ3 3.83Å; V386-W409 HydrophobicContact CG2-CH2 4.3Å; V386-W409 HydrophobicContact CG2-CZ2 4.17Å; T399-W409 HydrophobicContact CG2-CG 4.48Å; T399-W409 PolarHBondContact OG1-NE1 3.49Å; D400-W409 PolarHBondContact O-NE1 2.9Å; A402-W409 HydrophobicContact CB-CZ2 3.97Å; P407-W409 HydrophobicContact CB-CH2 3.64Å; P407-W409 HydrophobicContact CB-CZ2 4.34Å; P407-W409 HydrophobicContact CB-CZ3 3.96Å; P407-W409 WeakPolarHBondContact O-CZ3 3.26Å; W409-L428 HydrophobicContact CH2-CD1 3.75Å; W409-L428 HydrophobicContact CZ2-CD1 4.42Å
410	G	80.1	Confident	85.3	Confident	69 Å²	69	58.2 Å²	58.2	71%	0.711	32%	0.315	S	S	*	.			trans	-122.3	9.6	167.4	0	0	0	0	0	112.8	Q412	G410-Q412 PolarHBondContact O-N 3.06Å
411	T	85.1	Confident	85.2	Confident	27 Å²	27	54.3 Å²	54.3	17%	0.166	29%	0.292	C	S	.	.			trans	-72.2	122.8	-168.3	-33.6	0	0	0	0	111.1	I371 D400	I371-T411 PolarHBondContact N-O 2.85Å; D400-T411 PolarHBondContact OD2-OG1 3.31Å
412	Q	86.3	Confident	85.3	Confident	104 Å²	104	49.3 Å²	49.3	49%	0.486	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	135.6	167.9	178.5	177.8	-26.3	0	0	109.2	E368 I369 V370 G410 D414	E368-Q412 HydrophobicContact CG-CG 3.95Å; I369-Q412 CarbonylContact O-C 3.57Å; I369-Q412 WeakPolarHBondContact O-CA 3.33Å; V370-Q412 HydrophobicContact CG2-CB 4.11Å; V370-Q412 HydrophobicContact CG2-CG 4.07Å; G410-Q412 PolarHBondContact O-N 3.06Å; Q412-D414 VanDerWaalsContact NE2-CG 3.34Å; Q412-D414 PolarHBondContact NE2-OD1 1.8Å; Q412-D414 PolarHBondContact NE2-OD2 3.39Å; Q412-D414 VanDerWaalsContact NE2-OD2 3.11Å
413	G	87.5	Confident	85.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.4	169.1	0	0	0	0	0	109.8	I369 F415	I369-G413 PolarHBondContact N-O 3.49Å; I369-G413 PolarHBondContact O-N 3.07Å; G413-F415 WeakPolarHBondContact O-CD2 3.18Å
414	D	88.5	Confident	85.5	Confident	98 Å²	98	43.5 Å²	43.5	52%	0.524	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.9	176.5	-61.6	-34.6	0	0	0	110	L367 Q412	L367-D414 CarbonylContact O-C 3.48Å; L367-D414 WeakPolarHBondContact O-CA 3.28Å; Q412-D414 VanDerWaalsContact NE2-CG 3.34Å; Q412-D414 PolarHBondContact NE2-OD1 1.8Å; Q412-D414 PolarHBondContact NE2-OD2 3.39Å; Q412-D414 VanDerWaalsContact NE2-OD2 3.11Å
415	F	89.3	Confident	85.9	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.1	-175.7	-63.9	-95.5	0	0	0	110.6	L367 I369 M390 V392 E395 L397 G413	L367-F415 HydrophobicContact CB-CB 4.44Å; L367-F415 PolarHBondContact N-O 3.41Å; L367-F415 PolarHBondContact O-N 3.24Å; I369-F415 HydrophobicContact CD1-CD2 3.8Å; I369-F415 HydrophobicContact CD1-CE2 3.73Å; I369-F415 HydrophobicContact CG1-CD2 4.49Å; M390-F415 HydrophobicContact CB-CE2 3.99Å; M390-F415 HydrophobicContact CB-CZ 3.75Å; V392-F415 HydrophobicContact CB-CB 4.29Å; V392-F415 HydrophobicContact CB-CD1 3.55Å; V392-F415 HydrophobicContact CB-CE1 3.88Å; V392-F415 HydrophobicContact CB-CG 3.89Å; V392-F415 HydrophobicContact CG1-CB 4.29Å; V392-F415 HydrophobicContact CG1-CD1 4.41Å; V392-F415 HydrophobicContact CG1-CG 4.43Å; V392-F415 HydrophobicContact CG2-CB 4.28Å; V392-F415 HydrophobicContact CG2-CD1 3.65Å; V392-F415 HydrophobicContact CG2-CD2 3.78Å; V392-F415 HydrophobicContact CG2-CE1 3.76Å; V392-F415 HydrophobicContact CG2-CE2 3.91Å; V392-F415 HydrophobicContact CG2-CG 3.64Å; V392-F415 HydrophobicContact CG2-CZ 3.88Å; E395-F415 HydrophobicContact CB-CD1 4.11Å; E395-F415 HydrophobicContact CB-CE1 4.18Å; E395-F415 HydrophobicContact CG-CD1 3.9Å; E395-F415 HydrophobicContact CG-CE1 3.9Å; E395-F415 WeakPolarHBondContact OE2-CD1 3.38Å; L397-F415 HydrophobicContact CB-CZ 3.88Å; L397-F415 HydrophobicContact CD1-CE1 4.09Å; L397-F415 HydrophobicContact CD1-CE2 3.86Å; L397-F415 HydrophobicContact CD1-CZ 3.64Å; L397-F415 HydrophobicContact CG-CE1 3.95Å; L397-F415 HydrophobicContact CG-CE2 4.39Å; L397-F415 HydrophobicContact CG-CZ 3.67Å; G413-F415 WeakPolarHBondContact O-CD2 3.18Å
416	T	86.3	Confident	86.5	Confident	98 Å²	98	42.7 Å²	42.7	60%	0.601	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.7	169.7	62.5	0	0	0	0	111.2	F365 T366	F365-T416 WeakPolarHBondContact O-CA 3.11Å; T366-T416 HydrophobicContact CG2-CG2 4.44Å
417	T	86.4	Confident	86.9	Confident	7 Å²	7	36.3 Å²	36.3	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.5	178.5	178.9	0	0	0	0	111.2	S364 F365 L367 E393 H419 P422	S364-T417 WeakPolarHBondContact CA-O 3.31Å; F365-T417 HydrophobicContact CB-CG2 3.86Å; F365-T417 HydrophobicContact CD2-CG2 4.31Å; F365-T417 HydrophobicContact CG-CG2 4.45Å; F365-T417 PolarHBondContact N-O 2.69Å; F365-T417 PolarHBondContact O-N 3.1Å; L367-T417 HydrophobicContact CD1-CG2 3.37Å; E393-T417 WeakPolarHBondContact OE2-CB 3.34Å; E393-T417 PolarHBondContact OE2-OG1 3.09Å; T417-H419 PolarHBondContact OG1-N 2.83Å; T417-P422 HydrophobicContact CG2-CB 4.05Å; T417-P422 HydrophobicContact CG2-CG 4.18Å
418	T	85.6	Confident	87.2	Confident	61 Å²	61	35.7 Å²	35.7	37%	0.374	20%	0.199	S	C	.	.	S	Bend	trans	-101.6	4.5	168.6	55.9	0	0	0	0	113.3	V362 L363 S530	V362-T418 HydrophobicContact CG1-CG2 4.23Å; L363-T418 CarbonylContact O-C 3.54Å; L363-T418 WeakPolarHBondContact O-CA 3.1Å; L363-T418 WeakPolarHBondContact O-CB 3.31Å; T418-S530 WeakPolarHBondContact O-CA 3.48Å
419	H	86.1	Confident	87.5	Confident	33 Å²	33	33 Å²	33	15%	0.153	19%	0.185	C	C	.	.			trans	-96.1	120.9	-178.9	-64.8	165	0	0	0	111.1	E393 T417 R421 P422 S530	E393-H419 IonicContact OE1-CE1 2.69Å; E393-H419 IonicContact OE1-CG 2.69Å; E393-H419 IonicContact OE1-ND1 3.25Å; E393-H419 PolarHBondContact OE1-ND1 2.92Å; E393-H419 IonicContact OE2-CE1 2.66Å; E393-H419 IonicContact OE2-CG 2.62Å; E393-H419 IonicContact OE2-ND1 3.27Å; E393-H419 PolarHBondContact OE2-ND1 3.27Å; T417-H419 PolarHBondContact OG1-N 2.83Å; H419-R421 PolarHBondContact O-N 3.46Å; H419-P422 HydrophobicContact CB-CB 4.39Å; H419-P422 WeakPolarHBondContact O-CD 3.48Å; H419-S530 PolarHBondContact CD2-N 2.76Å; H419-S530 PolarHBondContact NE2-N 3.42Å
420	P	83.9	Confident	87.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-66.3	-7.7	174.2	-23.4	35.4	0	0	0	115.1	L363 F365 V511 Y525	L363-P420 HydrophobicContact CD1-CG 4.47Å; F365-P420 HydrophobicContact CE2-CB 4.07Å; F365-P420 HydrophobicContact CE2-CG 3.84Å; F365-P420 HydrophobicContact CZ-CB 3.74Å; F365-P420 HydrophobicContact CZ-CG 3.86Å; P420-V511 HydrophobicContact CB-CG2 4.24Å; P420-Y525 HydrophobicContact CB-CD2 4.47Å; P420-Y525 HydrophobicContact CB-CG 4.28Å; P420-Y525 HydrophobicContact CG-CD1 3.67Å; P420-Y525 HydrophobicContact CG-CD2 4.16Å; P420-Y525 HydrophobicContact CG-CE1 3.82Å; P420-Y525 HydrophobicContact CG-CE2 4.3Å; P420-Y525 HydrophobicContact CG-CG 3.84Å
421	R	86	Confident	87.5	Confident	25 Å²	25	32 Å²	32	9%	0.094	16%	0.164	C	C	.	.	S	Bend	trans	-139.8	80.4	169.1	-71.5	-166.8	62.3	-138.8	-11.6	108.9	H419 Y493 Y509 E527 K528	H419-R421 PolarHBondContact O-N 3.46Å; R421-Y493 PolarHBondContact NE-OH 3.4Å; R421-Y493 PolarHBondContact NH1-OH 2.85Å; R421-Y509 HydrophobicContact CG-CD1 3.8Å; R421-Y509 HydrophobicContact CG-CE1 3.91Å; R421-Y509 HydrophobicContact CG-CG 4.19Å; R421-E527 VanDerWaalsContact CZ-CG 3.42Å; R421-E527 IonicContact CZ-OE1 3.25Å; R421-E527 IonicContact NH1-OE1 3.26Å; R421-E527 PolarHBondContact NH1-OE1 2.82Å; R421-E527 VanDerWaalsContact NH2-CD 3.34Å; R421-E527 IonicContact NH2-OE1 3.45Å; R421-E527 PolarHBondContact NH2-OE1 3.48Å; R421-K528 PolarHBondContact O-N 2.85Å
422	P	87	Confident	87	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.			trans	-75.7	172.6	179	35.6	-35.2	0	0	0	110.1	L367 E393 T417 H419 P450 M482	L367-P422 HydrophobicContact CD1-CG 4.33Å; L367-P422 HydrophobicContact CD2-CG 3.9Å; E393-P422 WeakPolarHBondContact OE1-CA 3.43Å; E393-P422 VanDerWaalsContact OE1-CB 3.28Å; E393-P422 WeakPolarHBondContact OE1-CB 3.25Å; T417-P422 HydrophobicContact CG2-CB 4.05Å; T417-P422 HydrophobicContact CG2-CG 4.18Å; H419-P422 HydrophobicContact CB-CB 4.39Å; H419-P422 WeakPolarHBondContact O-CD 3.48Å; P422-P450 HydrophobicContact CG-CG 3.92Å; P422-M482 HydrophobicContact CG-CE 4.17Å; P422-M482 HydrophobicContact CG-SD 4.11Å
423	V	87.6	Confident	85.7	Confident	6 Å²	6	32.3 Å²	32.3	4%	0.036	18%	0.175	C	C	.	.			trans	-126	103.5	177.2	-177.3	0	0	0	0	110.3	K425 I447 Y449 K528	V423-K425 HydrophobicContact CG1-CG 4.42Å; V423-I447 HydrophobicContact CG1-CG2 3.54Å; V423-Y449 HydrophobicContact CG1-CE1 4.33Å; V423-Y449 HydrophobicContact CG2-CD1 3.78Å; V423-Y449 HydrophobicContact CG2-CE1 3.55Å; V423-K528 HydrophobicContact CG2-CD 4.3Å; V423-K528 HydrophobicContact CG2-CG 3.74Å
424	V	89.3	Confident	84.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.7	174.8	177.6	0	0	0	0	108.4	L367 I369 V392 V426 I447 L448 P450 V480	L367-V424 HydrophobicContact CD2-CG2 3.93Å; I369-V424 HydrophobicContact CD1-CB 4.34Å; I369-V424 HydrophobicContact CD1-CG1 3.47Å; I369-V424 VanDerWaalsContact CD1-CG1 3.47Å; I369-V424 HydrophobicContact CD1-CG2 3.9Å; I369-V424 HydrophobicContact CG1-CG1 4.36Å; V392-V424 HydrophobicContact CG2-CG1 4.45Å; V392-V424 HydrophobicContact CG2-CG2 4.11Å; V424-V426 HydrophobicContact CG1-CG2 4.22Å; V424-I447 CarbonylContact O-C 3.57Å; V424-I447 WeakPolarHBondContact O-CA 3.48Å; V424-L448 HydrophobicContact CB-CB 4.3Å; V424-L448 PolarHBondContact N-O 2.97Å; V424-L448 PolarHBondContact O-N 3.27Å; V424-P450 HydrophobicContact CG2-CG 3.95Å; V424-V480 HydrophobicContact CG2-CG1 4.4Å
425	K	90.9	Very high	82.8	Confident	62 Å²	62	37 Å²	37	27%	0.27	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.5	170.6	-43.7	170.5	-159.5	152.8	0	108.2	E391 V423 V446 I447	E391-K425 HydrophobicContact CB-CB 4.27Å; E391-K425 PolarHBondContact N-O 3.48Å; E391-K425 PolarHBondContact O-N 2.79Å; E391-K425 WeakPolarHBondContact OE1-CD 3.24Å; E391-K425 WeakPolarHBondContact OE1-CE 3.32Å; E391-K425 IonicContact OE1-NZ 2.69Å; E391-K425 PolarHBondContact OE1-NZ 2.71Å; V423-K425 HydrophobicContact CG1-CG 4.42Å; K425-V446 WeakPolarHBondContact CA-O 3.35Å; K425-I447 HydrophobicContact CG-CG1 4.27Å; K425-I447 HydrophobicContact CG-CG2 4.45Å
426	V	91.6	Very high	81.2	Confident	1 Å²	1	45 Å²	45	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	124	171	179.9	0	0	0	0	108.7	I371 C388 T389 M390 V424 R445 V446 I476 L478	I371-V426 HydrophobicContact CD1-CG1 3.48Å; I371-V426 VanDerWaalsContact CD1-CG1 3.48Å; I371-V426 HydrophobicContact CD1-CG2 4.33Å; I371-V426 HydrophobicContact CG1-CG1 4.39Å; C388-V426 HydrophobicContact CB-CG1 4.27Å; T389-V426 WeakPolarHBondContact O-CA 3.47Å; M390-V426 HydrophobicContact CG-CG2 4.19Å; V424-V426 HydrophobicContact CG1-CG2 4.22Å; V426-R445 CarbonylContact O-C 3.56Å; V426-R445 VanDerWaalsContact O-CA 3.26Å; V426-R445 WeakPolarHBondContact O-CA 3.49Å; V426-V446 HydrophobicContact CB-CG1 3.77Å; V426-V446 PolarHBondContact N-O 2.9Å; V426-V446 PolarHBondContact O-N 3.22Å; V426-I476 HydrophobicContact CG1-CD1 3.66Å; V426-L478 HydrophobicContact CB-CD2 4.39Å; V426-L478 HydrophobicContact CG2-CD2 4.17Å
427	K	92	Very high	79.9	Confident	44 Å²	44	42.7 Å²	42.7	19%	0.191	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.6	-178.4	-67.5	165	171.8	160.8	0	109.4	C388 T389 E391 F429 E442 R445	C388-K427 CarbonylContact C-O 3.55Å; C388-K427 VanDerWaalsContact CA-O 3.25Å; C388-K427 WeakPolarHBondContact CA-O 3.39Å; T389-K427 PolarHBondContact N-O 2.88Å; T389-K427 PolarHBondContact O-N 3.25Å; E391-K427 IonicContact OE2-NZ 2.99Å; E391-K427 PolarHBondContact OE2-NZ 3.42Å; K427-F429 HydrophobicContact CB-CD2 4.18Å; K427-F429 HydrophobicContact CB-CE2 3.48Å; K427-F429 VanDerWaalsContact CB-CE2 3.48Å; K427-F429 HydrophobicContact CB-CZ 4.11Å; K427-F429 HydrophobicContact CD-CE2 4.05Å; K427-F429 HydrophobicContact CD-CZ 4.03Å; K427-F429 HydrophobicContact CG-CE2 4.42Å; K427-E442 WeakPolarHBondContact CD-OE2 3.4Å; K427-E442 WeakPolarHBondContact CE-OE2 3.37Å; K427-R445 HydrophobicContact CG-CB 3.87Å
428	L	90.2	Very high	78.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.1	172.4	177	71.6	0	0	0	109.2	V374 V386 W409 L443 G444 M463 L474	V374-L428 HydrophobicContact CG1-CD2 4Å; V374-L428 HydrophobicContact CG2-CD1 4.3Å; V374-L428 HydrophobicContact CG2-CD2 4.21Å; V386-L428 HydrophobicContact CB-CD1 4.2Å; W409-L428 HydrophobicContact CH2-CD1 3.75Å; W409-L428 HydrophobicContact CZ2-CD1 4.42Å; L428-L443 HydrophobicContact CB-CB 4.5Å; L428-L443 HydrophobicContact CD2-CB 4.02Å; L428-L443 HydrophobicContact CD2-CD1 3.95Å; L428-L443 HydrophobicContact CG-CB 4.15Å; L428-L443 HydrophobicContact CG-CD1 4.05Å; L428-L443 PolarHBondContact O-N 3.26Å; L428-G444 PolarHBondContact N-O 2.97Å; L428-M463 HydrophobicContact CB-CE 3.93Å; L428-M463 HydrophobicContact CB-SD 4.34Å; L428-L474 HydrophobicContact CD2-CD1 4.49Å; L428-L474 HydrophobicContact CD2-CD2 4.13Å
429	F	89.1	Confident	77.8	Confident	25 Å²	25	55.8 Å²	55.8	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	160.6	178.8	-70.4	-88.1	0	0	0	111.5	V386 Y387 T389 K427 D440 K441 E442	V386-F429 WeakPolarHBondContact CA-O 3.41Å; V386-F429 WeakPolarHBondContact CB-O 3.29Å; Y387-F429 HydrophobicContact CD1-CB 4.4Å; Y387-F429 HydrophobicContact CD2-CB 4.25Å; Y387-F429 HydrophobicContact CE1-CB 3.96Å; Y387-F429 HydrophobicContact CE2-CB 3.79Å; Y387-F429 AromaticContact CE2-CD2 3.93Å; Y387-F429 HydrophobicContact CE2-CD2 3.93Å; Y387-F429 HydrophobicContact CE2-CG 4.09Å; Y387-F429 PolarHBondContact N-O 2.96Å; Y387-F429 VanDerWaalsContact N-O 3.14Å; Y387-F429 PolarHBondContact O-N 3.25Å; T389-F429 HydrophobicContact CG2-CD2 4.06Å; T389-F429 HydrophobicContact CG2-CE2 4.1Å; K427-F429 HydrophobicContact CB-CD2 4.18Å; K427-F429 HydrophobicContact CB-CE2 3.48Å; K427-F429 VanDerWaalsContact CB-CE2 3.48Å; K427-F429 HydrophobicContact CB-CZ 4.11Å; K427-F429 HydrophobicContact CD-CE2 4.05Å; K427-F429 HydrophobicContact CD-CZ 4.03Å; K427-F429 HydrophobicContact CG-CE2 4.42Å; F429-D440 HydrophobicContact CB-CB 4.33Å; F429-D440 HydrophobicContact CD1-CB 4.06Å; F429-K441 WeakPolarHBondContact CA-O 3.34Å; F429-E442 HydrophobicContact CD1-CB 4.23Å; F429-E442 HydrophobicContact CE1-CB 3.82Å; F429-E442 HydrophobicContact CZ-CB 4.35Å
430	T	87.6	Confident	77.6	Confident	11 Å²	11	56.5 Å²	56.5	7%	0.067	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.1	163.9	-171.3	0	0	0	0	110.8	V380 I385 K441 L443	V380-T430 HydrophobicContact CG2-CG2 4.21Å; I385-T430 WeakPolarHBondContact O-CA 3.18Å; I385-T430 PolarHBondContact O-OG1 3.19Å; T430-K441 HydrophobicContact CG2-CB 4.09Å; T430-K441 HydrophobicContact CG2-CD 4.49Å; T430-K441 PolarHBondContact N-O 3.09Å; T430-K441 PolarHBondContact O-N 3.35Å; T430-L443 HydrophobicContact CG2-CD1 4.22Å; T430-L443 HydrophobicContact CG2-CD2 3.81Å; T430-L443 HydrophobicContact CG2-CG 4.13Å
431	E	81.1	Confident	77.6	Confident	65 Å²	65	62.3 Å²	62.3	30%	0.304	34%	0.339	S	S	.	.			trans	-72	125.6	-171	-168	177.1	-122	0	0	113.1	R384 I385 Q401 T433 D440	R384-E431 PolarHBondContact NH1-O 2.99Å; I385-E431 HydrophobicContact CB-CB 4.26Å; I385-E431 HydrophobicContact CG2-CB 4.49Å; I385-E431 PolarHBondContact O-N 3.04Å; Q401-E431 PolarHBondContact NE2-OE1 3.47Å; E431-T433 PolarHBondContact O-N 2.82Å; E431-T433 VanDerWaalsContact O-N 3.11Å; E431-D440 WeakPolarHBondContact CA-OD1 3.35Å
432	S	73.8	Confident	77.7	Confident	41 Å²	41	63.4 Å²	63.4	29%	0.287	35%	0.345	S	S	.	.			trans	-79.7	82	-178.6	-80.7	0	0	0	0	112.1	G434 E439 D440	S432-G434 PolarHBondContact O-N 3.04Å; S432-E439 PolarHBondContact OG-O 3.34Å; S432-D440 WeakPolarHBondContact CB-OD1 3.37Å; S432-D440 PolarHBondContact N-OD1 3.48Å
433	T	59.5	Low	77.6	Confident	95 Å²	95	63.5 Å²	63.5	58%	0.583	35%	0.346	S	S	*	.			trans	-67.7	34.3	177.2	70.2	0	0	0	0	115.3	R384 E431	R384-T433 VanDerWaalsContact CZ-OG1 3.29Å; R384-T433 PolarHBondContact NH1-OG1 2.95Å; R384-T433 PolarHBondContact NH2-OG1 3.15Å; E431-T433 PolarHBondContact O-N 2.82Å; E431-T433 VanDerWaalsContact O-N 3.11Å
434	G	60	Low	77.6	Confident	40 Å²	40	63.2 Å²	63.2	41%	0.412	34%	0.344	S	S	.	.	S	Bend	trans	-121.5	127.3	-177.6	0	0	0	0	0	111.1	S432 L436 A437	S432-G434 PolarHBondContact O-N 3.04Å; G434-L436 PolarHBondContact O-N 3.33Å; G434-A437 WeakPolarHBondContact O-CB 3.33Å; G434-A437 PolarHBondContact O-N 3.36Å
435	V	54.7	Low	77.7	Confident	157 Å²	157	68.3 Å²	68.3	95%	0.952	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-7.6	-173.2	-171.2	0	0	0	0	114.3
436	L	57	Low	77.7	Confident	173 Å²	173	65.9 Å²	65.9	91%	0.906	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	10.2	178.2	-63.8	174	0	0	0	113.6	G434	G434-L436 PolarHBondContact O-N 3.33Å
437	A	58.1	Low	77.6	Confident	51 Å²	51	69.4 Å²	69.4	42%	0.421	37%	0.372	S	S	.	.			trans	-89.5	119.7	177.2	0	0	0	0	0	110.6	G434	G434-A437 WeakPolarHBondContact O-CB 3.33Å; G434-A437 PolarHBondContact O-N 3.36Å
438	L	58.6	Low	77.4	Confident	176 Å²	176	68.3 Å²	68.3	92%	0.921	37%	0.368	S	S	*	.			trans	-89.8	-14.6	-178.5	-72.9	164.7	0	0	0	113.9
439	E	70.4	Confident	77.2	Confident	167 Å²	167	73.2 Å²	73.2	78%	0.78	39%	0.387	S	S	*	.	S	Bend	trans	-142.2	154.7	179.3	-64.9	-171.8	161.7	0	0	111.3	S432	S432-E439 PolarHBondContact OG-O 3.34Å
440	D	81.6	Confident	77	Confident	47 Å²	47	72.4 Å²	72.4	25%	0.251	38%	0.384	S	S	.	.			trans	-80.8	152.3	172.2	-78.1	-29.7	0	0	0	112.3	Y387 F429 E431 S432 E442	Y387-D440 VanDerWaalsContact CE1-OD2 3.27Å; Y387-D440 WeakPolarHBondContact CE1-OD2 3.39Å; Y387-D440 WeakPolarHBondContact OH-CB 3.43Å; Y387-D440 PolarHBondContact OH-OD2 3.3Å; F429-D440 HydrophobicContact CB-CB 4.33Å; F429-D440 HydrophobicContact CD1-CB 4.06Å; E431-D440 WeakPolarHBondContact CA-OD1 3.35Å; S432-D440 WeakPolarHBondContact CB-OD1 3.37Å; S432-D440 PolarHBondContact N-OD1 3.48Å; D440-E442 PolarHBondContact O-N 2.82Å
441	K	84.1	Confident	76.8	Confident	122 Å²	122	73 Å²	73	53%	0.53	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	112.8	-172.2	-176.2	-174.5	175.2	-167.3	0	111.8	F429 T430 L443	F429-K441 WeakPolarHBondContact CA-O 3.34Å; T430-K441 HydrophobicContact CG2-CB 4.09Å; T430-K441 HydrophobicContact CG2-CD 4.49Å; T430-K441 PolarHBondContact N-O 3.09Å; T430-K441 PolarHBondContact O-N 3.35Å; K441-L443 HydrophobicContact CD-CD2 4.44Å; K441-L443 PolarHBondContact O-N 2.89Å
442	E	86.9	Confident	76.6	Confident	48 Å²	48	70.8 Å²	70.8	22%	0.224	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	117.7	168.9	-173	176.3	115.6	0	0	109.3	K427 F429 D440 R445	K427-E442 WeakPolarHBondContact CD-OE2 3.4Å; K427-E442 WeakPolarHBondContact CE-OE2 3.37Å; F429-E442 HydrophobicContact CD1-CB 4.23Å; F429-E442 HydrophobicContact CE1-CB 3.82Å; F429-E442 HydrophobicContact CZ-CB 4.35Å; D440-E442 PolarHBondContact O-N 2.82Å; E442-R445 WeakPolarHBondContact OE1-CD 3.4Å; E442-R445 IonicContact OE1-CZ 3.8Å; E442-R445 IonicContact OE1-NE 2.71Å; E442-R445 IonicContact OE1-NH1 2.88Å; E442-R445 PolarHBondContact OE1-NH1 2.75Å
443	L	86	Confident	76.6	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.016	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-32.3	178	-64.5	-179.5	0	0	0	112.2	L377 V380 V386 L428 T430 K441 P466	L377-L443 HydrophobicContact CD1-CD1 3.91Å; V380-L443 HydrophobicContact CG2-CD1 3.84Å; V380-L443 HydrophobicContact CG2-CD2 3.66Å; V380-L443 HydrophobicContact CG2-CG 4.42Å; V386-L443 HydrophobicContact CG1-CD1 3.97Å; L428-L443 HydrophobicContact CB-CB 4.5Å; L428-L443 HydrophobicContact CD2-CB 4.02Å; L428-L443 HydrophobicContact CD2-CD1 3.95Å; L428-L443 HydrophobicContact CG-CB 4.15Å; L428-L443 HydrophobicContact CG-CD1 4.05Å; L428-L443 PolarHBondContact O-N 3.26Å; T430-L443 HydrophobicContact CG2-CD1 4.22Å; T430-L443 HydrophobicContact CG2-CD2 3.81Å; T430-L443 HydrophobicContact CG2-CG 4.13Å; K441-L443 HydrophobicContact CD-CD2 4.44Å; K441-L443 PolarHBondContact O-N 2.89Å; L443-P466 WeakPolarHBondContact O-CD 3.34Å
444	G	87.3	Confident	77.3	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.2	163	177.2	0	0	0	0	0	111.9	L428 M463 V464	L428-G444 PolarHBondContact N-O 2.97Å; G444-M463 WeakPolarHBondContact O-CE 3.39Å; G444-V464 CarbonylContact C-O 3.59Å; G444-V464 VanDerWaalsContact CA-O 3.26Å; G444-V464 WeakPolarHBondContact CA-O 3.38Å
445	R	91.1	Very high	77.7	Confident	107 Å²	107	71.5 Å²	71.5	40%	0.404	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	150.5	-177.8	64.1	174.4	-179.1	-119.8	8.2	113.4	V426 K427 E442 V464	V426-R445 CarbonylContact O-C 3.56Å; V426-R445 VanDerWaalsContact O-CA 3.26Å; V426-R445 WeakPolarHBondContact O-CA 3.49Å; K427-R445 HydrophobicContact CG-CB 3.87Å; E442-R445 WeakPolarHBondContact OE1-CD 3.4Å; E442-R445 IonicContact OE1-CZ 3.8Å; E442-R445 IonicContact OE1-NE 2.71Å; E442-R445 IonicContact OE1-NH1 2.88Å; E442-R445 PolarHBondContact OE1-NH1 2.75Å; R445-V464 HydrophobicContact CG-CB 4.42Å; R445-V464 PolarHBondContact N-O 2.99Å; R445-V464 PolarHBondContact O-N 3.33Å
446	V	91.4	Very high	78.5	Confident	10 Å²	10	69.1 Å²	69.1	6%	0.061	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.3	168.3	64.3	0	0	0	0	109.4	K425 V426 L448 H461 I476 L478	K425-V446 WeakPolarHBondContact CA-O 3.35Å; V426-V446 HydrophobicContact CB-CG1 3.77Å; V426-V446 PolarHBondContact N-O 2.9Å; V426-V446 PolarHBondContact O-N 3.22Å; V446-L448 HydrophobicContact CG2-CD2 3.67Å; V446-L448 HydrophobicContact CG2-CG 4.06Å; V446-H461 HydrophobicContact CG2-CB 3.93Å; V446-I476 HydrophobicContact CB-CG2 4.33Å; V446-I476 HydrophobicContact CG1-CG2 3.77Å; V446-L478 HydrophobicContact CG1-CD2 4.19Å
447	I	89.6	Confident	79.6	Confident	75 Å²	75	64.3 Å²	64.3	39%	0.385	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.3	176.5	-56.4	-179.6	0	0	0	107.7	V423 V424 K425 Y449	V423-I447 HydrophobicContact CG1-CG2 3.54Å; V424-I447 CarbonylContact O-C 3.57Å; V424-I447 WeakPolarHBondContact O-CA 3.48Å; K425-I447 HydrophobicContact CG-CG1 4.27Å; K425-I447 HydrophobicContact CG-CG2 4.45Å; I447-Y449 HydrophobicContact CG2-CE2 3.99Å
448	L	87.7	Confident	80.8	Confident	22 Å²	22	63.6 Å²	63.6	12%	0.115	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.6	-171.9	-54.8	174.2	0	0	0	110.5	V424 V446 H461 L478 V480	V424-L448 HydrophobicContact CB-CB 4.3Å; V424-L448 PolarHBondContact N-O 2.97Å; V424-L448 PolarHBondContact O-N 3.27Å; V446-L448 HydrophobicContact CG2-CD2 3.67Å; V446-L448 HydrophobicContact CG2-CG 4.06Å; L448-H461 WeakPolarHBondContact CD2-CD2 3.31Å; L448-L478 HydrophobicContact CD1-CD1 3.51Å; L448-L478 HydrophobicContact CD1-CD2 4.22Å; L448-L478 HydrophobicContact CD1-CG 4.46Å; L448-V480 HydrophobicContact CD1-CG2 3.85Å
449	Y	85.6	Confident	82	Confident	103 Å²	103	59.5 Å²	59.5	40%	0.404	30%	0.303	S	S	.	.			trans	-126.4	73.9	-177	-62.7	-97.9	0	0	0	108.5	V423 I447 E527	V423-Y449 HydrophobicContact CG1-CE1 4.33Å; V423-Y449 HydrophobicContact CG2-CD1 3.78Å; V423-Y449 HydrophobicContact CG2-CE1 3.55Å; I447-Y449 HydrophobicContact CG2-CE2 3.99Å; Y449-E527 HydrophobicContact CD1-CG 4.4Å; Y449-E527 HydrophobicContact CE1-CG 4.38Å
450	P	85.6	Confident	82.8	Confident	7 Å²	7	55.9 Å²	55.9	5%	0.045	29%	0.289	C	S	.	.			trans	-66.7	161.7	-177.6	31.5	-37.3	0	0	0	111.6	L367 P422 V424 V480 M482	L367-P450 HydrophobicContact CD2-CG 3.65Å; P422-P450 HydrophobicContact CG-CG 3.92Å; V424-P450 HydrophobicContact CG2-CG 3.95Å; P450-V480 HydrophobicContact CB-CB 4.47Å; P450-V480 HydrophobicContact CB-CG1 3.67Å; P450-V480 HydrophobicContact CG-CG1 3.85Å; P450-M482 HydrophobicContact CB-CB 4.43Å; P450-M482 HydrophobicContact CB-SD 4.34Å; P450-M482 HydrophobicContact CG-SD 4.35Å
451	T	82.2	Confident	83.1	Confident	23 Å²	23	55.9 Å²	55.9	14%	0.141	29%	0.287	C	S	.	.			trans	-142.2	163.9	175.1	63.3	0	0	0	0	109.1	N453 S454 Y509	T451-N453 PolarHBondContact O-N 3.26Å; T451-S454 PolarHBondContact N-OG 2.9Å; T451-S454 VanDerWaalsContact O-CB 3.26Å; T451-S454 WeakPolarHBondContact O-CB 3.46Å; T451-S454 PolarHBondContact O-N 3.45Å; T451-S454 PolarHBondContact O-OG 3.25Å; T451-S454 PolarHBondContact OG1-N 3.33Å; T451-S454 PolarHBondContact OG1-OG 2.75Å; T451-Y509 HydrophobicContact CG2-CE2 4.2Å
452	S	78.3	Confident	83.4	Confident	19 Å²	19	57.9 Å²	57.9	13%	0.133	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-16.5	174.4	55.6	0	0	0	0	114.8	M488 S491	S452-M488 WeakPolarHBondContact OG-CE 3.37Å; S452-S491 PolarHBondContact OG-OG 3.31Å
453	N	73.4	Confident	83.5	Confident	94 Å²	94	55.9 Å²	55.9	50%	0.503	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	6.3	-178.5	-53.3	9.3	0	0	0	111.6	T451 S491	T451-N453 PolarHBondContact O-N 3.26Å; N453-S491 PolarHBondContact ND2-O 2.86Å
454	S	72.9	Confident	83.5	Confident	46 Å²	46	60.3 Å²	60.3	32%	0.322	31%	0.309	S	S	.	.	S	Bend	trans	-71.9	152.3	179.3	-68.9	0	0	0	0	112.1	T451 K456	T451-S454 PolarHBondContact N-OG 2.9Å; T451-S454 VanDerWaalsContact O-CB 3.26Å; T451-S454 WeakPolarHBondContact O-CB 3.46Å; T451-S454 PolarHBondContact O-N 3.45Å; T451-S454 PolarHBondContact O-OG 3.25Å; T451-S454 PolarHBondContact OG1-N 3.33Å; T451-S454 PolarHBondContact OG1-OG 2.75Å; S454-K456 PolarHBondContact O-N 3.44Å
455	S	69.2	Low	83.4	Confident	52 Å²	52	62.6 Å²	62.6	36%	0.364	32%	0.323	S	S	.	.			trans	-53.1	127.9	176.2	179.8	0	0	0	0	112.2	S457 E459	S455-S457 VanDerWaalsContact C-N 3.34Å; S455-S457 PolarHBondContact OG-OG 3.11Å; S455-E459 WeakPolarHBondContact CB-OE1 3.26Å; S455-E459 PolarHBondContact OG-OE1 2.69Å
456	K	72.1	Confident	82.8	Confident	107 Å²	107	60.1 Å²	60.1	47%	0.465	32%	0.32	S	S	.	.			trans	-87.6	3.3	178.5	-66.6	-152.8	169.5	-158.9	0	113.9	S454 R481 D483	S454-K456 PolarHBondContact O-N 3.44Å; K456-R481 HydrophobicContact CB-CG 3.96Å; K456-R481 HydrophobicContact CD-CG 4.15Å; K456-R481 HydrophobicContact CG-CG 3.96Å; K456-R481 PolarHBondContact O-NE 3.23Å; K456-D483 IonicContact NZ-OD1 3.17Å; K456-D483 PolarHBondContact NZ-OD1 2.9Å
457	S	79.4	Confident	81.9	Confident	72 Å²	72	69.7 Å²	69.7	50%	0.503	36%	0.361	S	S	.	.	S	Bend	trans	-94.3	159.7	175.4	48.6	0	0	0	0	112.9	S455	S455-S457 VanDerWaalsContact C-N 3.34Å; S455-S457 PolarHBondContact OG-OG 3.11Å
458	A	82.6	Confident	80.7	Confident	36 Å²	36	73.9 Å²	73.9	30%	0.298	38%	0.384	S	S	.	.			trans	-80.7	124	178.7	0	0	0	0	0	112.2	M372 K477 L478 A479	M372-A458 HydrophobicContact CG-CB 4.25Å; M372-A458 HydrophobicContact SD-CB 3.34Å; M372-A458 WeakPolarHBondContact SD-CB 3.33Å; A458-K477 HydrophobicContact CB-CG 4.4Å; A458-L478 CarbonylContact C-O 3.58Å; A458-L478 WeakPolarHBondContact CA-O 3.2Å; A458-A479 HydrophobicContact CB-CB 4.06Å
459	E	85.5	Confident	79.8	Confident	90 Å²	90	74.7 Å²	74.7	42%	0.421	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	149.7	-172.6	-72.2	176.2	-160.6	0	0	112.1	S455 H461 K477 L478	S455-E459 WeakPolarHBondContact CB-OE1 3.26Å; S455-E459 PolarHBondContact OG-OE1 2.69Å; E459-H461 PolarHBondContact O-N 3.47Å; E459-H461 PolarHBondContact O-ND1 3.45Å; E459-K477 WeakPolarHBondContact O-CA 3.32Å; E459-L478 PolarHBondContact N-O 3.46Å; E459-L478 PolarHBondContact O-N 3.36Å; E459-L478 VanDerWaalsContact O-N 3.15Å
460	L	87.3	Confident	78.9	Confident	91 Å²	91	77.5 Å²	77.5	48%	0.476	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	103	-177.6	-92.6	162.6	0	0	0	111	Q375 K475 K477	Q375-L460 HydrophobicContact CG-CD2 4.39Å; L460-K475 HydrophobicContact CD2-CB 4.13Å; L460-K477 HydrophobicContact CD2-CB 3.81Å; L460-K477 HydrophobicContact CD2-CG 4.5Å; L460-K477 HydrophobicContact CG-CB 4.08Å; L460-K477 HydrophobicContact CG-CG 4.24Å
461	H	87.7	Confident	78.4	Confident	47 Å²	47	77.3 Å²	77.3	22%	0.218	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.1	-178.5	-59.7	82.1	0	0	0	110.9	V446 L448 E459 K475 I476	V446-H461 HydrophobicContact CG2-CB 3.93Å; L448-H461 WeakPolarHBondContact CD2-CD2 3.31Å; E459-H461 PolarHBondContact O-N 3.47Å; E459-H461 PolarHBondContact O-ND1 3.45Å; H461-K475 CarbonylContact O-C 3.47Å; H461-K475 VanDerWaalsContact O-CA 3.27Å; H461-K475 WeakPolarHBondContact O-CA 3.31Å; H461-I476 HydrophobicContact CB-CG2 4.26Å; H461-I476 PolarHBondContact N-O 2.99Å; H461-I476 PolarHBondContact O-N 3.27Å
462	R	89.1	Confident	77.7	Confident	163 Å²	163	81.6 Å²	81.6	62%	0.615	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	132.9	171.8	-179.2	179.5	-87.6	177.4	-5	110.1	D473 K475	R462-D473 IonicContact CZ-OD1 2.94Å; R462-D473 VanDerWaalsContact CZ-OD1 3.25Å; R462-D473 IonicContact NE-OD1 3.97Å; R462-D473 PolarHBondContact NE-OD1 3.4Å; R462-D473 IonicContact NH2-OD1 2.65Å; R462-D473 PolarHBondContact NH2-OD1 3.11Å; R462-K475 HydrophobicContact CB-CG 4.41Å
463	M	88.8	Confident	77.9	Confident	7 Å²	7	83.5 Å²	83.5	3%	0.034	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-86.8	144.9	175.5	-55.1	-168.3	90.3	0	0	111.2	V374 L428 G444 L474 I476	V374-M463 HydrophobicContact CG2-SD 4.35Å; L428-M463 HydrophobicContact CB-CE 3.93Å; L428-M463 HydrophobicContact CB-SD 4.34Å; G444-M463 WeakPolarHBondContact O-CE 3.39Å; M463-L474 HydrophobicContact CB-CB 4.34Å; M463-L474 HydrophobicContact CB-CD2 4.07Å; M463-L474 HydrophobicContact CB-CG 4.19Å; M463-L474 HydrophobicContact CG-CD2 4.4Å; M463-L474 HydrophobicContact CG-CG 4.29Å; M463-L474 PolarHBondContact N-O 2.84Å; M463-L474 HydrophobicContact SD-CD2 3.78Å; M463-L474 HydrophobicContact SD-CG 3.94Å; M463-I476 HydrophobicContact CE-CB 4.29Å; M463-I476 HydrophobicContact CE-CD1 4.14Å; M463-I476 HydrophobicContact CE-CG2 4.12Å; M463-I476 HydrophobicContact CG-CB 4.04Å; M463-I476 HydrophobicContact CG-CG2 3.72Å; M463-I476 HydrophobicContact SD-CB 3.85Å; M463-I476 HydrophobicContact SD-CG2 4.05Å
464	V	87.5	Confident	78.5	Confident	96 Å²	96	79 Å²	79	58%	0.582	42%	0.423	S	S	*	.	B	Isolated β-bridge	trans	-82.9	115.6	168.2	-177.8	0	0	0	0	108.3	G444 R445	G444-V464 CarbonylContact C-O 3.59Å; G444-V464 VanDerWaalsContact CA-O 3.26Å; G444-V464 WeakPolarHBondContact CA-O 3.38Å; R445-V464 HydrophobicContact CG-CB 4.42Å; R445-V464 PolarHBondContact N-O 2.99Å; R445-V464 PolarHBondContact O-N 3.33Å
465	V	84.8	Confident	79.3	Confident	47 Å²	47	79.9 Å²	79.9	29%	0.285	42%	0.421	S	S	.	.			trans	-95.4	152.3	-178.8	-70.5	0	0	0	0	112.4	D471 L474	V465-D471 HydrophobicContact CG1-CB 4.33Å; V465-D471 WeakPolarHBondContact CG1-O 3.23Å; V465-D471 WeakPolarHBondContact CG2-O 3.28Å; V465-L474 HydrophobicContact CG1-CB 3.83Å; V465-L474 HydrophobicContact CG1-CD2 3.8Å; V465-L474 HydrophobicContact CG1-CG 4.49Å
466	P	79	Confident	80.3	Confident	55 Å²	55	77.4 Å²	77.4	36%	0.357	40%	0.404	S	S	.	.			trans	-62.9	148.2	171.4	-22.1	33.5	0	0	0	112.7	L443 N468 S469	L443-P466 WeakPolarHBondContact O-CD 3.34Å; P466-N468 PolarHBondContact O-N 3.46Å; P466-S469 PolarHBondContact O-N 3.25Å; P466-S469 VanDerWaalsContact O-N 3.1Å
467	K	72.5	Confident	81.3	Confident	212 Å²	212	75.4 Å²	75.4	92%	0.922	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.2	-174.2	-67.6	-173.2	177.1	-176.9	0	116.1
468	N	63.2	Low	81.8	Confident	163 Å²	163	72 Å²	72	87%	0.872	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	18.7	-176.9	-60.4	13.2	0	0	0	112.6	P466	P466-N468 PolarHBondContact O-N 3.46Å
469	S	68.7	Low	82.1	Confident	38 Å²	38	70.7 Å²	70.7	27%	0.266	36%	0.36	S	S	.	.			trans	-89	156	175.7	-169.2	0	0	0	0	112.6	S379 P466 D471	S379-S469 PolarHBondContact OG-OG 2.99Å; P466-S469 PolarHBondContact O-N 3.25Å; P466-S469 VanDerWaalsContact O-N 3.1Å; S469-D471 PolarHBondContact OG-N 3.06Å; S469-D471 VanDerWaalsContact OG-N 3.17Å; S469-D471 PolarHBondContact OG-OD2 2.95Å
470	Q	66.4	Low	82.2	Confident	162 Å²	162	67.2 Å²	67.2	76%	0.757	35%	0.345	S	S	*	.	S	Bend	trans	-85.4	-8.5	167.9	-65.7	-173.1	-5.9	0	0	112.9	S472	Q470-S472 PolarHBondContact O-N 3.36Å
471	D	76.6	Confident	82.2	Confident	3 Å²	3	67 Å²	67	2%	0.016	34%	0.338	C	S	.	.			trans	-86.4	97.4	-175.9	-55.9	-40.4	0	0	0	111.5	K378 S379 V465 S469 L474	K378-D471 VanDerWaalsContact CA-OD1 3.31Å; K378-D471 WeakPolarHBondContact CA-OD1 3.5Å; K378-D471 WeakPolarHBondContact CB-OD1 3.49Å; K378-D471 PolarHBondContact N-OD1 3.34Å; S379-D471 WeakPolarHBondContact CB-OD2 3.49Å; S379-D471 PolarHBondContact N-OD1 2.79Å; S379-D471 PolarHBondContact OG-OD2 3.37Å; V465-D471 HydrophobicContact CG1-CB 4.33Å; V465-D471 WeakPolarHBondContact CG1-O 3.23Å; V465-D471 WeakPolarHBondContact CG2-O 3.28Å; S469-D471 PolarHBondContact OG-N 3.06Å; S469-D471 VanDerWaalsContact OG-N 3.17Å; S469-D471 PolarHBondContact OG-OD2 2.95Å; D471-L474 HydrophobicContact CB-CB 4.26Å
472	S	67.6	Low	82.2	Confident	113 Å²	113	65 Å²	65	79%	0.79	33%	0.329	S	S	*	.	S	Bend	trans	-91.8	-12.3	-176.6	56.5	0	0	0	0	115.7	Q470	Q470-S472 PolarHBondContact O-N 3.36Å
473	D	80.6	Confident	81.9	Confident	59 Å²	59	60.4 Å²	60.4	32%	0.316	32%	0.316	S	S	.	.	S	Bend	trans	-139.3	39.9	179.7	-167.5	36.3	0	0	0	112.6	R462 K475	R462-D473 IonicContact CZ-OD1 2.94Å; R462-D473 VanDerWaalsContact CZ-OD1 3.25Å; R462-D473 IonicContact NE-OD1 3.97Å; R462-D473 PolarHBondContact NE-OD1 3.4Å; R462-D473 IonicContact NH2-OD1 2.65Å; R462-D473 PolarHBondContact NH2-OD1 3.11Å; D473-K475 VanDerWaalsContact CG-NZ 3.31Å; D473-K475 PolarHBondContact O-N 3.28Å; D473-K475 WeakPolarHBondContact OD1-CE 3.42Å; D473-K475 IonicContact OD1-NZ 2.69Å; D473-K475 PolarHBondContact OD1-NZ 2.81Å; D473-K475 WeakPolarHBondContact OD2-CE 3.38Å; D473-K475 IonicContact OD2-NZ 3.38Å; D473-K475 PolarHBondContact OD2-NZ 3.47Å
474	L	87.3	Confident	81.7	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	34%	0.337	C	S	.	.			trans	-61.9	128.6	175.7	-169.4	69.3	0	0	0	110.5	V374 L377 L428 M463 V465 D471	V374-L474 HydrophobicContact CG1-CD1 3.61Å; V374-L474 HydrophobicContact CG1-CG 4.44Å; L377-L474 HydrophobicContact CB-CD1 3.94Å; L377-L474 HydrophobicContact CD1-CD1 4.35Å; L428-L474 HydrophobicContact CD2-CD1 4.49Å; L428-L474 HydrophobicContact CD2-CD2 4.13Å; M463-L474 HydrophobicContact CB-CB 4.34Å; M463-L474 HydrophobicContact CB-CD2 4.07Å; M463-L474 HydrophobicContact CB-CG 4.19Å; M463-L474 HydrophobicContact CG-CD2 4.4Å; M463-L474 HydrophobicContact CG-CG 4.29Å; M463-L474 PolarHBondContact N-O 2.84Å; M463-L474 HydrophobicContact SD-CD2 3.78Å; M463-L474 HydrophobicContact SD-CG 3.94Å; V465-L474 HydrophobicContact CG1-CB 3.83Å; V465-L474 HydrophobicContact CG1-CD2 3.8Å; V465-L474 HydrophobicContact CG1-CG 4.49Å; D471-L474 HydrophobicContact CB-CB 4.26Å
475	K	89.8	Confident	81.4	Confident	64 Å²	64	61.8 Å²	61.8	28%	0.278	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.8	-179.5	-73.4	156.1	176.2	156.5	0	110.6	V374 Q375 L460 H461 R462 D473	V374-K475 CarbonylContact C-O 3.56Å; V374-K475 WeakPolarHBondContact CA-O 3.32Å; Q375-K475 HydrophobicContact CB-CB 4.45Å; Q375-K475 PolarHBondContact N-O 2.93Å; Q375-K475 PolarHBondContact O-N 3.43Å; L460-K475 HydrophobicContact CD2-CB 4.13Å; H461-K475 CarbonylContact O-C 3.47Å; H461-K475 VanDerWaalsContact O-CA 3.27Å; H461-K475 WeakPolarHBondContact O-CA 3.31Å; R462-K475 HydrophobicContact CB-CG 4.41Å; D473-K475 VanDerWaalsContact CG-NZ 3.31Å; D473-K475 PolarHBondContact O-N 3.28Å; D473-K475 WeakPolarHBondContact OD1-CE 3.42Å; D473-K475 IonicContact OD1-NZ 2.69Å; D473-K475 PolarHBondContact OD1-NZ 2.81Å; D473-K475 WeakPolarHBondContact OD2-CE 3.38Å; D473-K475 IonicContact OD2-NZ 3.38Å; D473-K475 PolarHBondContact OD2-NZ 3.47Å
476	I	90.5	Very high	80.8	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.2	174.5	-171.7	168.2	0	0	0	109.7	I371 E373 V374 V426 V446 H461 M463 L478	I371-I476 HydrophobicContact CG2-CD1 4.09Å; I371-I476 HydrophobicContact CG2-CG1 4.44Å; E373-I476 CarbonylContact O-C 3.51Å; E373-I476 WeakPolarHBondContact O-CA 3.46Å; V374-I476 HydrophobicContact CG2-CB 3.98Å; V374-I476 HydrophobicContact CG2-CD1 4.06Å; V374-I476 HydrophobicContact CG2-CG1 3.83Å; V426-I476 HydrophobicContact CG1-CD1 3.66Å; V446-I476 HydrophobicContact CB-CG2 4.33Å; V446-I476 HydrophobicContact CG1-CG2 3.77Å; H461-I476 HydrophobicContact CB-CG2 4.26Å; H461-I476 PolarHBondContact N-O 2.99Å; H461-I476 PolarHBondContact O-N 3.27Å; M463-I476 HydrophobicContact CE-CB 4.29Å; M463-I476 HydrophobicContact CE-CD1 4.14Å; M463-I476 HydrophobicContact CE-CG2 4.12Å; M463-I476 HydrophobicContact CG-CB 4.04Å; M463-I476 HydrophobicContact CG-CG2 3.72Å; M463-I476 HydrophobicContact SD-CB 3.85Å; M463-I476 HydrophobicContact SD-CG2 4.05Å; I476-L478 HydrophobicContact CD1-CD2 4.17Å; I476-L478 HydrophobicContact CG1-CD2 4.15Å; I476-L478 HydrophobicContact CG2-CD2 3.93Å
477	K	91.4	Very high	80.8	Confident	64 Å²	64	62.2 Å²	62.2	28%	0.278	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.4	174.4	-172.3	-178.4	179.9	-175.5	0	108.8	M372 E373 A458 E459 L460	M372-K477 HydrophobicContact CB-CB 4.35Å; M372-K477 HydrophobicContact CB-CD 4.29Å; M372-K477 HydrophobicContact CB-CG 4.23Å; M372-K477 WeakPolarHBondContact CB-O 2.9Å; M372-K477 PolarHBondContact N-O 3.18Å; M372-K477 HydrophobicContact SD-CD 4.13Å; M372-K477 HydrophobicContact SD-CG 4.26Å; E373-K477 HydrophobicContact CG-CB 3.66Å; E373-K477 HydrophobicContact CG-CD 3.94Å; E373-K477 HydrophobicContact CG-CG 4.44Å; E373-K477 PolarHBondContact N-O 2.77Å; E373-K477 PolarHBondContact O-N 3.32Å; A458-K477 HydrophobicContact CB-CG 4.4Å; E459-K477 WeakPolarHBondContact O-CA 3.32Å; L460-K477 HydrophobicContact CD2-CB 3.81Å; L460-K477 HydrophobicContact CD2-CG 4.5Å; L460-K477 HydrophobicContact CG-CB 4.08Å; L460-K477 HydrophobicContact CG-CG 4.24Å
478	L	90.9	Very high	81.5	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	155.8	-179.2	61.3	86.3	0	0	0	110.8	V370 I371 V426 V446 L448 A458 E459 I476 V480	V370-L478 CarbonylContact O-C 3.59Å; V370-L478 WeakPolarHBondContact O-CA 3.47Å; V370-L478 VanDerWaalsContact O-CB 3.3Å; V370-L478 WeakPolarHBondContact O-CB 3.37Å; I371-L478 HydrophobicContact CG1-CB 4.31Å; V426-L478 HydrophobicContact CB-CD2 4.39Å; V426-L478 HydrophobicContact CG2-CD2 4.17Å; V446-L478 HydrophobicContact CG1-CD2 4.19Å; L448-L478 HydrophobicContact CD1-CD1 3.51Å; L448-L478 HydrophobicContact CD1-CD2 4.22Å; L448-L478 HydrophobicContact CD1-CG 4.46Å; A458-L478 CarbonylContact C-O 3.58Å; A458-L478 WeakPolarHBondContact CA-O 3.2Å; E459-L478 PolarHBondContact N-O 3.46Å; E459-L478 PolarHBondContact O-N 3.36Å; E459-L478 VanDerWaalsContact O-N 3.15Å; I476-L478 HydrophobicContact CD1-CD2 4.17Å; I476-L478 HydrophobicContact CG1-CD2 4.15Å; I476-L478 HydrophobicContact CG2-CD2 3.93Å; L478-V480 HydrophobicContact CD1-CG2 3.56Å
479	A	88.9	Confident	82.6	Confident	9 Å²	9	46.4 Å²	46.4	7%	0.074	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.7	164.7	0	0	0	0	0	109.7	I369 V370 A458	I369-A479 WeakPolarHBondContact CA-O 3.28Å; V370-A479 PolarHBondContact N-O 3.48Å; V370-A479 PolarHBondContact O-N 3.16Å; A458-A479 HydrophobicContact CB-CB 4.06Å
480	V	88.4	Confident	83.5	Confident	16 Å²	16	45.6 Å²	45.6	10%	0.097	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	115.3	164.1	-175.1	0	0	0	0	107.8	L367 I369 V424 L448 P450 L478	L367-V480 HydrophobicContact CD2-CG1 4.29Å; I369-V480 HydrophobicContact CG1-CG1 4.04Å; I369-V480 HydrophobicContact CG1-CG2 4.26Å; I369-V480 HydrophobicContact CG2-CG2 4.4Å; V424-V480 HydrophobicContact CG2-CG1 4.4Å; L448-V480 HydrophobicContact CD1-CG2 3.85Å; P450-V480 HydrophobicContact CB-CB 4.47Å; P450-V480 HydrophobicContact CB-CG1 3.67Å; P450-V480 HydrophobicContact CG-CG1 3.85Å; L478-V480 HydrophobicContact CD1-CG2 3.56Å
481	R	86.6	Confident	84.6	Confident	87 Å²	87	37.9 Å²	37.9	33%	0.328	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.7	173.4	-64.5	156.5	171.6	-179.6	4	108.2	L367 E368 K456	L367-R481 CarbonylContact C-O 3.48Å; L367-R481 VanDerWaalsContact CA-O 3.25Å; L367-R481 WeakPolarHBondContact CA-O 3.37Å; E368-R481 HydrophobicContact CB-CB 4.25Å; E368-R481 PolarHBondContact N-O 2.88Å; E368-R481 PolarHBondContact O-N 3.45Å; E368-R481 IonicContact OE1-CZ 2.71Å; E368-R481 IonicContact OE1-NE 3.67Å; E368-R481 IonicContact OE1-NH1 3.58Å; E368-R481 PolarHBondContact OE1-NH1 2.56Å; E368-R481 WeakPolarHBondContact OE2-CD 3.48Å; E368-R481 IonicContact OE2-CZ 2.74Å; E368-R481 IonicContact OE2-NE 3.25Å; E368-R481 IonicContact OE2-NH1 2.68Å; E368-R481 PolarHBondContact OE2-NH1 3.11Å; K456-R481 HydrophobicContact CB-CG 3.96Å; K456-R481 HydrophobicContact CD-CG 4.15Å; K456-R481 HydrophobicContact CG-CG 3.96Å; K456-R481 PolarHBondContact O-NE 3.23Å
482	M	87.5	Confident	85.2	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.025	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	114.1	178.3	179.5	174.7	178.6	0	0	106.3	F365 T366 L367 P422 P450	F365-M482 HydrophobicContact CB-CE 4.03Å; F365-M482 HydrophobicContact CD1-CE 3.34Å; F365-M482 HydrophobicContact CD1-CG 4.33Å; F365-M482 HydrophobicContact CD2-CE 4.07Å; F365-M482 HydrophobicContact CE1-CE 3.66Å; F365-M482 HydrophobicContact CE2-CE 4.36Å; F365-M482 HydrophobicContact CG-CE 3.57Å; F365-M482 HydrophobicContact CZ-CE 4.18Å; T366-M482 WeakPolarHBondContact O-CA 3.44Å; L367-M482 HydrophobicContact CD1-CB 4.45Å; L367-M482 HydrophobicContact CD1-CG 3.88Å; L367-M482 HydrophobicContact CD1-SD 4.34Å; L367-M482 HydrophobicContact CG-CB 4.01Å; L367-M482 HydrophobicContact CG-CG 4Å; P422-M482 HydrophobicContact CG-CE 4.17Å; P422-M482 HydrophobicContact CG-SD 4.11Å; P450-M482 HydrophobicContact CB-CB 4.43Å; P450-M482 HydrophobicContact CB-SD 4.34Å; P450-M482 HydrophobicContact CG-SD 4.35Å
483	D	83.3	Confident	86.2	Confident	67 Å²	67	37.2 Å²	37.2	36%	0.358	18%	0.183	S	C	.	.			trans	-80.4	149	-175.4	-67.5	-49.9	0	0	0	112	T366 K456 P485	T366-D483 PolarHBondContact O-N 3.06Å; T366-D483 PolarHBondContact OG1-OD2 3.44Å; K456-D483 IonicContact NZ-OD1 3.17Å; K456-D483 PolarHBondContact NZ-OD1 2.9Å; D483-P485 WeakPolarHBondContact O-CD 3.32Å
484	K	83.6	Confident	86.6	Confident	108 Å²	108	34.4 Å²	34.4	47%	0.47	17%	0.168	S	C	.	.			trans	-84.8	115.2	-177.2	-177.4	179.7	170.7	-177.6	0	109.3	M488 K489	K484-M488 WeakPolarHBondContact CE-O 3.36Å; K484-M488 HydrophobicContact CG-CB 4.44Å; K484-M488 HydrophobicContact CG-CG 4.37Å; K484-K489 WeakPolarHBondContact CE-O 3.25Å; K484-K489 PolarHBondContact NZ-O 3.48Å
485	P	82	Confident	86.8	Confident	23 Å²	23	36.5 Å²	36.5	15%	0.149	18%	0.176	C	C	.	.			trans	-65.7	149.3	-179.6	-20.8	34.7	0	0	0	111.6	L363 S364 F365 D483 H487 M488	L363-P485 HydrophobicContact CD2-CB 4.49Å; S364-P485 WeakPolarHBondContact O-CG 3.24Å; F365-P485 HydrophobicContact CD1-CG 3.48Å; F365-P485 VanDerWaalsContact CD1-CG 3.48Å; F365-P485 VanDerWaalsContact CE1-CD 3.49Å; F365-P485 HydrophobicContact CE1-CG 3.61Å; F365-P485 HydrophobicContact CG-CG 3.99Å; F365-P485 HydrophobicContact CZ-CG 4.18Å; D483-P485 WeakPolarHBondContact O-CD 3.32Å; P485-H487 PolarHBondContact O-N 3.48Å; P485-H487 VanDerWaalsContact O-N 3.16Å; P485-M488 HydrophobicContact CB-CB 4.38Å; P485-M488 VanDerWaalsContact O-CB 3.31Å; P485-M488 WeakPolarHBondContact O-CB 3.26Å; P485-M488 PolarHBondContact O-N 3.39Å
486	A	72.8	Confident	86.9	Confident	53 Å²	53	33.4 Å²	33.4	44%	0.438	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.4	-176.4	0	0	0	0	0	114	M488	A486-M488 VanDerWaalsContact C-N 3.27Å; A486-M488 PolarHBondContact O-N 2.9Å
487	H	78.5	Confident	86.9	Confident	58 Å²	58	36.1 Å²	36.1	27%	0.269	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.6	176.3	-60.8	-79.1	0	0	0	113.6	L363 P485 K489 V513 Q514	L363-H487 HydrophobicContact CD2-CB 3.95Å; P485-H487 PolarHBondContact O-N 3.48Å; P485-H487 VanDerWaalsContact O-N 3.16Å; H487-K489 PolarHBondContact O-N 2.88Å; H487-V513 CarbonylContact O-C 3.54Å; H487-V513 WeakPolarHBondContact O-CA 3.42Å; H487-Q514 PolarHBondContact ND1-O 3.19Å; H487-Q514 PolarHBondContact O-N 3.5Å
488	M	86.1	Confident	86.7	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	100.8	-177.3	179.1	168.3	173.5	0	0	109.9	L363 F365 S452 K484 P485 A486 S491 V511	L363-M488 HydrophobicContact CD1-CB 4.07Å; L363-M488 HydrophobicContact CD1-CG 4.22Å; L363-M488 HydrophobicContact CD1-SD 3.9Å; L363-M488 HydrophobicContact CD2-CB 4.37Å; F365-M488 HydrophobicContact CE1-CE 4.28Å; F365-M488 HydrophobicContact CE1-SD 3.47Å; F365-M488 WeakPolarHBondContact CE1-SD 3.4Å; F365-M488 HydrophobicContact CZ-SD 3.86Å; S452-M488 WeakPolarHBondContact OG-CE 3.37Å; K484-M488 WeakPolarHBondContact CE-O 3.36Å; K484-M488 HydrophobicContact CG-CB 4.44Å; K484-M488 HydrophobicContact CG-CG 4.37Å; P485-M488 HydrophobicContact CB-CB 4.38Å; P485-M488 VanDerWaalsContact O-CB 3.31Å; P485-M488 WeakPolarHBondContact O-CB 3.26Å; P485-M488 PolarHBondContact O-N 3.39Å; A486-M488 VanDerWaalsContact C-N 3.27Å; A486-M488 PolarHBondContact O-N 2.9Å; M488-S491 WeakPolarHBondContact CE-OG 3.5Å; M488-V511 HydrophobicContact CB-CG1 4.5Å; M488-V511 HydrophobicContact CE-CG1 3.9Å; M488-V511 HydrophobicContact CE-CG2 4.3Å; M488-V511 HydrophobicContact CG-CG1 3.56Å; M488-V511 HydrophobicContact SD-CG1 3.97Å
489	K	85.9	Confident	86.3	Confident	40 Å²	40	39 Å²	39	17%	0.174	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-44.1	-174.7	-61.2	-60.4	178.8	178.2	0	112.7	D267 K484 H487 L512 Q514 F520	D267-K489 WeakPolarHBondContact OD1-CE 3.44Å; D267-K489 IonicContact OD1-NZ 3.95Å; D267-K489 PolarHBondContact OD1-NZ 3.34Å; D267-K489 WeakPolarHBondContact OD2-CE 3.22Å; D267-K489 IonicContact OD2-NZ 3.74Å; D267-K489 PolarHBondContact OD2-NZ 3.31Å; K484-K489 WeakPolarHBondContact CE-O 3.25Å; K484-K489 PolarHBondContact NZ-O 3.48Å; H487-K489 PolarHBondContact O-N 2.88Å; K489-L512 HydrophobicContact CB-CB 4.48Å; K489-L512 HydrophobicContact CB-CD2 4.04Å; K489-L512 HydrophobicContact CB-CG 4.09Å; K489-L512 PolarHBondContact N-O 3.17Å; K489-Q514 HydrophobicContact CG-CB 4.21Å; K489-F520 HydrophobicContact CG-CD1 4.39Å; K489-F520 HydrophobicContact CG-CE1 4.05Å
490	H	87.9	Confident	86	Confident	22 Å²	22	44.5 Å²	44.5	10%	0.102	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	158.1	178.9	-165.7	82.4	0	0	0	111.4	V511 L512 W581 A584	H490-V511 WeakPolarHBondContact O-CA 3.46Å; H490-L512 PolarHBondContact O-N 3.09Å; H490-W581 HydrophobicContact CB-CZ3 4.48Å; H490-W581 AromaticContact CD2-CD2 3.4Å; H490-W581 AromaticContact CD2-CE2 3.39Å; H490-W581 AromaticContact CD2-CE3 3.65Å; H490-W581 AromaticContact CD2-CG 3.96Å; H490-W581 AromaticContact CD2-CH2 3.92Å; H490-W581 AromaticContact CD2-CZ2 3.7Å; H490-W581 AromaticContact CD2-CZ3 3.88Å; H490-W581 AromaticContact CD2-NE1 3.81Å; H490-W581 AromaticContact NE2-CD1 3.89Å; H490-W581 AromaticContact NE2-CD2 3.94Å; H490-W581 AromaticContact NE2-CE2 3.73Å; H490-W581 AromaticContact NE2-NE1 3.65Å; H490-A584 HydrophobicContact CB-CB 3.71Å
491	S	89.7	Confident	85.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	153.5	176.1	61.6	0	0	0	0	113.2	S452 N453 M488 Y509 F510	S452-S491 PolarHBondContact OG-OG 3.31Å; N453-S491 PolarHBondContact ND2-O 2.86Å; M488-S491 WeakPolarHBondContact CE-OG 3.5Å; S491-Y509 PolarHBondContact OG-OH 3.49Å; S491-F510 WeakPolarHBondContact CA-O 3.4Å; S491-F510 VanDerWaalsContact CB-O 3.29Å; S491-F510 WeakPolarHBondContact CB-O 3.31Å
492	G	89.1	Confident	86.1	Confident	9 Å²	9	41 Å²	41	9%	0.093	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-169.1	-175.8	0	0	0	0	0	111.4	Y509 F510 W581	G492-Y509 WeakPolarHBondContact O-CD2 3.12Å; G492-F510 PolarHBondContact N-O 3.5Å; G492-F510 VanDerWaalsContact N-O 3.1Å; G492-F510 PolarHBondContact O-N 3.21Å; G492-W581 VanDerWaalsContact N-CZ2 3.35Å
493	Y	88.6	Confident	86.1	Confident	92 Å²	92	47.7 Å²	47.7	36%	0.361	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.9	175.1	-72	-87.7	0	0	0	111.3	R421 K507 R508 Y509	R421-Y493 PolarHBondContact NE-OH 3.4Å; R421-Y493 PolarHBondContact NH1-OH 2.85Å; Y493-K507 HydrophobicContact CD1-CG 4.41Å; Y493-R508 WeakPolarHBondContact CA-O 3.32Å; Y493-Y509 HydrophobicContact CD1-CD2 4.08Å; Y493-Y509 AromaticContact CD2-CD2 3.9Å; Y493-Y509 HydrophobicContact CD2-CD2 3.9Å; Y493-Y509 HydrophobicContact CD2-CE2 4.39Å; Y493-Y509 AromaticContact CE1-CD2 3.92Å; Y493-Y509 HydrophobicContact CE1-CD2 3.92Å; Y493-Y509 HydrophobicContact CE1-CG 4.36Å; Y493-Y509 AromaticContact CE2-CD2 3.72Å; Y493-Y509 HydrophobicContact CE2-CD2 3.72Å; Y493-Y509 HydrophobicContact CE2-CE2 4.18Å; Y493-Y509 HydrophobicContact CG-CD2 4.08Å; Y493-Y509 AromaticContact CZ-CD2 3.74Å
494	L	90.6	Very high	86.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	148.1	173	-63.5	172.7	0	0	0	110.9	K507 R508 F510 M522 F559 F570 W581	L494-K507 CarbonylContact O-C 3.51Å; L494-K507 WeakPolarHBondContact O-CA 3.46Å; L494-R508 PolarHBondContact N-O 2.91Å; L494-R508 VanDerWaalsContact N-O 3.15Å; L494-R508 PolarHBondContact O-N 2.78Å; L494-F510 HydrophobicContact CB-CD2 3.71Å; L494-F510 HydrophobicContact CB-CE2 4Å; L494-F510 HydrophobicContact CD1-CD2 4.43Å; L494-F510 HydrophobicContact CG-CD2 4.42Å; L494-M522 HydrophobicContact CD1-CE 3.62Å; L494-F559 HydrophobicContact CD1-CE1 4.47Å; L494-F559 HydrophobicContact CD1-CZ 3.78Å; L494-F559 HydrophobicContact CD2-CE1 3.92Å; L494-F559 HydrophobicContact CD2-CZ 4.05Å; L494-F570 HydrophobicContact CB-CD1 4.37Å; L494-F570 HydrophobicContact CD1-CB 4.44Å; L494-F570 HydrophobicContact CD1-CD1 3.8Å; L494-F570 HydrophobicContact CD1-CE1 4.44Å; L494-F570 HydrophobicContact CD1-CG 4.37Å; L494-W581 HydrophobicContact CD1-CD2 3.75Å; L494-W581 HydrophobicContact CD1-CE3 4.14Å; L494-W581 HydrophobicContact CD1-CG 4.16Å; L494-W581 HydrophobicContact CD1-CH2 4.32Å; L494-W581 HydrophobicContact CD1-CZ2 3.91Å; L494-W581 HydrophobicContact CD1-CZ3 4.43Å; L494-W581 HydrophobicContact CD2-CG 4.21Å; L494-W581 HydrophobicContact CG-CD2 4.33Å; L494-W581 HydrophobicContact CG-CZ2 4.1Å
495	Y	91.2	Very high	86.5	Confident	45 Å²	45	51.6 Å²	51.6	18%	0.176	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	142	153.2	-67.2	-103.7	0	0	0	108.6	W505 K507 G555 F570 A571	Y495-W505 HydrophobicContact CD1-CD2 4.37Å; Y495-W505 AromaticContact CD1-CE2 3.77Å; Y495-W505 HydrophobicContact CD1-CZ2 4.19Å; Y495-W505 AromaticContact CD1-NE1 3.48Å; Y495-W505 AromaticContact CG-CZ2 3.97Å; Y495-W505 HydrophobicContact CG-CZ2 3.97Å; Y495-K507 HydrophobicContact CD1-CB 4.1Å; Y495-K507 HydrophobicContact CD2-CB 4.19Å; Y495-K507 HydrophobicContact CD2-CD 4.39Å; Y495-K507 HydrophobicContact CD2-CG 4.19Å; Y495-K507 HydrophobicContact CE1-CB 3.87Å; Y495-K507 HydrophobicContact CE2-CB 3.94Å; Y495-K507 HydrophobicContact CE2-CD 3.67Å; Y495-K507 HydrophobicContact CE2-CG 3.93Å; Y495-K507 HydrophobicContact CG-CB 4.25Å; Y495-G555 VanDerWaalsContact CE2-N 3.28Å; Y495-F570 CarbonylContact O-C 3.49Å; Y495-F570 VanDerWaalsContact O-CA 3.26Å; Y495-F570 WeakPolarHBondContact O-CA 3.11Å; Y495-A571 PolarHBondContact N-O 3.18Å; Y495-A571 PolarHBondContact O-N 2.99Å
496	A	91.2	Very high	86.8	Confident	0 Å²	0	57 Å²	57	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	141.5	178.6	0	0	0	0	0	111.9	W502 W505 R508 F510 I569 F570	A496-W502 HydrophobicContact CB-CB 4.35Å; A496-W505 WeakPolarHBondContact O-CA 3.09Å; A496-R508 PolarHBondContact O-NH1 2.74Å; A496-F510 HydrophobicContact CB-CE2 3.82Å; A496-F510 HydrophobicContact CB-CZ 3.5Å; A496-I569 WeakPolarHBondContact CA-O 3.45Å; A496-F570 HydrophobicContact CB-CD1 3.72Å; A496-F570 HydrophobicContact CB-CE1 3.8Å
497	L	90	Very high	87.7	Confident	56 Å²	56	58.3 Å²	58.3	29%	0.293	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	121.4	169.7	172	64.4	0	0	0	109.3	W502 W505 L552 V568 I569	L497-W502 WeakPolarHBondContact CA-O 3.32Å; L497-W505 HydrophobicContact CB-CB 4.48Å; L497-W505 HydrophobicContact CB-CE3 3.7Å; L497-W505 HydrophobicContact CB-CZ3 4.37Å; L497-L552 HydrophobicContact CD2-CD2 4.3Å; L497-V568 CarbonylContact O-C 3.59Å; L497-V568 WeakPolarHBondContact O-CA 3.46Å; L497-I569 PolarHBondContact N-O 3.1Å; L497-I569 PolarHBondContact O-N 3.13Å
498	G	86.9	Confident	88.3	Confident	8 Å²	8	56.9 Å²	56.9	8%	0.082	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	167.9	177	0	0	0	0	0	113.3	V501 W502 T567	G498-V501 CarbonylContact C-O 3.51Å; G498-V501 VanDerWaalsContact C-O 3.22Å; G498-V501 WeakPolarHBondContact CA-O 2.77Å; G498-V501 PolarHBondContact N-O 2.66Å; G498-W502 PolarHBondContact N-O 2.67Å; G498-T567 WeakPolarHBondContact CA-O 3.32Å
499	Q	83.7	Confident	88.5	Confident	119 Å²	119	57.1 Å²	57.1	56%	0.556	25%	0.249	S	C	*	.	S	Bend	trans	-81.5	-48.3	-177.7	-51.9	-176	13.6	0	0	111.9	K503 D566 T567	Q499-K503 WeakPolarHBondContact O-CE 3.31Å; Q499-K503 PolarHBondContact O-NZ 3.4Å; Q499-D566 WeakPolarHBondContact CB-OD1 3.46Å; Q499-T567 PolarHBondContact N-O 2.83Å
500	K	83.4	Confident	88.8	Confident	124 Å²	124	55.2 Å²	55.2	54%	0.539	24%	0.241	S	C	.	.	S	Bend	trans	-85.4	-46	176.4	-63.1	178.3	-153.1	154.3	0	112.4	K503 D566	K500-K503 WeakPolarHBondContact O-CE 3.19Å; K500-D566 VanDerWaalsContact CB-OD2 3.31Å; K500-D566 WeakPolarHBondContact CB-OD2 3.5Å; K500-D566 WeakPolarHBondContact CD-OD2 3.44Å; K500-D566 WeakPolarHBondContact CE-OD2 3.27Å; K500-D566 WeakPolarHBondContact CG-OD2 3.31Å; K500-D566 IonicContact NZ-OD2 3.74Å; K500-D566 PolarHBondContact NZ-OD2 2.73Å
501	V	84.3	Confident	88.9	Confident	29 Å²	29	54.2 Å²	54.2	18%	0.176	24%	0.236	C	C	.	.	S	Bend	trans	-112.6	157.8	-179.4	-69.4	0	0	0	0	112.4	G498 K503 M536 V568	G498-V501 CarbonylContact C-O 3.51Å; G498-V501 VanDerWaalsContact C-O 3.22Å; G498-V501 WeakPolarHBondContact CA-O 2.77Å; G498-V501 PolarHBondContact N-O 2.66Å; V501-K503 VanDerWaalsContact C-N 3.31Å; V501-K503 PolarHBondContact O-N 3.17Å; V501-M536 HydrophobicContact CG2-CB 4.13Å; V501-M536 HydrophobicContact CG2-CG 4.12Å; V501-M536 HydrophobicContact CG2-SD 3.65Å; V501-V568 HydrophobicContact CG2-CG2 4.25Å
502	W	91.1	Very high	89	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	24%	0.236	C	C	.	.			trans	51.4	42.5	176.5	-53.4	-52.1	0	0	0	114.9	A496 L497 G498 R504 F510 M522 N524 E534 M536 V568 F570	A496-W502 HydrophobicContact CB-CB 4.35Å; L497-W502 WeakPolarHBondContact CA-O 3.32Å; G498-W502 PolarHBondContact N-O 2.67Å; W502-R504 PolarHBondContact O-N 2.89Å; W502-F510 AromaticContact CD2-CE1 3.88Å; W502-F510 HydrophobicContact CD2-CE1 3.88Å; W502-F510 AromaticContact CD2-CZ 3.95Å; W502-F510 HydrophobicContact CD2-CZ 3.95Å; W502-F510 AromaticContact CE2-CE1 3.55Å; W502-F510 AromaticContact CE2-CZ 3.97Å; W502-F510 HydrophobicContact CE3-CE1 4.11Å; W502-F510 HydrophobicContact CE3-CZ 4.31Å; W502-F510 HydrophobicContact CG-CZ 4.33Å; W502-F510 AromaticContact CH2-CE1 3.81Å; W502-F510 HydrophobicContact CH2-CE1 3.81Å; W502-F510 HydrophobicContact CZ2-CD1 4.38Å; W502-F510 AromaticContact CZ2-CE1 3.55Å; W502-F510 HydrophobicContact CZ2-CE1 3.55Å; W502-F510 HydrophobicContact CZ2-CZ 4.41Å; W502-F510 HydrophobicContact CZ3-CE1 4.08Å; W502-M522 HydrophobicContact CH2-CB 4.21Å; W502-M522 HydrophobicContact CH2-CG 3.91Å; W502-M522 VanDerWaalsContact CH2-O 3.29Å; W502-M522 WeakPolarHBondContact CH2-O 3.08Å; W502-M522 HydrophobicContact CZ3-CG 4.36Å; W502-N524 HydrophobicContact CZ2-CB 4.42Å; W502-N524 PolarHBondContact NE1-OD1 3.31Å; W502-E534 VanDerWaalsContact CA-OE2 3.31Å; W502-E534 WeakPolarHBondContact CA-OE2 3.17Å; W502-E534 HydrophobicContact CZ2-CB 4.5Å; W502-E534 PolarHBondContact N-OE2 3.04Å; W502-M536 HydrophobicContact CH2-CB 3.48Å; W502-M536 VanDerWaalsContact CH2-CB 3.48Å; W502-M536 HydrophobicContact CZ2-CB 4.47Å; W502-M536 HydrophobicContact CZ3-CB 3.79Å; W502-M536 HydrophobicContact CZ3-CE 4.33Å; W502-M536 HydrophobicContact CZ3-SD 3.94Å; W502-V568 HydrophobicContact CE3-CG1 4.02Å; W502-V568 HydrophobicContact CZ3-CG1 4.4Å; W502-F570 HydrophobicContact CE3-CE1 4.49Å; W502-F570 HydrophobicContact CE3-CZ 4.45Å; W502-F570 HydrophobicContact CZ3-CE1 4.36Å; W502-F570 HydrophobicContact CZ3-CZ 4.07Å
503	K	87.7	Confident	88.9	Confident	145 Å²	145	53.9 Å²	53.9	63%	0.63	23%	0.233	S	C	*	.			trans	-61.3	17.9	-174.7	-49.9	-168.6	-175.7	-161.4	0	117.2	Q499 K500 V501	Q499-K503 WeakPolarHBondContact O-CE 3.31Å; Q499-K503 PolarHBondContact O-NZ 3.4Å; K500-K503 WeakPolarHBondContact O-CE 3.19Å; V501-K503 VanDerWaalsContact C-N 3.31Å; V501-K503 PolarHBondContact O-N 3.17Å
504	R	87.1	Confident	88.6	Confident	206 Å²	206	49.6 Å²	49.6	78%	0.777	22%	0.216	S	C	*	.	S	Bend	trans	-145.9	128.6	174.6	-64.4	-173.7	-177.3	-177.7	1.2	108.9	W502 K506 R508	W502-R504 PolarHBondContact O-N 2.89Å; R504-K506 PolarHBondContact O-N 3.48Å; R504-K506 VanDerWaalsContact O-N 3.15Å; R504-R508 PolarHBondContact O-NH1 3.22Å; R504-R508 VanDerWaalsContact O-NH1 3.12Å; R504-R508 PolarHBondContact O-NH2 2.92Å
505	W	89.8	Confident	87.8	Confident	50 Å²	50	51.1 Å²	51.1	19%	0.189	23%	0.225	C	C	.	.			trans	-59.9	114.3	172.5	-172	-113.9	0	0	0	110	Y495 A496 L497 L552 Q553 G554 F558 I569 A571	Y495-W505 HydrophobicContact CD1-CD2 4.37Å; Y495-W505 AromaticContact CD1-CE2 3.77Å; Y495-W505 HydrophobicContact CD1-CZ2 4.19Å; Y495-W505 AromaticContact CD1-NE1 3.48Å; Y495-W505 AromaticContact CG-CZ2 3.97Å; Y495-W505 HydrophobicContact CG-CZ2 3.97Å; A496-W505 WeakPolarHBondContact O-CA 3.09Å; L497-W505 HydrophobicContact CB-CB 4.48Å; L497-W505 HydrophobicContact CB-CE3 3.7Å; L497-W505 HydrophobicContact CB-CZ3 4.37Å; W505-L552 HydrophobicContact CB-CD2 4.09Å; W505-L552 HydrophobicContact CD2-CB 4.33Å; W505-L552 HydrophobicContact CD2-CD1 4.06Å; W505-L552 HydrophobicContact CD2-CD2 4.03Å; W505-L552 HydrophobicContact CD2-CG 4.37Å; W505-L552 HydrophobicContact CE3-CD1 3.97Å; W505-L552 HydrophobicContact CE3-CD2 4.5Å; W505-L552 HydrophobicContact CG-CD2 3.88Å; W505-L552 HydrophobicContact CH2-CD1 3.97Å; W505-L552 HydrophobicContact CZ2-CB 4.01Å; W505-L552 HydrophobicContact CZ2-CD1 4.09Å; W505-L552 HydrophobicContact CZ3-CD1 3.94Å; W505-Q553 PolarHBondContact NE1-O 3.1Å; W505-G554 WeakPolarHBondContact CZ2-O 3.34Å; W505-F558 HydrophobicContact CH2-CD1 4.34Å; W505-F558 AromaticContact CH2-CE1 3.74Å; W505-F558 HydrophobicContact CH2-CE1 3.74Å; W505-F558 AromaticContact CZ2-CE1 3.9Å; W505-F558 HydrophobicContact CZ2-CE1 3.9Å; W505-F558 HydrophobicContact CZ2-CZ 4.27Å; W505-I569 HydrophobicContact CZ3-CG2 4.28Å; W505-A571 HydrophobicContact CH2-CB 3.67Å; W505-A571 HydrophobicContact CZ2-CB 4.05Å
506	K	88.4	Confident	86.7	Confident	138 Å²	138	51.1 Å²	51.1	60%	0.6	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-161.2	138.1	179.2	-177	171.7	178.5	175.5	0	110.2	R504 R508	R504-K506 PolarHBondContact O-N 3.48Å; R504-K506 VanDerWaalsContact O-N 3.15Å; K506-R508 PolarHBondContact O-N 2.89Å; K506-R508 PolarHBondContact O-NH1 3.25Å
507	K	89.8	Confident	85.1	Confident	79 Å²	79	52.3 Å²	52.3	34%	0.343	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	123.1	168.6	-163	170.1	-175.9	168.3	0	110.3	Y493 L494 Y495 D573	Y493-K507 HydrophobicContact CD1-CG 4.41Å; L494-K507 CarbonylContact O-C 3.51Å; L494-K507 WeakPolarHBondContact O-CA 3.46Å; Y495-K507 HydrophobicContact CD1-CB 4.1Å; Y495-K507 HydrophobicContact CD2-CB 4.19Å; Y495-K507 HydrophobicContact CD2-CD 4.39Å; Y495-K507 HydrophobicContact CD2-CG 4.19Å; Y495-K507 HydrophobicContact CE1-CB 3.87Å; Y495-K507 HydrophobicContact CE2-CB 3.94Å; Y495-K507 HydrophobicContact CE2-CD 3.67Å; Y495-K507 HydrophobicContact CE2-CG 3.93Å; Y495-K507 HydrophobicContact CG-CB 4.25Å; K507-D573 WeakPolarHBondContact CE-OD2 3.4Å; K507-D573 IonicContact NZ-OD2 2.69Å; K507-D573 PolarHBondContact NZ-OD2 2.94Å
508	R	91.8	Very high	83.7	Confident	29 Å²	29	50.9 Å²	50.9	11%	0.109	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.8	178.2	-59.9	167.3	-179.4	89.6	-12.7	108.5	Y493 L494 A496 R504 K506 F510 N524	Y493-R508 WeakPolarHBondContact CA-O 3.32Å; L494-R508 PolarHBondContact N-O 2.91Å; L494-R508 VanDerWaalsContact N-O 3.15Å; L494-R508 PolarHBondContact O-N 2.78Å; A496-R508 PolarHBondContact O-NH1 2.74Å; R504-R508 PolarHBondContact O-NH1 3.22Å; R504-R508 VanDerWaalsContact O-NH1 3.12Å; R504-R508 PolarHBondContact O-NH2 2.92Å; K506-R508 PolarHBondContact O-N 2.89Å; K506-R508 PolarHBondContact O-NH1 3.25Å; R508-F510 HydrophobicContact CB-CD2 4.06Å; R508-F510 HydrophobicContact CB-CE2 3.65Å; R508-F510 HydrophobicContact CB-CZ 4.26Å; R508-F510 HydrophobicContact CG-CE2 4.42Å; R508-F510 WeakPolarHBondContact O-CD2 3.22Å; R508-N524 HydrophobicContact CB-CB 4.4Å
509	Y	90.1	Very high	83.1	Confident	8 Å²	8	51.8 Å²	51.8	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.3	167.7	-168.2	-105.4	0	0	0	108.9	R421 T451 S491 G492 Y493 V511 N524 Y525	R421-Y509 HydrophobicContact CG-CD1 3.8Å; R421-Y509 HydrophobicContact CG-CE1 3.91Å; R421-Y509 HydrophobicContact CG-CG 4.19Å; T451-Y509 HydrophobicContact CG2-CE2 4.2Å; S491-Y509 PolarHBondContact OG-OH 3.49Å; G492-Y509 WeakPolarHBondContact O-CD2 3.12Å; Y493-Y509 HydrophobicContact CD1-CD2 4.08Å; Y493-Y509 AromaticContact CD2-CD2 3.9Å; Y493-Y509 HydrophobicContact CD2-CD2 3.9Å; Y493-Y509 HydrophobicContact CD2-CE2 4.39Å; Y493-Y509 AromaticContact CE1-CD2 3.92Å; Y493-Y509 HydrophobicContact CE1-CD2 3.92Å; Y493-Y509 HydrophobicContact CE1-CG 4.36Å; Y493-Y509 AromaticContact CE2-CD2 3.72Å; Y493-Y509 HydrophobicContact CE2-CD2 3.72Å; Y493-Y509 HydrophobicContact CE2-CE2 4.18Å; Y493-Y509 HydrophobicContact CG-CD2 4.08Å; Y493-Y509 AromaticContact CZ-CD2 3.74Å; Y509-V511 HydrophobicContact CD1-CG2 4.14Å; Y509-V511 HydrophobicContact CE1-CG2 3.75Å; Y509-N524 WeakPolarHBondContact O-CA 3.49Å; Y509-Y525 PolarHBondContact O-N 3.25Å
510	F	91.9	Very high	83.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.9	-177.7	-79.4	-86.8	0	0	0	110.9	S491 G492 L494 A496 W502 R508 M522 C523 N524 F570 W581	S491-F510 WeakPolarHBondContact CA-O 3.4Å; S491-F510 VanDerWaalsContact CB-O 3.29Å; S491-F510 WeakPolarHBondContact CB-O 3.31Å; G492-F510 PolarHBondContact N-O 3.5Å; G492-F510 VanDerWaalsContact N-O 3.1Å; G492-F510 PolarHBondContact O-N 3.21Å; L494-F510 HydrophobicContact CB-CD2 3.71Å; L494-F510 HydrophobicContact CB-CE2 4Å; L494-F510 HydrophobicContact CD1-CD2 4.43Å; L494-F510 HydrophobicContact CG-CD2 4.42Å; A496-F510 HydrophobicContact CB-CE2 3.82Å; A496-F510 HydrophobicContact CB-CZ 3.5Å; W502-F510 AromaticContact CD2-CE1 3.88Å; W502-F510 HydrophobicContact CD2-CE1 3.88Å; W502-F510 AromaticContact CD2-CZ 3.95Å; W502-F510 HydrophobicContact CD2-CZ 3.95Å; W502-F510 AromaticContact CE2-CE1 3.55Å; W502-F510 AromaticContact CE2-CZ 3.97Å; W502-F510 HydrophobicContact CE3-CE1 4.11Å; W502-F510 HydrophobicContact CE3-CZ 4.31Å; W502-F510 HydrophobicContact CG-CZ 4.33Å; W502-F510 AromaticContact CH2-CE1 3.81Å; W502-F510 HydrophobicContact CH2-CE1 3.81Å; W502-F510 HydrophobicContact CZ2-CD1 4.38Å; W502-F510 AromaticContact CZ2-CE1 3.55Å; W502-F510 HydrophobicContact CZ2-CE1 3.55Å; W502-F510 HydrophobicContact CZ2-CZ 4.41Å; W502-F510 HydrophobicContact CZ3-CE1 4.08Å; R508-F510 HydrophobicContact CB-CD2 4.06Å; R508-F510 HydrophobicContact CB-CE2 3.65Å; R508-F510 HydrophobicContact CB-CZ 4.26Å; R508-F510 HydrophobicContact CG-CE2 4.42Å; R508-F510 WeakPolarHBondContact O-CD2 3.22Å; F510-M522 HydrophobicContact CB-CE 3.81Å; F510-M522 HydrophobicContact CB-SD 4.11Å; F510-M522 HydrophobicContact CD1-CE 3.62Å; F510-M522 HydrophobicContact CD1-CG 3.94Å; F510-M522 HydrophobicContact CD1-SD 3.79Å; F510-M522 HydrophobicContact CE1-CE 4.31Å; F510-M522 HydrophobicContact CE1-CG 4.29Å; F510-M522 HydrophobicContact CG-CE 3.82Å; F510-M522 HydrophobicContact CG-SD 4.33Å; F510-C523 WeakPolarHBondContact CA-O 3.31Å; F510-N524 HydrophobicContact CD1-CB 3.93Å; F510-N524 HydrophobicContact CE1-CB 3.81Å; F510-N524 HydrophobicContact CG-CB 4.48Å; F510-N524 HydrophobicContact CZ-CB 4.23Å; F510-F570 HydrophobicContact CE1-CE1 4.16Å; F510-F570 HydrophobicContact CZ-CE1 4.14Å; F510-W581 HydrophobicContact CB-CH2 3.69Å; F510-W581 HydrophobicContact CB-CZ2 4.02Å
511	V	91.1	Very high	83.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.2	172.4	-173	0	0	0	0	108.3	L363 P420 M488 H490 Y509 V513 C523 Y525	L363-V511 HydrophobicContact CD1-CG1 3.94Å; P420-V511 HydrophobicContact CB-CG2 4.24Å; M488-V511 HydrophobicContact CB-CG1 4.5Å; M488-V511 HydrophobicContact CE-CG1 3.9Å; M488-V511 HydrophobicContact CE-CG2 4.3Å; M488-V511 HydrophobicContact CG-CG1 3.56Å; M488-V511 HydrophobicContact SD-CG1 3.97Å; H490-V511 WeakPolarHBondContact O-CA 3.46Å; Y509-V511 HydrophobicContact CD1-CG2 4.14Å; Y509-V511 HydrophobicContact CE1-CG2 3.75Å; V511-V513 HydrophobicContact CB-CG2 4.44Å; V511-V513 HydrophobicContact CG1-CG2 3.99Å; V511-C523 PolarHBondContact N-O 3Å; V511-C523 PolarHBondContact O-N 3.25Å; V511-Y525 HydrophobicContact CB-CD2 4.12Å; V511-Y525 HydrophobicContact CB-CE2 3.84Å; V511-Y525 HydrophobicContact CG2-CD2 3.73Å; V511-Y525 HydrophobicContact CG2-CE2 3.92Å
512	L	90.6	Very high	83.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	112.8	169.9	178.1	60.9	0	0	0	108.9	K489 H490 F520 L538 W581 A584 M585 A588	K489-L512 HydrophobicContact CB-CB 4.48Å; K489-L512 HydrophobicContact CB-CD2 4.04Å; K489-L512 HydrophobicContact CB-CG 4.09Å; K489-L512 PolarHBondContact N-O 3.17Å; H490-L512 PolarHBondContact O-N 3.09Å; L512-F520 HydrophobicContact CD1-CB 4.25Å; L512-L538 HydrophobicContact CD1-CD1 3.53Å; L512-W581 HydrophobicContact CB-CZ3 4.21Å; L512-A584 HydrophobicContact CD2-CB 3.87Å; L512-A584 WeakPolarHBondContact CD2-O 3.32Å; L512-M585 HydrophobicContact CD2-CG 4.39Å; L512-A588 HydrophobicContact CD1-CB 4.27Å; L512-A588 HydrophobicContact CD2-CB 4.21Å
513	V	87.6	Confident	83.8	Confident	3 Å²	3	39 Å²	39	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.6	-176.3	-174.8	0	0	0	0	110	V361 L363 H487 V511 V515 F520 A521 C523	V361-V513 HydrophobicContact CB-CG1 4.47Å; V361-V513 HydrophobicContact CG1-CB 4.43Å; V361-V513 HydrophobicContact CG1-CG1 4.23Å; L363-V513 HydrophobicContact CD1-CG2 4.21Å; L363-V513 HydrophobicContact CD2-CG1 4.2Å; H487-V513 CarbonylContact O-C 3.54Å; H487-V513 WeakPolarHBondContact O-CA 3.42Å; V511-V513 HydrophobicContact CB-CG2 4.44Å; V511-V513 HydrophobicContact CG1-CG2 3.99Å; V513-V515 HydrophobicContact CG1-CG2 4.16Å; V513-F520 CarbonylContact O-C 3.32Å; V513-F520 WeakPolarHBondContact O-CA 3.48Å; V513-A521 PolarHBondContact N-O 3.05Å; V513-A521 PolarHBondContact O-N 3.17Å; V513-C523 HydrophobicContact CG2-CB 4.39Å
514	Q	82.7	Confident	84	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.5	168.1	-178	177.8	48.6	0	0	108.6	D267 H487 K489 S516 F520	D267-Q514 PolarHBondContact OD1-NE2 2.69Å; H487-Q514 PolarHBondContact ND1-O 3.19Å; H487-Q514 PolarHBondContact O-N 3.5Å; K489-Q514 HydrophobicContact CG-CB 4.21Å; Q514-S516 WeakPolarHBondContact CG-O 3.26Å; Q514-F520 HydrophobicContact CB-CD1 3.86Å; Q514-F520 HydrophobicContact CB-CE1 3.68Å; Q514-F520 HydrophobicContact CG-CD1 4.15Å; Q514-F520 HydrophobicContact CG-CE1 3.67Å; Q514-F520 HydrophobicContact CG-CZ 4.02Å; Q514-F520 VanDerWaalsContact NE2-CZ 3.3Å
515	V	74.6	Confident	84	Confident	31 Å²	31	22.8 Å²	22.8	19%	0.188	11%	0.108	C	C	.	.	S	Bend	trans	-90.7	-46.6	-174.7	-173	0	0	0	0	110.9	L356 D360 V361 V513 T519 A521	L356-V515 HydrophobicContact CD1-CB 4.27Å; L356-V515 HydrophobicContact CD1-CG1 4.41Å; L356-V515 HydrophobicContact CD1-CG2 3.88Å; L356-V515 HydrophobicContact CD2-CB 4.46Å; L356-V515 HydrophobicContact CD2-CG1 3.83Å; D360-V515 HydrophobicContact CB-CG1 3.89Å; D360-V515 WeakPolarHBondContact O-CG1 3.43Å; V361-V515 HydrophobicContact CG1-CG2 3.48Å; V361-V515 VanDerWaalsContact CG1-CG2 3.48Å; V513-V515 HydrophobicContact CG1-CG2 4.16Å; V515-T519 WeakPolarHBondContact CB-O 3.37Å; V515-T519 PolarHBondContact N-O 3.38Å; V515-A521 HydrophobicContact CG2-CB 4.18Å
516	S	66.8	Low	83.8	Confident	45 Å²	45	27.5 Å²	27.5	32%	0.315	13%	0.125	S	C	.	.	S	Bend	trans	-118.9	178.3	161.4	78.7	0	0	0	0	108.2	Q514 Y518 T519	Q514-S516 WeakPolarHBondContact CG-O 3.26Å; S516-Y518 PolarHBondContact O-N 3.49Å; S516-Y518 PolarHBondContact OG-N 2.82Å; S516-T519 PolarHBondContact N-O 2.93Å; S516-T519 WeakPolarHBondContact OG-CB 3.49Å; S516-T519 PolarHBondContact OG-N 2.85Å; S516-T519 PolarHBondContact OG-OG1 3.29Å
517	Q	57.6	Low	83.5	Confident	25 Å²	25	25 Å²	25	12%	0.117	12%	0.116	C	C	.	.	S	Bend	trans	-57	-21.9	174.1	-177.9	174.6	-27.9	0	0	113.3	L320 L323 V325 F520	L320-Q517 VanDerWaalsContact O-CD 3.26Å; L320-Q517 PolarHBondContact O-NE2 3.2Å; L320-Q517 PolarHBondContact O-OE1 3.34Å; L323-Q517 PolarHBondContact O-OE1 2.9Å; V325-Q517 HydrophobicContact CG2-CB 3.84Å; Q517-F520 WeakPolarHBondContact O-CE2 3.4Å
518	Y	61	Low	82.9	Confident	26 Å²	26	27 Å²	27	10%	0.102	12%	0.124	C	C	.	.	S	Bend	trans	-114.7	-36.2	-173.7	-80.2	-127.4	0	0	0	113.2	R274 M317 L320 E321 S516 F520	R274-Y518 HydrophobicContact CG-CE1 4.06Å; M317-Y518 HydrophobicContact CE-CD1 4.43Å; M317-Y518 HydrophobicContact CE-CE1 3.77Å; M317-Y518 PolarHBondContact O-OH 2.88Å; M317-Y518 HydrophobicContact SD-CE1 4.16Å; L320-Y518 WeakPolarHBondContact CB-OH 3.41Å; L320-Y518 VanDerWaalsContact CD2-OH 3.24Å; L320-Y518 WeakPolarHBondContact CD2-OH 3.5Å; L320-Y518 HydrophobicContact CG-CE2 4.02Å; L320-Y518 WeakPolarHBondContact CG-OH 3.21Å; E321-Y518 HydrophobicContact CB-CD2 4.3Å; E321-Y518 HydrophobicContact CB-CE2 4.09Å; E321-Y518 HydrophobicContact CG-CD1 3.73Å; E321-Y518 HydrophobicContact CG-CD2 3.55Å; E321-Y518 HydrophobicContact CG-CE1 3.6Å; E321-Y518 HydrophobicContact CG-CE2 3.49Å; E321-Y518 VanDerWaalsContact CG-CE2 3.49Å; E321-Y518 HydrophobicContact CG-CG 3.68Å; E321-Y518 VanDerWaalsContact CG-CZ 3.46Å; E321-Y518 PolarHBondContact N-OH 3.42Å; S516-Y518 PolarHBondContact O-N 3.49Å; S516-Y518 PolarHBondContact OG-N 2.82Å; Y518-F520 WeakPolarHBondContact O-CD2 3.31Å; Y518-F520 PolarHBondContact O-N 2.81Å
519	T	73.8	Confident	82.4	Confident	28 Å²	28	31.4 Å²	31.4	17%	0.172	14%	0.144	C	C	.	.			trans	-87.6	98.5	-174	-35.1	0	0	0	0	109.2	L356 V515 S516	L356-T519 HydrophobicContact CD1-CG2 3.65Å; L356-T519 HydrophobicContact CD2-CG2 4.36Å; L356-T519 HydrophobicContact CG-CG2 4.09Å; V515-T519 WeakPolarHBondContact CB-O 3.37Å; V515-T519 PolarHBondContact N-O 3.38Å; S516-T519 PolarHBondContact N-O 2.93Å; S516-T519 WeakPolarHBondContact OG-CB 3.49Å; S516-T519 PolarHBondContact OG-N 2.85Å; S516-T519 PolarHBondContact OG-OG1 3.29Å
520	F	86.1	Confident	82	Confident	5 Å²	5	32.5 Å²	32.5	2%	0.022	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.6	174	-64.8	-94.9	0	0	0	110.6	K489 L512 V513 Q514 Q517 Y518 L538 A588	K489-F520 HydrophobicContact CG-CD1 4.39Å; K489-F520 HydrophobicContact CG-CE1 4.05Å; L512-F520 HydrophobicContact CD1-CB 4.25Å; V513-F520 CarbonylContact O-C 3.32Å; V513-F520 WeakPolarHBondContact O-CA 3.48Å; Q514-F520 HydrophobicContact CB-CD1 3.86Å; Q514-F520 HydrophobicContact CB-CE1 3.68Å; Q514-F520 HydrophobicContact CG-CD1 4.15Å; Q514-F520 HydrophobicContact CG-CE1 3.67Å; Q514-F520 HydrophobicContact CG-CZ 4.02Å; Q514-F520 VanDerWaalsContact NE2-CZ 3.3Å; Q517-F520 WeakPolarHBondContact O-CE2 3.4Å; Y518-F520 WeakPolarHBondContact O-CD2 3.31Å; Y518-F520 PolarHBondContact O-N 2.81Å; F520-L538 HydrophobicContact CB-CB 4.47Å; F520-L538 PolarHBondContact O-N 2.81Å; F520-A588 HydrophobicContact CB-CB 3.61Å; F520-A588 HydrophobicContact CD1-CB 3.62Å; F520-A588 HydrophobicContact CD2-CB 3.76Å; F520-A588 VanDerWaalsContact CD2-O 3.3Å; F520-A588 WeakPolarHBondContact CD2-O 3.28Å; F520-A588 HydrophobicContact CE1-CB 4.17Å; F520-A588 HydrophobicContact CE2-CB 4.33Å; F520-A588 HydrophobicContact CG-CB 3.38Å; F520-A588 HydrophobicContact CZ-CB 4.5Å
521	A	88.2	Confident	81.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126	178.3	0	0	0	0	0	110.7	L356 V361 V513 V515 M536	L356-A521 HydrophobicContact CD1-CB 4.18Å; V361-A521 HydrophobicContact CG1-CB 3.94Å; V513-A521 PolarHBondContact N-O 3.05Å; V513-A521 PolarHBondContact O-N 3.17Å; V515-A521 HydrophobicContact CG2-CB 4.18Å; A521-M536 CarbonylContact C-O 3.37Å; A521-M536 WeakPolarHBondContact CA-O 3.29Å
522	M	91.7	Very high	81.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	109.8	167.5	-178	57.1	151.2	0	0	108	L494 W502 F510 L535 M536 L538 F570 W581 M585	L494-M522 HydrophobicContact CD1-CE 3.62Å; W502-M522 HydrophobicContact CH2-CB 4.21Å; W502-M522 HydrophobicContact CH2-CG 3.91Å; W502-M522 VanDerWaalsContact CH2-O 3.29Å; W502-M522 WeakPolarHBondContact CH2-O 3.08Å; W502-M522 HydrophobicContact CZ3-CG 4.36Å; F510-M522 HydrophobicContact CB-CE 3.81Å; F510-M522 HydrophobicContact CB-SD 4.11Å; F510-M522 HydrophobicContact CD1-CE 3.62Å; F510-M522 HydrophobicContact CD1-CG 3.94Å; F510-M522 HydrophobicContact CD1-SD 3.79Å; F510-M522 HydrophobicContact CE1-CE 4.31Å; F510-M522 HydrophobicContact CE1-CG 4.29Å; F510-M522 HydrophobicContact CG-CE 3.82Å; F510-M522 HydrophobicContact CG-SD 4.33Å; M522-L535 CarbonylContact O-C 3.57Å; M522-L535 WeakPolarHBondContact O-CA 3.25Å; M522-M536 PolarHBondContact N-O 3.06Å; M522-M536 PolarHBondContact O-N 2.87Å; M522-L538 HydrophobicContact CB-CD2 3.99Å; M522-L538 HydrophobicContact CB-CG 4.34Å; M522-F570 HydrophobicContact CE-CD1 4.37Å; M522-F570 HydrophobicContact CE-CE1 3.8Å; M522-F570 HydrophobicContact CE-CZ 4.19Å; M522-F570 HydrophobicContact CG-CZ 4.32Å; M522-W581 HydrophobicContact CE-CE3 3.99Å; M522-W581 HydrophobicContact CE-CH2 3.84Å; M522-W581 HydrophobicContact CE-CZ3 3.47Å; M522-W581 VanDerWaalsContact CE-CZ3 3.47Å; M522-W581 HydrophobicContact SD-CH2 4.18Å; M522-W581 HydrophobicContact SD-CZ3 3.78Å; M522-M585 HydrophobicContact CE-SD 4.31Å
523	C	91.4	Very high	81	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.8	-168.2	-71.6	0	0	0	0	110.9	F510 V511 V513 Y525 P532 L535	F510-C523 WeakPolarHBondContact CA-O 3.31Å; V511-C523 PolarHBondContact N-O 3Å; V511-C523 PolarHBondContact O-N 3.25Å; V513-C523 HydrophobicContact CG2-CB 4.39Å; C523-Y525 HydrophobicContact CB-CD2 4.29Å; C523-Y525 HydrophobicContact CB-CE2 3.38Å; C523-P532 HydrophobicContact CB-CB 3.99Å; C523-P532 HydrophobicContact CB-CG 4.41Å; C523-L535 HydrophobicContact CB-CB 4.47Å; C523-L535 VanDerWaalsContact SG-CB 3.57Å
524	N	91.5	Very high	81	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.8	175.6	107.5	-105.3	0	0	0	111.6	W502 R508 Y509 F510 P532 Q533 E534	W502-N524 HydrophobicContact CZ2-CB 4.42Å; W502-N524 PolarHBondContact NE1-OD1 3.31Å; R508-N524 HydrophobicContact CB-CB 4.4Å; Y509-N524 WeakPolarHBondContact O-CA 3.49Å; F510-N524 HydrophobicContact CD1-CB 3.93Å; F510-N524 HydrophobicContact CE1-CB 3.81Å; F510-N524 HydrophobicContact CG-CB 4.48Å; F510-N524 HydrophobicContact CZ-CB 4.23Å; N524-P532 CarbonylContact O-C 3.56Å; N524-P532 WeakPolarHBondContact O-CA 3.25Å; N524-P532 WeakPolarHBondContact O-CB 3.29Å; N524-Q533 PolarHBondContact O-N 2.81Å; N524-E534 PolarHBondContact N-O 2.98Å; N524-E534 WeakPolarHBondContact OD1-CB 3.34Å; N524-E534 PolarHBondContact OD1-N 3.35Å
525	Y	88.1	Confident	81.3	Confident	7 Å²	7	44.8 Å²	44.8	3%	0.027	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	161.3	-174.8	-66.6	-92.5	0	0	0	112.6	V361 P420 Y509 V511 C523 S530 P532	V361-Y525 PolarHBondContact O-OH 3.19Å; P420-Y525 HydrophobicContact CB-CD2 4.47Å; P420-Y525 HydrophobicContact CB-CG 4.28Å; P420-Y525 HydrophobicContact CG-CD1 3.67Å; P420-Y525 HydrophobicContact CG-CD2 4.16Å; P420-Y525 HydrophobicContact CG-CE1 3.82Å; P420-Y525 HydrophobicContact CG-CE2 4.3Å; P420-Y525 HydrophobicContact CG-CG 3.84Å; Y509-Y525 PolarHBondContact O-N 3.25Å; V511-Y525 HydrophobicContact CB-CD2 4.12Å; V511-Y525 HydrophobicContact CB-CE2 3.84Å; V511-Y525 HydrophobicContact CG2-CD2 3.73Å; V511-Y525 HydrophobicContact CG2-CE2 3.92Å; C523-Y525 HydrophobicContact CB-CD2 4.29Å; C523-Y525 HydrophobicContact CB-CE2 3.38Å; Y525-S530 VanDerWaalsContact CE1-O 3.3Å; Y525-S530 WeakPolarHBondContact CE1-O 3.35Å; Y525-P532 HydrophobicContact CD1-CB 4.21Å; Y525-P532 HydrophobicContact CE1-CB 3.86Å; Y525-P532 HydrophobicContact CE1-CG 4.27Å; Y525-P532 HydrophobicContact CE2-CB 4.27Å
526	R	84.6	Confident	82	Confident	148 Å²	148	43.7 Å²	43.7	56%	0.558	21%	0.205	S	C	*	.			trans	-115.4	162	169.9	-68.7	-169.3	-178.2	-173.6	5.2	109.8	K529 Q533	R526-K529 HydrophobicContact CB-CG 4.47Å; R526-Q533 VanDerWaalsContact CZ-OE1 3.23Å; R526-Q533 VanDerWaalsContact NH2-CD 3.28Å
527	E	82.2	Confident	82.9	Confident	86 Å²	86	44 Å²	44	40%	0.402	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	140.1	171.3	-67.3	163.9	-156.7	0	0	110.6	R421 Y449 K529	R421-E527 VanDerWaalsContact CZ-CG 3.42Å; R421-E527 IonicContact CZ-OE1 3.25Å; R421-E527 IonicContact NH1-OE1 3.26Å; R421-E527 PolarHBondContact NH1-OE1 2.82Å; R421-E527 VanDerWaalsContact NH2-CD 3.34Å; R421-E527 IonicContact NH2-OE1 3.45Å; R421-E527 PolarHBondContact NH2-OE1 3.48Å; Y449-E527 HydrophobicContact CD1-CG 4.4Å; Y449-E527 HydrophobicContact CE1-CG 4.38Å; E527-K529 VanDerWaalsContact C-N 3.29Å; E527-K529 PolarHBondContact O-N 3.32Å
528	K	77.6	Confident	84.2	Confident	120 Å²	120	43 Å²	43	52%	0.522	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	37.6	177.8	-47.8	174	-171.8	171.6	0	113.4	R421 V423	R421-K528 PolarHBondContact O-N 2.85Å; V423-K528 HydrophobicContact CG2-CD 4.3Å; V423-K528 HydrophobicContact CG2-CG 3.74Å
529	K	82.3	Confident	85.1	Confident	122 Å²	122	47.2 Å²	47.2	53%	0.53	22%	0.217	S	C	.	.			trans	-140.5	133.4	175.1	-73.7	-62.8	-179.4	-177.7	0	111.7	R526 E527	R526-K529 HydrophobicContact CB-CG 4.47Å; E527-K529 VanDerWaalsContact C-N 3.29Å; E527-K529 PolarHBondContact O-N 3.32Å
530	S	79.8	Confident	85.1	Confident	31 Å²	31	48.5 Å²	48.5	22%	0.217	24%	0.235	C	C	.	.	S	Bend	trans	-83.2	-37.7	176.4	45.4	0	0	0	0	112.2	T418 H419 Y525	T418-S530 WeakPolarHBondContact O-CA 3.48Å; H419-S530 PolarHBondContact CD2-N 2.76Å; H419-S530 PolarHBondContact NE2-N 3.42Å; Y525-S530 VanDerWaalsContact CE1-O 3.3Å; Y525-S530 WeakPolarHBondContact CE1-O 3.35Å
531	E	82	Confident	85.1	Confident	106 Å²	106	49.1 Å²	49.1	50%	0.495	24%	0.238	S	C	.	.	S	Bend	trans	-83.1	146.4	176.2	-67.1	175.6	-160.6	0	0	112.5	K358	K358-E531 HydrophobicContact CB-CG 4.4Å
532	P	86.1	Confident	84.9	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.013	25%	0.25	C	S	.	.			trans	-73.1	149.9	170.8	30.6	-34.1	0	0	0	112.4	K358 V361 C523 N524 Y525 L535	K358-P532 WeakPolarHBondContact CE-O 3.1Å; K358-P532 PolarHBondContact NZ-O 3.33Å; V361-P532 HydrophobicContact CG2-CG 3.62Å; C523-P532 HydrophobicContact CB-CB 3.99Å; C523-P532 HydrophobicContact CB-CG 4.41Å; N524-P532 CarbonylContact O-C 3.56Å; N524-P532 WeakPolarHBondContact O-CA 3.25Å; N524-P532 WeakPolarHBondContact O-CB 3.29Å; Y525-P532 HydrophobicContact CD1-CB 4.21Å; Y525-P532 HydrophobicContact CE1-CB 3.86Å; Y525-P532 HydrophobicContact CE1-CG 4.27Å; Y525-P532 HydrophobicContact CE2-CB 4.27Å; P532-L535 HydrophobicContact CG-CB 4.4Å; P532-L535 HydrophobicContact CG-CD2 4.07Å
533	Q	85.2	Confident	84.8	Confident	66 Å²	66	51.2 Å²	51.2	31%	0.308	25%	0.25	S	S	.	.	S	Bend	trans	-69.4	-54.1	174.2	176.3	-172.5	-36.5	0	0	110.8	K358 N524 R526	K358-Q533 PolarHBondContact NZ-O 3.28Å; N524-Q533 PolarHBondContact O-N 2.81Å; R526-Q533 VanDerWaalsContact CZ-OE1 3.23Å; R526-Q533 VanDerWaalsContact NH2-CD 3.28Å
534	E	86.9	Confident	84.7	Confident	56 Å²	56	53.2 Å²	53.2	26%	0.262	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	144.6	176.5	-72.4	151.6	-117.6	0	0	107	W502 N524	W502-E534 VanDerWaalsContact CA-OE2 3.31Å; W502-E534 WeakPolarHBondContact CA-OE2 3.17Å; W502-E534 HydrophobicContact CZ2-CB 4.5Å; W502-E534 PolarHBondContact N-OE2 3.04Å; N524-E534 PolarHBondContact N-O 2.98Å; N524-E534 WeakPolarHBondContact OD1-CB 3.34Å; N524-E534 PolarHBondContact OD1-N 3.35Å
535	L	89	Confident	84.5	Confident	33 Å²	33	54.7 Å²	54.7	17%	0.173	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.1	176.8	67	82.7	0	0	0	110.1	K358 V361 M522 C523 P532	K358-L535 HydrophobicContact CG-CD2 4.29Å; V361-L535 HydrophobicContact CG2-CD2 3.93Å; M522-L535 CarbonylContact O-C 3.57Å; M522-L535 WeakPolarHBondContact O-CA 3.25Å; C523-L535 HydrophobicContact CB-CB 4.47Å; C523-L535 VanDerWaalsContact SG-CB 3.57Å; P532-L535 HydrophobicContact CG-CB 4.4Å; P532-L535 HydrophobicContact CG-CD2 4.07Å
536	M	89.4	Confident	84.4	Confident	9 Å²	9	55.7 Å²	55.7	4%	0.044	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	124.3	176.6	-172.4	175.8	85	0	0	109.5	V501 W502 A521 M522 L538 Y541 A561 V568	V501-M536 HydrophobicContact CG2-CB 4.13Å; V501-M536 HydrophobicContact CG2-CG 4.12Å; V501-M536 HydrophobicContact CG2-SD 3.65Å; W502-M536 HydrophobicContact CH2-CB 3.48Å; W502-M536 VanDerWaalsContact CH2-CB 3.48Å; W502-M536 HydrophobicContact CZ2-CB 4.47Å; W502-M536 HydrophobicContact CZ3-CB 3.79Å; W502-M536 HydrophobicContact CZ3-CE 4.33Å; W502-M536 HydrophobicContact CZ3-SD 3.94Å; A521-M536 CarbonylContact C-O 3.37Å; A521-M536 WeakPolarHBondContact CA-O 3.29Å; M522-M536 PolarHBondContact N-O 3.06Å; M522-M536 PolarHBondContact O-N 2.87Å; M536-L538 HydrophobicContact CE-CD2 3.48Å; M536-L538 VanDerWaalsContact CE-CD2 3.48Å; M536-Y541 HydrophobicContact CE-CD1 4.39Å; M536-Y541 HydrophobicContact CE-CE1 4.16Å; M536-Y541 HydrophobicContact CG-CE2 4.34Å; M536-Y541 HydrophobicContact SD-CE1 4.15Å; M536-Y541 HydrophobicContact SD-CE2 4.45Å; M536-A561 HydrophobicContact CE-CB 4.36Å; M536-V568 HydrophobicContact CE-CG2 4.19Å; M536-V568 HydrophobicContact SD-CB 4.46Å; M536-V568 HydrophobicContact SD-CG2 3.55Å; M536-V568 VanDerWaalsContact SD-CG2 3.55Å
537	Q	86	Confident	84.1	Confident	52 Å²	52	54.7 Å²	54.7	24%	0.243	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	135.3	169.2	-49.4	-164.7	21.7	0	0	109	L356 E539 Y541	L356-Q537 HydrophobicContact CD1-CG 4.19Å; L356-Q537 HydrophobicContact CG-CG 4.5Å; L356-Q537 VanDerWaalsContact N-NE2 3.19Å; Q537-E539 VanDerWaalsContact C-N 3.31Å; Q537-Y541 WeakPolarHBondContact O-CD2 3.45Å; Q537-Y541 WeakPolarHBondContact O-CE2 3.28Å
538	L	85.1	Confident	83.9	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	29%	0.287	C	S	.	.			trans	-88.9	5.3	179.7	-63	-172	0	0	0	113.6	L512 F520 M522 M536 G540 Y541 M585 A588 T589	L512-L538 HydrophobicContact CD1-CD1 3.53Å; F520-L538 HydrophobicContact CB-CB 4.47Å; F520-L538 PolarHBondContact O-N 2.81Å; M522-L538 HydrophobicContact CB-CD2 3.99Å; M522-L538 HydrophobicContact CB-CG 4.34Å; M536-L538 HydrophobicContact CE-CD2 3.48Å; M536-L538 VanDerWaalsContact CE-CD2 3.48Å; L538-G540 PolarHBondContact O-N 2.83Å; L538-Y541 PolarHBondContact O-N 3.39Å; L538-Y541 VanDerWaalsContact O-N 3.16Å; L538-M585 HydrophobicContact CD1-CE 4.26Å; L538-M585 HydrophobicContact CD1-CG 4.2Å; L538-M585 HydrophobicContact CD2-CE 4.06Å; L538-A588 HydrophobicContact CD1-CB 3.96Å; L538-T589 HydrophobicContact CB-CG2 4.23Å
539	E	80.2	Confident	83.7	Confident	116 Å²	116	53 Å²	53	54%	0.542	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	124.3	-178.8	-167.9	174.1	147.2	0	0	111.7	Q537 Y541 K563	Q537-E539 VanDerWaalsContact C-N 3.31Å; E539-Y541 VanDerWaalsContact C-N 3.27Å; E539-Y541 PolarHBondContact O-N 2.9Å; E539-K563 WeakPolarHBondContact O-CD 3.46Å; E539-K563 WeakPolarHBondContact O-CE 3.37Å; E539-K563 PolarHBondContact O-NZ 3.35Å
540	G	74.3	Confident	82.9	Confident	54 Å²	54	53.4 Å²	53.4	56%	0.557	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	11.6	-175.2	0	0	0	0	0	115.1	L538 K563	L538-G540 PolarHBondContact O-N 2.83Å; G540-K563 VanDerWaalsContact O-CG 3.3Å; G540-K563 WeakPolarHBondContact O-CG 3.44Å
541	Y	84.8	Confident	82.5	Confident	19 Å²	19	55.6 Å²	55.6	8%	0.075	32%	0.324	C	S	.	.			trans	-89.8	148.2	168.3	-75.8	-97.1	0	0	0	111.2	M536 Q537 L538 E539 A561 V562 K563 D566 T589	M536-Y541 HydrophobicContact CE-CD1 4.39Å; M536-Y541 HydrophobicContact CE-CE1 4.16Å; M536-Y541 HydrophobicContact CG-CE2 4.34Å; M536-Y541 HydrophobicContact SD-CE1 4.15Å; M536-Y541 HydrophobicContact SD-CE2 4.45Å; Q537-Y541 WeakPolarHBondContact O-CD2 3.45Å; Q537-Y541 WeakPolarHBondContact O-CE2 3.28Å; L538-Y541 PolarHBondContact O-N 3.39Å; L538-Y541 VanDerWaalsContact O-N 3.16Å; E539-Y541 VanDerWaalsContact C-N 3.27Å; E539-Y541 PolarHBondContact O-N 2.9Å; Y541-A561 HydrophobicContact CD1-CB 3.98Å; Y541-V562 CarbonylContact C-O 3.54Å; Y541-V562 VanDerWaalsContact CA-O 3.24Å; Y541-V562 WeakPolarHBondContact CA-O 3.47Å; Y541-K563 HydrophobicContact CD1-CB 3.69Å; Y541-K563 HydrophobicContact CD2-CB 4.05Å; Y541-K563 HydrophobicContact CD2-CD 3.92Å; Y541-K563 HydrophobicContact CE1-CB 3.68Å; Y541-K563 HydrophobicContact CE2-CB 4.05Å; Y541-K563 HydrophobicContact CE2-CD 3.78Å; Y541-K563 HydrophobicContact CG-CB 3.89Å; Y541-D566 HydrophobicContact CE1-CB 4.45Å; Y541-D566 PolarHBondContact OH-OD2 2.84Å; Y541-T589 WeakPolarHBondContact O-CB 3.23Å; Y541-T589 WeakPolarHBondContact O-CG2 2.95Å
542	T	85.1	Confident	82.4	Confident	43 Å²	43	52.8 Å²	52.8	26%	0.264	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.9	159.5	64	0	0	0	0	109.8	A561 V562 Q591 Y593	T542-A561 CarbonylContact O-C 3.09Å; T542-A561 WeakPolarHBondContact O-CA 3.39Å; T542-V562 PolarHBondContact N-O 3.36Å; T542-V562 PolarHBondContact O-N 3.14Å; T542-Q591 HydrophobicContact CG2-CB 3.93Å; T542-Y593 HydrophobicContact CG2-CE1 4.31Å; T542-Y593 PolarHBondContact OG1-OH 3.19Å
543	V	89.9	Confident	81.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.8	172.9	57.6	0	0	0	0	110	F559 N560 V582 M585 Q591 P595	V543-F559 HydrophobicContact CG2-CD2 3.99Å; V543-N560 VanDerWaalsContact CA-O 3.26Å; V543-N560 WeakPolarHBondContact CA-O 3.34Å; V543-N560 WeakPolarHBondContact CG2-O 3.38Å; V543-V582 HydrophobicContact CG2-CB 4.49Å; V543-V582 HydrophobicContact CG2-CG1 4.19Å; V543-V582 HydrophobicContact CG2-CG2 4.22Å; V543-M585 HydrophobicContact CB-CB 4.18Å; V543-M585 HydrophobicContact CG1-CB 3.91Å; V543-M585 HydrophobicContact CG2-CB 4.16Å; V543-M585 HydrophobicContact CG2-CE 4.42Å; V543-Q591 PolarHBondContact O-NE2 2.91Å; V543-P595 HydrophobicContact CG1-CG 4.34Å; V543-P595 WeakPolarHBondContact O-CG 3.14Å
544	D	87.8	Confident	80.7	Confident	43 Å²	43	59.1 Å²	59.1	23%	0.23	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.3	176.9	-95.1	-52.1	0	0	0	113.3	F559 N560 Y593	D544-F559 CarbonylContact O-C 3.6Å; D544-F559 VanDerWaalsContact O-CA 3.23Å; D544-F559 WeakPolarHBondContact O-CA 3.42Å; D544-F559 VanDerWaalsContact O-CB 3.23Å; D544-F559 WeakPolarHBondContact O-CB 3.27Å; D544-N560 PolarHBondContact N-O 3.23Å; D544-N560 VanDerWaalsContact N-O 3.11Å; D544-N560 PolarHBondContact O-N 2.78Å; D544-N560 PolarHBondContact O-OD1 3.01Å; D544-Y593 WeakPolarHBondContact OD2-CE2 3.37Å; D544-Y593 VanDerWaalsContact OD2-CZ 3.29Å; D544-Y593 PolarHBondContact OD2-OH 2.93Å
545	Y	88.9	Confident	80	Confident	34 Å²	34	56.9 Å²	56.9	13%	0.133	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	137.4	171.3	-64.7	-86.6	0	0	0	110.1	R578 V582 P595 V596 P597	Y545-R578 HydrophobicContact CD1-CG 4.23Å; Y545-R578 HydrophobicContact CE1-CG 4Å; Y545-V582 HydrophobicContact CD1-CG2 4.3Å; Y545-V582 HydrophobicContact CD2-CG1 4.3Å; Y545-V582 HydrophobicContact CE1-CB 4.21Å; Y545-V582 HydrophobicContact CE1-CG1 4.33Å; Y545-V582 HydrophobicContact CE1-CG2 3.95Å; Y545-V582 HydrophobicContact CE2-CB 4.42Å; Y545-V582 HydrophobicContact CE2-CG1 3.69Å; Y545-P595 HydrophobicContact CD2-CB 3.84Å; Y545-P595 HydrophobicContact CE2-CB 3.69Å; Y545-V596 WeakPolarHBondContact CD2-O 3.37Å; Y545-P597 HydrophobicContact CD2-CG 4.43Å; Y545-P597 HydrophobicContact CE1-CB 4.36Å; Y545-P597 HydrophobicContact CE1-CG 4.14Å; Y545-P597 HydrophobicContact CE2-CB 4.39Å; Y545-P597 HydrophobicContact CE2-CG 3.83Å
546	T	84.4	Confident	79.4	Confident	27 Å²	27	59 Å²	59	17%	0.166	36%	0.359	C	S	.	.			trans	-130.8	155.8	-178.5	53.1	0	0	0	0	112.7	F558 F559 N560	T546-F558 PolarHBondContact N-O 3.34Å; T546-F559 VanDerWaalsContact OG1-CA 3.28Å; T546-F559 WeakPolarHBondContact OG1-CA 3.4Å; T546-F559 PolarHBondContact OG1-N 3.45Å; T546-N560 HydrophobicContact CG2-CB 3.86Å
547	D	79.9	Confident	79.3	Confident	127 Å²	127	61.8 Å²	61.8	68%	0.679	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-71.9	150.2	174.4	-73.4	-52.1	0	0	0	112.2	H549	D547-H549 PolarHBondContact O-N 3.14Å; D547-H549 PolarHBondContact O-ND1 3.04Å
548	P	76.4	Confident	79.4	Confident	88 Å²	88	59.7 Å²	59.7	57%	0.571	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-55.8	121.5	178.9	-26.2	35.2	0	0	0	113	P550 F558	P548-P550 WeakPolarHBondContact O-CD 3.46Å; P548-F558 HydrophobicContact CB-CD2 3.95Å; P548-F558 HydrophobicContact CB-CE2 3.96Å; P548-F558 HydrophobicContact CG-CD2 4.24Å
549	H	74.8	Confident	79.8	Confident	82 Å²	82	59.6 Å²	59.6	38%	0.38	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-80.1	118.8	-175.3	-90	49.4	0	0	0	112.1	D547 G551 L552 F558	D547-H549 PolarHBondContact O-N 3.14Å; D547-H549 PolarHBondContact O-ND1 3.04Å; H549-G551 PolarHBondContact O-N 2.95Å; H549-L552 HydrophobicContact CB-CD1 3.96Å; H549-L552 HydrophobicContact CB-CG 4.37Å; H549-L552 PolarHBondContact O-N 2.87Å; H549-F558 HydrophobicContact CB-CE1 4.38Å
550	P	65.1	Low	80.3	Confident	132 Å²	132	55.5 Å²	55.5	86%	0.857	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	125	-178.1	26.8	-33.9	0	0	0	111	P548	P548-P550 WeakPolarHBondContact O-CD 3.46Å
551	G	70.1	Confident	81.1	Confident	77 Å²	77	53 Å²	53	79%	0.794	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.9	-11	-179.9	0	0	0	0	0	114.9	H549	H549-G551 PolarHBondContact O-N 2.95Å
552	L	79.9	Confident	81.2	Confident	46 Å²	46	54.4 Å²	54.4	24%	0.241	33%	0.328	C	S	.	.			trans	-91.4	132.2	170.6	-60.5	-177.3	0	0	0	110.3	L497 W505 H549 F558	L497-L552 HydrophobicContact CD2-CD2 4.3Å; W505-L552 HydrophobicContact CB-CD2 4.09Å; W505-L552 HydrophobicContact CD2-CB 4.33Å; W505-L552 HydrophobicContact CD2-CD1 4.06Å; W505-L552 HydrophobicContact CD2-CD2 4.03Å; W505-L552 HydrophobicContact CD2-CG 4.37Å; W505-L552 HydrophobicContact CE3-CD1 3.97Å; W505-L552 HydrophobicContact CE3-CD2 4.5Å; W505-L552 HydrophobicContact CG-CD2 3.88Å; W505-L552 HydrophobicContact CH2-CD1 3.97Å; W505-L552 HydrophobicContact CZ2-CB 4.01Å; W505-L552 HydrophobicContact CZ2-CD1 4.09Å; W505-L552 HydrophobicContact CZ3-CD1 3.94Å; H549-L552 HydrophobicContact CB-CD1 3.96Å; H549-L552 HydrophobicContact CB-CG 4.37Å; H549-L552 PolarHBondContact O-N 2.87Å; L552-F558 HydrophobicContact CB-CE1 4.42Å; L552-F558 HydrophobicContact CD1-CE1 4.18Å
553	Q	68.6	Low	81.2	Confident	169 Å²	169	56 Å²	56	79%	0.79	33%	0.332	S	S	*	.			trans	-112.8	134.3	179.3	-68.9	-174.6	-9.8	0	0	111.2	W505	W505-Q553 PolarHBondContact NE1-O 3.1Å
554	G	67.7	Low	80.6	Confident	32 Å²	32	65.2 Å²	65.2	33%	0.33	38%	0.375	S	S	.	.	S	Bend	trans	83.9	145	-173.1	0	0	0	0	0	112.5	W505	W505-G554 WeakPolarHBondContact CZ2-O 3.34Å
555	G	72.8	Confident	79.9	Confident	10 Å²	10	66.3 Å²	66.3	10%	0.103	40%	0.396	C	S	.	.			trans	78.3	130	-160.1	0	0	0	0	0	111.2	Y495 S572 D573	Y495-G555 VanDerWaalsContact CE2-N 3.28Å; G555-S572 CarbonylContact C-O 3.58Å; G555-S572 WeakPolarHBondContact CA-O 3.39Å; G555-D573 WeakPolarHBondContact CA-OD1 3.45Å; G555-D573 PolarHBondContact N-OD1 3.32Å
556	C	77.1	Confident	79.8	Confident	78 Å²	78	64.9 Å²	64.9	53%	0.527	39%	0.39	S	S	.	.	S	Bend	trans	-104.2	-34.6	177.7	-65.3	0	0	0	0	111.8	S572	C556-S572 PolarHBondContact N-O 2.94Å
557	M	85.7	Confident	79.9	Confident	66 Å²	66	65.6 Å²	65.6	33%	0.325	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.4	-169.7	-53.7	-51.2	-174.6	0	0	109.8	A571 S572 E575 R578	M557-A571 VanDerWaalsContact O-CA 3.26Å; M557-A571 WeakPolarHBondContact O-CA 3.41Å; M557-S572 PolarHBondContact N-O 3.49Å; M557-S572 VanDerWaalsContact N-O 3.09Å; M557-S572 PolarHBondContact O-N 2.99Å; M557-E575 WeakPolarHBondContact CB-OE2 3.24Å; M557-E575 HydrophobicContact CE-CB 4.33Å; M557-E575 HydrophobicContact CG-CB 4.21Å; M557-E575 VanDerWaalsContact CG-OE2 3.28Å; M557-E575 WeakPolarHBondContact CG-OE2 3.27Å; M557-R578 HydrophobicContact CB-CB 4.09Å; M557-R578 HydrophobicContact CB-CG 4.5Å
558	F	89.3	Confident	80.4	Confident	9 Å²	9	59.5 Å²	59.5	4%	0.039	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	147.9	-168.2	-71.4	-105.7	0	0	0	112.7	W505 T546 P548 H549 L552 I569 F570 A571 R578	W505-F558 HydrophobicContact CH2-CD1 4.34Å; W505-F558 AromaticContact CH2-CE1 3.74Å; W505-F558 HydrophobicContact CH2-CE1 3.74Å; W505-F558 AromaticContact CZ2-CE1 3.9Å; W505-F558 HydrophobicContact CZ2-CE1 3.9Å; W505-F558 HydrophobicContact CZ2-CZ 4.27Å; T546-F558 PolarHBondContact N-O 3.34Å; P548-F558 HydrophobicContact CB-CD2 3.95Å; P548-F558 HydrophobicContact CB-CE2 3.96Å; P548-F558 HydrophobicContact CG-CD2 4.24Å; H549-F558 HydrophobicContact CB-CE1 4.38Å; L552-F558 HydrophobicContact CB-CE1 4.42Å; L552-F558 HydrophobicContact CD1-CE1 4.18Å; F558-I569 HydrophobicContact CD1-CG2 4.07Å; F558-F570 WeakPolarHBondContact CA-O 3.47Å; F558-A571 HydrophobicContact CD1-CB 3.83Å; F558-A571 HydrophobicContact CD2-CB 4.22Å; F558-A571 HydrophobicContact CE1-CB 3.89Å; F558-A571 HydrophobicContact CE2-CB 4.28Å; F558-A571 HydrophobicContact CG-CB 4Å; F558-A571 HydrophobicContact CZ-CB 4.12Å; F558-R578 VanDerWaalsContact O-CD 3.28Å; F558-R578 WeakPolarHBondContact O-CD 3.46Å; F558-R578 PolarHBondContact O-NH1 3.24Å
559	F	92.3	Very high	81.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	163.8	169.5	64.4	-83.6	0	0	0	109.4	L494 V543 D544 T546 F570 R578 W581 V582 M585	L494-F559 HydrophobicContact CD1-CE1 4.47Å; L494-F559 HydrophobicContact CD1-CZ 3.78Å; L494-F559 HydrophobicContact CD2-CE1 3.92Å; L494-F559 HydrophobicContact CD2-CZ 4.05Å; V543-F559 HydrophobicContact CG2-CD2 3.99Å; D544-F559 CarbonylContact O-C 3.6Å; D544-F559 VanDerWaalsContact O-CA 3.23Å; D544-F559 WeakPolarHBondContact O-CA 3.42Å; D544-F559 VanDerWaalsContact O-CB 3.23Å; D544-F559 WeakPolarHBondContact O-CB 3.27Å; T546-F559 VanDerWaalsContact OG1-CA 3.28Å; T546-F559 WeakPolarHBondContact OG1-CA 3.4Å; T546-F559 PolarHBondContact OG1-N 3.45Å; F559-F570 HydrophobicContact CD1-CB 4.02Å; F559-F570 HydrophobicContact CD2-CB 3.91Å; F559-F570 HydrophobicContact CD2-CD2 4.18Å; F559-F570 HydrophobicContact CD2-CG 4.4Å; F559-F570 HydrophobicContact CE1-CB 3.68Å; F559-F570 HydrophobicContact CE2-CB 3.54Å; F559-F570 AromaticContact CE2-CD2 3.81Å; F559-F570 HydrophobicContact CE2-CD2 3.81Å; F559-F570 AromaticContact CE2-CG 3.82Å; F559-F570 HydrophobicContact CE2-CG 3.82Å; F559-F570 HydrophobicContact CG-CB 4.15Å; F559-F570 HydrophobicContact CZ-CB 3.43Å; F559-F570 VanDerWaalsContact CZ-CB 3.43Å; F559-F570 HydrophobicContact CZ-CD2 4.45Å; F559-F570 AromaticContact CZ-CG 3.99Å; F559-F570 HydrophobicContact CZ-CG 3.99Å; F559-F570 PolarHBondContact N-O 3.37Å; F559-F570 PolarHBondContact O-N 3.41Å; F559-R578 HydrophobicContact CD1-CG 3.88Å; F559-R578 HydrophobicContact CE1-CG 4.49Å; F559-W581 HydrophobicContact CE1-CB 4.14Å; F559-W581 HydrophobicContact CE2-CB 4.37Å; F559-W581 HydrophobicContact CZ-CB 3.69Å; F559-W581 HydrophobicContact CZ-CG 4.15Å; F559-V582 HydrophobicContact CB-CG2 3.72Å; F559-V582 HydrophobicContact CD1-CG2 4.26Å; F559-V582 HydrophobicContact CD2-CG2 3.89Å; F559-V582 HydrophobicContact CG-CG2 3.73Å; F559-M585 HydrophobicContact CE2-SD 3.83Å
560	N	91.3	Very high	81.9	Confident	30 Å²	30	52.7 Å²	52.7	16%	0.16	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	164	176.9	67.8	-9.1	0	0	0	112.4	V543 D544 T546 V562 V568	V543-N560 VanDerWaalsContact CA-O 3.26Å; V543-N560 WeakPolarHBondContact CA-O 3.34Å; V543-N560 WeakPolarHBondContact CG2-O 3.38Å; D544-N560 PolarHBondContact N-O 3.23Å; D544-N560 VanDerWaalsContact N-O 3.11Å; D544-N560 PolarHBondContact O-N 2.78Å; D544-N560 PolarHBondContact O-OD1 3.01Å; T546-N560 HydrophobicContact CG2-CB 3.86Å; N560-V562 VanDerWaalsContact ND2-CG2 3.34Å; N560-V562 WeakPolarHBondContact ND2-CG2 3.39Å; N560-V568 CarbonylContact C-O 3.59Å; N560-V568 VanDerWaalsContact CA-O 3.31Å; N560-V568 WeakPolarHBondContact CA-O 3.12Å
561	A	91.3	Very high	83.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.3	162.4	0	0	0	0	0	108.9	M536 Y541 T542 T567 V568 F570 M585	M536-A561 HydrophobicContact CE-CB 4.36Å; Y541-A561 HydrophobicContact CD1-CB 3.98Å; T542-A561 CarbonylContact O-C 3.09Å; T542-A561 WeakPolarHBondContact O-CA 3.39Å; A561-T567 WeakPolarHBondContact O-CA 3.44Å; A561-V568 PolarHBondContact N-O 2.98Å; A561-V568 PolarHBondContact O-N 2.71Å; A561-F570 HydrophobicContact CB-CE2 4.07Å; A561-M585 HydrophobicContact CB-CE 3.95Å
562	V	87.2	Confident	84.1	Confident	50 Å²	50	42.7 Å²	42.7	30%	0.303	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.9	-173.7	-175.1	0	0	0	0	110.4	Y541 T542 N560 T567	Y541-V562 CarbonylContact C-O 3.54Å; Y541-V562 VanDerWaalsContact CA-O 3.24Å; Y541-V562 WeakPolarHBondContact CA-O 3.47Å; T542-V562 PolarHBondContact N-O 3.36Å; T542-V562 PolarHBondContact O-N 3.14Å; N560-V562 VanDerWaalsContact ND2-CG2 3.34Å; N560-V562 WeakPolarHBondContact ND2-CG2 3.39Å; V562-T567 HydrophobicContact CG2-CG2 4.18Å
563	K	85	Confident	84.3	Confident	77 Å²	77	44 Å²	44	34%	0.335	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	162.1	167.7	-179.7	164.1	-174	175.3	0	107.7	E539 G540 Y541 G565 D566	E539-K563 WeakPolarHBondContact O-CD 3.46Å; E539-K563 WeakPolarHBondContact O-CE 3.37Å; E539-K563 PolarHBondContact O-NZ 3.35Å; G540-K563 VanDerWaalsContact O-CG 3.3Å; G540-K563 WeakPolarHBondContact O-CG 3.44Å; Y541-K563 HydrophobicContact CD1-CB 3.69Å; Y541-K563 HydrophobicContact CD2-CB 4.05Å; Y541-K563 HydrophobicContact CD2-CD 3.92Å; Y541-K563 HydrophobicContact CE1-CB 3.68Å; Y541-K563 HydrophobicContact CE2-CB 4.05Å; Y541-K563 HydrophobicContact CE2-CD 3.78Å; Y541-K563 HydrophobicContact CG-CB 3.89Å; K563-G565 PolarHBondContact O-N 3.33Å; K563-D566 PolarHBondContact N-O 3.34Å; K563-D566 VanDerWaalsContact N-O 3.08Å; K563-D566 PolarHBondContact O-N 2.12Å
564	E	76.4	Confident	85.1	Confident	193 Å²	193	40.1 Å²	40.1	90%	0.902	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	117.6	176.3	-63	-165.9	155.5	0	0	110.9	D566	E564-D566 PolarHBondContact O-N 2.62Å
565	G	74.5	Confident	85.8	Confident	66 Å²	66	40.8 Å²	40.8	68%	0.68	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	19	-176.4	0	0	0	0	0	116.3	K563	K563-G565 PolarHBondContact O-N 3.33Å
566	D	85.2	Confident	86.3	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	152.2	167.9	-150.6	-20.8	0	0	0	112.5	Q499 K500 Y541 K563 E564	Q499-D566 WeakPolarHBondContact CB-OD1 3.46Å; K500-D566 VanDerWaalsContact CB-OD2 3.31Å; K500-D566 WeakPolarHBondContact CB-OD2 3.5Å; K500-D566 WeakPolarHBondContact CD-OD2 3.44Å; K500-D566 WeakPolarHBondContact CE-OD2 3.27Å; K500-D566 WeakPolarHBondContact CG-OD2 3.31Å; K500-D566 IonicContact NZ-OD2 3.74Å; K500-D566 PolarHBondContact NZ-OD2 2.73Å; Y541-D566 HydrophobicContact CE1-CB 4.45Å; Y541-D566 PolarHBondContact OH-OD2 2.84Å; K563-D566 PolarHBondContact N-O 3.34Å; K563-D566 VanDerWaalsContact N-O 3.08Å; K563-D566 PolarHBondContact O-N 2.12Å; E564-D566 PolarHBondContact O-N 2.62Å
567	T	87.4	Confident	86.7	Confident	42 Å²	42	43.9 Å²	43.9	26%	0.258	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	131.3	175.9	-62.9	0	0	0	0	109.8	G498 Q499 A561 V562	G498-T567 WeakPolarHBondContact CA-O 3.32Å; Q499-T567 PolarHBondContact N-O 2.83Å; A561-T567 WeakPolarHBondContact O-CA 3.44Å; V562-T567 HydrophobicContact CG2-CG2 4.18Å
568	V	90.8	Very high	86.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.3	175.5	-171.7	0	0	0	0	109.1	L497 V501 W502 M536 N560 A561 F570	L497-V568 CarbonylContact O-C 3.59Å; L497-V568 WeakPolarHBondContact O-CA 3.46Å; V501-V568 HydrophobicContact CG2-CG2 4.25Å; W502-V568 HydrophobicContact CE3-CG1 4.02Å; W502-V568 HydrophobicContact CZ3-CG1 4.4Å; M536-V568 HydrophobicContact CE-CG2 4.19Å; M536-V568 HydrophobicContact SD-CB 4.46Å; M536-V568 HydrophobicContact SD-CG2 3.55Å; M536-V568 VanDerWaalsContact SD-CG2 3.55Å; N560-V568 CarbonylContact C-O 3.59Å; N560-V568 VanDerWaalsContact CA-O 3.31Å; N560-V568 WeakPolarHBondContact CA-O 3.12Å; A561-V568 PolarHBondContact N-O 2.98Å; A561-V568 PolarHBondContact O-N 2.71Å; V568-F570 HydrophobicContact CB-CE2 3.93Å; V568-F570 HydrophobicContact CB-CZ 4.26Å; V568-F570 HydrophobicContact CG1-CD2 4.2Å; V568-F570 HydrophobicContact CG1-CE1 4.11Å; V568-F570 HydrophobicContact CG1-CE2 3.58Å; V568-F570 HydrophobicContact CG1-CZ 3.53Å
569	I	90.4	Very high	86.7	Confident	26 Å²	26	43.6 Å²	43.6	13%	0.133	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	133	174.8	-62.7	162.9	0	0	0	108.1	A496 L497 W505 F558	A496-I569 WeakPolarHBondContact CA-O 3.45Å; L497-I569 PolarHBondContact N-O 3.1Å; L497-I569 PolarHBondContact O-N 3.13Å; W505-I569 HydrophobicContact CZ3-CG2 4.28Å; F558-I569 HydrophobicContact CD1-CG2 4.07Å
570	F	92.1	Very high	86.5	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	154.3	174.8	-63.9	-85.3	0	0	0	110.6	L494 Y495 A496 W502 F510 M522 F558 F559 A561 V568 M585	L494-F570 HydrophobicContact CB-CD1 4.37Å; L494-F570 HydrophobicContact CD1-CB 4.44Å; L494-F570 HydrophobicContact CD1-CD1 3.8Å; L494-F570 HydrophobicContact CD1-CE1 4.44Å; L494-F570 HydrophobicContact CD1-CG 4.37Å; Y495-F570 CarbonylContact O-C 3.49Å; Y495-F570 VanDerWaalsContact O-CA 3.26Å; Y495-F570 WeakPolarHBondContact O-CA 3.11Å; A496-F570 HydrophobicContact CB-CD1 3.72Å; A496-F570 HydrophobicContact CB-CE1 3.8Å; W502-F570 HydrophobicContact CE3-CE1 4.49Å; W502-F570 HydrophobicContact CE3-CZ 4.45Å; W502-F570 HydrophobicContact CZ3-CE1 4.36Å; W502-F570 HydrophobicContact CZ3-CZ 4.07Å; F510-F570 HydrophobicContact CE1-CE1 4.16Å; F510-F570 HydrophobicContact CZ-CE1 4.14Å; M522-F570 HydrophobicContact CE-CD1 4.37Å; M522-F570 HydrophobicContact CE-CE1 3.8Å; M522-F570 HydrophobicContact CE-CZ 4.19Å; M522-F570 HydrophobicContact CG-CZ 4.32Å; F558-F570 WeakPolarHBondContact CA-O 3.47Å; F559-F570 HydrophobicContact CD1-CB 4.02Å; F559-F570 HydrophobicContact CD2-CB 3.91Å; F559-F570 HydrophobicContact CD2-CD2 4.18Å; F559-F570 HydrophobicContact CD2-CG 4.4Å; F559-F570 HydrophobicContact CE1-CB 3.68Å; F559-F570 HydrophobicContact CE2-CB 3.54Å; F559-F570 AromaticContact CE2-CD2 3.81Å; F559-F570 HydrophobicContact CE2-CD2 3.81Å; F559-F570 AromaticContact CE2-CG 3.82Å; F559-F570 HydrophobicContact CE2-CG 3.82Å; F559-F570 HydrophobicContact CG-CB 4.15Å; F559-F570 HydrophobicContact CZ-CB 3.43Å; F559-F570 VanDerWaalsContact CZ-CB 3.43Å; F559-F570 HydrophobicContact CZ-CD2 4.45Å; F559-F570 AromaticContact CZ-CG 3.99Å; F559-F570 HydrophobicContact CZ-CG 3.99Å; F559-F570 PolarHBondContact N-O 3.37Å; F559-F570 PolarHBondContact O-N 3.41Å; A561-F570 HydrophobicContact CB-CE2 4.07Å; V568-F570 HydrophobicContact CB-CE2 3.93Å; V568-F570 HydrophobicContact CB-CZ 4.26Å; V568-F570 HydrophobicContact CG1-CD2 4.2Å; V568-F570 HydrophobicContact CG1-CE1 4.11Å; V568-F570 HydrophobicContact CG1-CE2 3.58Å; V568-F570 HydrophobicContact CG1-CZ 3.53Å; F570-M585 HydrophobicContact CE2-CE 4.13Å
571	A	91.1	Very high	86.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	141.4	164.6	0	0	0	0	0	112.2	Y495 W505 M557 F558	Y495-A571 PolarHBondContact N-O 3.18Å; Y495-A571 PolarHBondContact O-N 2.99Å; W505-A571 HydrophobicContact CH2-CB 3.67Å; W505-A571 HydrophobicContact CZ2-CB 4.05Å; M557-A571 VanDerWaalsContact O-CA 3.26Å; M557-A571 WeakPolarHBondContact O-CA 3.41Å; F558-A571 HydrophobicContact CD1-CB 3.83Å; F558-A571 HydrophobicContact CD2-CB 4.22Å; F558-A571 HydrophobicContact CE1-CB 3.89Å; F558-A571 HydrophobicContact CE2-CB 4.28Å; F558-A571 HydrophobicContact CG-CB 4Å; F558-A571 HydrophobicContact CZ-CB 4.12Å
572	S	89.1	Confident	86.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	163.6	167.6	57.5	0	0	0	0	110.3	G555 C556 M557 D574 D577 R578	G555-S572 CarbonylContact C-O 3.58Å; G555-S572 WeakPolarHBondContact CA-O 3.39Å; C556-S572 PolarHBondContact N-O 2.94Å; M557-S572 PolarHBondContact N-O 3.49Å; M557-S572 VanDerWaalsContact N-O 3.09Å; M557-S572 PolarHBondContact O-N 2.99Å; S572-D574 WeakPolarHBondContact CB-O 3.33Å; S572-D574 PolarHBondContact OG-O 3.1Å; S572-D577 WeakPolarHBondContact CB-OD2 3.49Å; S572-R578 WeakPolarHBondContact OG-CB 3.23Å; S572-R578 PolarHBondContact OG-N 2.94Å
573	D	85.4	Confident	86.3	Confident	73 Å²	73	46.9 Å²	46.9	39%	0.39	25%	0.247	S	C	.	.	S	Bend	trans	-84.7	-14	173.2	-61.3	-47.4	0	0	0	112.8	K507 G555	K507-D573 WeakPolarHBondContact CE-OD2 3.4Å; K507-D573 IonicContact NZ-OD2 2.69Å; K507-D573 PolarHBondContact NZ-OD2 2.94Å; G555-D573 WeakPolarHBondContact CA-OD1 3.45Å; G555-D573 PolarHBondContact N-OD1 3.32Å
574	D	84.7	Confident	86.3	Confident	87 Å²	87	43.9 Å²	43.9	47%	0.465	24%	0.236	S	C	.	.	S	Bend	trans	-130.9	151.1	-178.4	173.2	44.7	0	0	0	111.9	S572 Q576 D577 R578	S572-D574 WeakPolarHBondContact CB-O 3.33Å; S572-D574 PolarHBondContact OG-O 3.1Å; D574-Q576 WeakPolarHBondContact OD2-CB 3.31Å; D574-Q576 PolarHBondContact OD2-N 3.21Å; D574-D577 HydrophobicContact CB-CB 4.33Å; D574-D577 PolarHBondContact OD2-N 2.64Å; D574-R578 PolarHBondContact O-N 3.42Å; D574-R578 VanDerWaalsContact O-N 3.17Å
575	E	82.8	Confident	86.9	Confident	47 Å²	47	34.7 Å²	34.7	22%	0.22	19%	0.193	C	C	.	.	H	α-helix	trans	-75	-38.1	-179.8	-175.5	57.9	-157.9	0	0	112.5	M557 D577 R578 I579	M557-E575 WeakPolarHBondContact CB-OE2 3.24Å; M557-E575 HydrophobicContact CE-CB 4.33Å; M557-E575 HydrophobicContact CG-CB 4.21Å; M557-E575 VanDerWaalsContact CG-OE2 3.28Å; M557-E575 WeakPolarHBondContact CG-OE2 3.27Å; E575-D577 VanDerWaalsContact C-N 3.32Å; E575-D577 PolarHBondContact O-N 2.74Å; E575-R578 WeakPolarHBondContact O-CB 3.39Å; E575-R578 PolarHBondContact O-N 3.02Å; E575-R578 VanDerWaalsContact O-N 3.14Å; E575-R578 IonicContact OE1-CZ 3.84Å; E575-R578 IonicContact OE1-NE 3.23Å; E575-R578 PolarHBondContact OE1-NE 3.35Å; E575-R578 IonicContact OE1-NH2 2.9Å; E575-R578 PolarHBondContact OE1-NH2 2.92Å; E575-R578 IonicContact OE2-CZ 3.42Å; E575-R578 IonicContact OE2-NE 2.81Å; E575-R578 PolarHBondContact OE2-NE 3.34Å; E575-R578 IonicContact OE2-NH2 3.87Å; E575-R578 PolarHBondContact OE2-NH2 2.9Å; E575-I579 HydrophobicContact CG-CD1 4.02Å; E575-I579 WeakPolarHBondContact O-CG1 3.32Å; E575-I579 PolarHBondContact O-N 2.88Å
576	Q	84.1	Confident	87.3	Confident	116 Å²	116	33.2 Å²	33.2	54%	0.542	17%	0.168	S	C	.	.	H	α-helix	trans	-66.7	-39.1	179.4	-169.5	66.2	14.7	0	0	110.4	D574 I579 L580	D574-Q576 WeakPolarHBondContact OD2-CB 3.31Å; D574-Q576 PolarHBondContact OD2-N 3.21Å; Q576-I579 PolarHBondContact O-N 3.31Å; Q576-L580 VanDerWaalsContact O-CG 3.3Å; Q576-L580 WeakPolarHBondContact O-CG 3.31Å; Q576-L580 PolarHBondContact O-N 2.79Å; Q576-L580 VanDerWaalsContact O-N 3.09Å
577	D	85.2	Confident	87.1	Confident	36 Å²	36	36.7 Å²	36.7	19%	0.193	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-44.1	169.6	-166.3	61.4	0	0	0	111.7	S572 D574 E575 I579 L580 W581	S572-D577 WeakPolarHBondContact CB-OD2 3.49Å; D574-D577 HydrophobicContact CB-CB 4.33Å; D574-D577 PolarHBondContact OD2-N 2.64Å; E575-D577 VanDerWaalsContact C-N 3.32Å; E575-D577 PolarHBondContact O-N 2.74Å; D577-I579 PolarHBondContact O-N 3.25Å; D577-L580 PolarHBondContact O-N 3.38Å; D577-W581 PolarHBondContact O-N 3.05Å; D577-W581 PolarHBondContact OD2-NE1 2.71Å
578	R	88.2	Confident	86.9	Confident	31 Å²	31	34.9 Å²	34.9	12%	0.117	17%	0.169	C	C	.	.	H	α-helix	trans	-56.5	-49.8	175.2	-178.5	168.2	68.4	159.5	0.8	111.8	Y545 M557 F558 F559 S572 D574 E575 L580 W581 V582	Y545-R578 HydrophobicContact CD1-CG 4.23Å; Y545-R578 HydrophobicContact CE1-CG 4Å; M557-R578 HydrophobicContact CB-CB 4.09Å; M557-R578 HydrophobicContact CB-CG 4.5Å; F558-R578 VanDerWaalsContact O-CD 3.28Å; F558-R578 WeakPolarHBondContact O-CD 3.46Å; F558-R578 PolarHBondContact O-NH1 3.24Å; F559-R578 HydrophobicContact CD1-CG 3.88Å; F559-R578 HydrophobicContact CE1-CG 4.49Å; S572-R578 WeakPolarHBondContact OG-CB 3.23Å; S572-R578 PolarHBondContact OG-N 2.94Å; D574-R578 PolarHBondContact O-N 3.42Å; D574-R578 VanDerWaalsContact O-N 3.17Å; E575-R578 WeakPolarHBondContact O-CB 3.39Å; E575-R578 PolarHBondContact O-N 3.02Å; E575-R578 VanDerWaalsContact O-N 3.14Å; E575-R578 IonicContact OE1-CZ 3.84Å; E575-R578 IonicContact OE1-NE 3.23Å; E575-R578 PolarHBondContact OE1-NE 3.35Å; E575-R578 IonicContact OE1-NH2 2.9Å; E575-R578 PolarHBondContact OE1-NH2 2.92Å; E575-R578 IonicContact OE2-CZ 3.42Å; E575-R578 IonicContact OE2-NE 2.81Å; E575-R578 PolarHBondContact OE2-NE 3.34Å; E575-R578 IonicContact OE2-NH2 3.87Å; E575-R578 PolarHBondContact OE2-NH2 2.9Å; R578-L580 VanDerWaalsContact C-N 3.3Å; R578-L580 PolarHBondContact O-N 3.35Å; R578-W581 PolarHBondContact O-N 3.2Å; R578-V582 HydrophobicContact CG-CG2 4.16Å; R578-V582 WeakPolarHBondContact O-CG2 3.41Å; R578-V582 PolarHBondContact O-N 3.06Å
579	I	87	Confident	86.4	Confident	38 Å²	38	35.9 Å²	35.9	20%	0.195	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-41.8	-177.7	-68.6	166.9	0	0	0	110.3	E575 Q576 D577 Q583	E575-I579 HydrophobicContact CG-CD1 4.02Å; E575-I579 WeakPolarHBondContact O-CG1 3.32Å; E575-I579 PolarHBondContact O-N 2.88Å; Q576-I579 PolarHBondContact O-N 3.31Å; D577-I579 PolarHBondContact O-N 3.25Å; I579-Q583 HydrophobicContact CG2-CG 4.49Å; I579-Q583 VanDerWaalsContact CG2-NE2 3.3Å; I579-Q583 WeakPolarHBondContact O-CB 3.4Å; I579-Q583 WeakPolarHBondContact O-CG 3.24Å; I579-Q583 PolarHBondContact O-N 3.37Å
580	L	87.6	Confident	85.4	Confident	72 Å²	72	35.2 Å²	35.2	38%	0.377	18%	0.175	S	C	.	.	H	α-helix	trans	-66.2	-42	176.8	-69.2	170.7	0	0	0	112.4	Q576 D577 R578 A584	Q576-L580 VanDerWaalsContact O-CG 3.3Å; Q576-L580 WeakPolarHBondContact O-CG 3.31Å; Q576-L580 PolarHBondContact O-N 2.79Å; Q576-L580 VanDerWaalsContact O-N 3.09Å; D577-L580 PolarHBondContact O-N 3.38Å; R578-L580 VanDerWaalsContact C-N 3.3Å; R578-L580 PolarHBondContact O-N 3.35Å; L580-A584 VanDerWaalsContact O-CB 3.26Å; L580-A584 WeakPolarHBondContact O-CB 3.4Å; L580-A584 PolarHBondContact O-N 3.32Å
581	W	90.6	Very high	84.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.7	-49.3	174.7	-86.3	110.4	0	0	0	112.8	H490 G492 L494 F510 L512 M522 F559 D577 R578 Q583 A584 M585	H490-W581 HydrophobicContact CB-CZ3 4.48Å; H490-W581 AromaticContact CD2-CD2 3.4Å; H490-W581 AromaticContact CD2-CE2 3.39Å; H490-W581 AromaticContact CD2-CE3 3.65Å; H490-W581 AromaticContact CD2-CG 3.96Å; H490-W581 AromaticContact CD2-CH2 3.92Å; H490-W581 AromaticContact CD2-CZ2 3.7Å; H490-W581 AromaticContact CD2-CZ3 3.88Å; H490-W581 AromaticContact CD2-NE1 3.81Å; H490-W581 AromaticContact NE2-CD1 3.89Å; H490-W581 AromaticContact NE2-CD2 3.94Å; H490-W581 AromaticContact NE2-CE2 3.73Å; H490-W581 AromaticContact NE2-NE1 3.65Å; G492-W581 VanDerWaalsContact N-CZ2 3.35Å; L494-W581 HydrophobicContact CD1-CD2 3.75Å; L494-W581 HydrophobicContact CD1-CE3 4.14Å; L494-W581 HydrophobicContact CD1-CG 4.16Å; L494-W581 HydrophobicContact CD1-CH2 4.32Å; L494-W581 HydrophobicContact CD1-CZ2 3.91Å; L494-W581 HydrophobicContact CD1-CZ3 4.43Å; L494-W581 HydrophobicContact CD2-CG 4.21Å; L494-W581 HydrophobicContact CG-CD2 4.33Å; L494-W581 HydrophobicContact CG-CZ2 4.1Å; F510-W581 HydrophobicContact CB-CH2 3.69Å; F510-W581 HydrophobicContact CB-CZ2 4.02Å; L512-W581 HydrophobicContact CB-CZ3 4.21Å; M522-W581 HydrophobicContact CE-CE3 3.99Å; M522-W581 HydrophobicContact CE-CH2 3.84Å; M522-W581 HydrophobicContact CE-CZ3 3.47Å; M522-W581 VanDerWaalsContact CE-CZ3 3.47Å; M522-W581 HydrophobicContact SD-CH2 4.18Å; M522-W581 HydrophobicContact SD-CZ3 3.78Å; F559-W581 HydrophobicContact CE1-CB 4.14Å; F559-W581 HydrophobicContact CE2-CB 4.37Å; F559-W581 HydrophobicContact CZ-CB 3.69Å; F559-W581 HydrophobicContact CZ-CG 4.15Å; D577-W581 PolarHBondContact O-N 3.05Å; D577-W581 PolarHBondContact OD2-NE1 2.71Å; R578-W581 PolarHBondContact O-N 3.2Å; W581-Q583 PolarHBondContact O-N 2.98Å; W581-A584 PolarHBondContact O-N 3.38Å; W581-M585 WeakPolarHBondContact O-CB 3.43Å; W581-M585 WeakPolarHBondContact O-CG 3.49Å; W581-M585 PolarHBondContact O-N 2.81Å
582	V	89.1	Confident	82.9	Confident	2 Å²	2	39 Å²	39	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-41.6	-180	173.3	0	0	0	0	110.7	V543 Y545 F559 R578 Y586 P595	V543-V582 HydrophobicContact CG2-CB 4.49Å; V543-V582 HydrophobicContact CG2-CG1 4.19Å; V543-V582 HydrophobicContact CG2-CG2 4.22Å; Y545-V582 HydrophobicContact CD1-CG2 4.3Å; Y545-V582 HydrophobicContact CD2-CG1 4.3Å; Y545-V582 HydrophobicContact CE1-CB 4.21Å; Y545-V582 HydrophobicContact CE1-CG1 4.33Å; Y545-V582 HydrophobicContact CE1-CG2 3.95Å; Y545-V582 HydrophobicContact CE2-CB 4.42Å; Y545-V582 HydrophobicContact CE2-CG1 3.69Å; F559-V582 HydrophobicContact CB-CG2 3.72Å; F559-V582 HydrophobicContact CD1-CG2 4.26Å; F559-V582 HydrophobicContact CD2-CG2 3.89Å; F559-V582 HydrophobicContact CG-CG2 3.73Å; R578-V582 HydrophobicContact CG-CG2 4.16Å; R578-V582 WeakPolarHBondContact O-CG2 3.41Å; R578-V582 PolarHBondContact O-N 3.06Å; V582-Y586 WeakPolarHBondContact O-CB 3.48Å; V582-Y586 PolarHBondContact O-N 2.74Å; V582-P595 HydrophobicContact CG1-CB 3.68Å; V582-P595 HydrophobicContact CG1-CG 3.94Å
583	Q	85.1	Confident	81.9	Confident	76 Å²	76	43.5 Å²	43.5	36%	0.355	22%	0.218	S	C	.	.	H	α-helix	trans	-63.9	-41	174.3	-73.9	178.8	18.9	0	0	112.9	I579 W581 R587	I579-Q583 HydrophobicContact CG2-CG 4.49Å; I579-Q583 VanDerWaalsContact CG2-NE2 3.3Å; I579-Q583 WeakPolarHBondContact O-CB 3.4Å; I579-Q583 WeakPolarHBondContact O-CG 3.24Å; I579-Q583 PolarHBondContact O-N 3.37Å; W581-Q583 PolarHBondContact O-N 2.98Å; Q583-R587 WeakPolarHBondContact O-CG 3.32Å; Q583-R587 PolarHBondContact O-N 3.49Å
584	A	85.9	Confident	81.3	Confident	13 Å²	13	46.8 Å²	46.8	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-67.7	-42.3	178.8	0	0	0	0	0	111.8	H490 L512 L580 W581 A588	H490-A584 HydrophobicContact CB-CB 3.71Å; L512-A584 HydrophobicContact CD2-CB 3.87Å; L512-A584 WeakPolarHBondContact CD2-O 3.32Å; L580-A584 VanDerWaalsContact O-CB 3.26Å; L580-A584 WeakPolarHBondContact O-CB 3.4Å; L580-A584 PolarHBondContact O-N 3.32Å; W581-A584 PolarHBondContact O-N 3.38Å; A584-A588 PolarHBondContact O-N 3.32Å
585	M	88	Confident	81.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.9	-38.6	175.9	-73	-177.5	60.3	0	0	112.2	L512 M522 L538 V543 F559 A561 F570 W581 R587 A588 T589	L512-M585 HydrophobicContact CD2-CG 4.39Å; M522-M585 HydrophobicContact CE-SD 4.31Å; L538-M585 HydrophobicContact CD1-CE 4.26Å; L538-M585 HydrophobicContact CD1-CG 4.2Å; L538-M585 HydrophobicContact CD2-CE 4.06Å; V543-M585 HydrophobicContact CB-CB 4.18Å; V543-M585 HydrophobicContact CG1-CB 3.91Å; V543-M585 HydrophobicContact CG2-CB 4.16Å; V543-M585 HydrophobicContact CG2-CE 4.42Å; F559-M585 HydrophobicContact CE2-SD 3.83Å; A561-M585 HydrophobicContact CB-CE 3.95Å; F570-M585 HydrophobicContact CE2-CE 4.13Å; W581-M585 WeakPolarHBondContact O-CB 3.43Å; W581-M585 WeakPolarHBondContact O-CG 3.49Å; W581-M585 PolarHBondContact O-N 2.81Å; M585-R587 PolarHBondContact O-N 2.68Å; M585-A588 WeakPolarHBondContact O-CB 3.43Å; M585-A588 PolarHBondContact O-N 3.38Å; M585-A588 VanDerWaalsContact O-N 3.11Å; M585-T589 WeakPolarHBondContact O-CG2 3.3Å; M585-T589 PolarHBondContact O-N 2.69Å; M585-T589 PolarHBondContact O-OG1 2.94Å; M585-T589 VanDerWaalsContact O-OG1 3.12Å
586	Y	84.4	Confident	80.8	Confident	35 Å²	35	46.1 Å²	46.1	14%	0.137	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-41.3	175.1	160.8	-104.9	0	0	0	112.8	R275 V582 A588 T589 G590 Q591 Y593 K594 P595	R275-Y586 PolarHBondContact NH1-OH 3.48Å; V582-Y586 WeakPolarHBondContact O-CB 3.48Å; V582-Y586 PolarHBondContact O-N 2.74Å; Y586-A588 VanDerWaalsContact C-N 3.35Å; Y586-T589 PolarHBondContact O-OG1 3.1Å; Y586-G590 PolarHBondContact O-N 3.07Å; Y586-G590 VanDerWaalsContact O-N 3.09Å; Y586-Q591 HydrophobicContact CD2-CG 3.71Å; Y586-Q591 HydrophobicContact CE2-CG 4.1Å; Y586-Y593 WeakPolarHBondContact CE2-O 2.99Å; Y586-K594 HydrophobicContact CE1-CG 4.36Å; Y586-K594 HydrophobicContact CE2-CB 4.16Å; Y586-K594 HydrophobicContact CE2-CG 4.48Å; Y586-P595 HydrophobicContact CD2-CG 4.26Å
587	R	81	Confident	80.2	Confident	77 Å²	77	43 Å²	43	29%	0.291	22%	0.221	S	C	.	.	H	α-helix	trans	-65.4	-38.2	173.5	-71.5	170.7	174.9	152	-8.1	112.1	E268 R274 Q583 M585	E268-R587 VanDerWaalsContact CD-NE 3.28Å; E268-R587 VanDerWaalsContact CD-NH2 3.33Å; E268-R587 HydrophobicContact CG-CG 4.11Å; E268-R587 IonicContact OE1-CZ 3.19Å; E268-R587 IonicContact OE1-NE 3.75Å; E268-R587 PolarHBondContact OE1-NE 3.17Å; E268-R587 IonicContact OE1-NH2 2.77Å; E268-R587 PolarHBondContact OE1-NH2 2.9Å; E268-R587 IonicContact OE2-NH2 2.77Å; R274-R587 PolarHBondContact NH2-O 3.25Å; Q583-R587 WeakPolarHBondContact O-CG 3.32Å; Q583-R587 PolarHBondContact O-N 3.49Å; M585-R587 PolarHBondContact O-N 2.68Å
588	A	82.3	Confident	79	Confident	3 Å²	3	45.1 Å²	45.1	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-67.4	-55.8	178.4	0	0	0	0	0	111.9	R274 L512 F520 L538 A584 M585 Y586 G590	R274-A588 PolarHBondContact NH1-O 2.69Å; L512-A588 HydrophobicContact CD1-CB 4.27Å; L512-A588 HydrophobicContact CD2-CB 4.21Å; F520-A588 HydrophobicContact CB-CB 3.61Å; F520-A588 HydrophobicContact CD1-CB 3.62Å; F520-A588 HydrophobicContact CD2-CB 3.76Å; F520-A588 VanDerWaalsContact CD2-O 3.3Å; F520-A588 WeakPolarHBondContact CD2-O 3.28Å; F520-A588 HydrophobicContact CE1-CB 4.17Å; F520-A588 HydrophobicContact CE2-CB 4.33Å; F520-A588 HydrophobicContact CG-CB 3.38Å; F520-A588 HydrophobicContact CZ-CB 4.5Å; L538-A588 HydrophobicContact CD1-CB 3.96Å; A584-A588 PolarHBondContact O-N 3.32Å; M585-A588 WeakPolarHBondContact O-CB 3.43Å; M585-A588 PolarHBondContact O-N 3.38Å; M585-A588 VanDerWaalsContact O-N 3.11Å; Y586-A588 VanDerWaalsContact C-N 3.35Å; A588-G590 VanDerWaalsContact C-N 3.29Å; A588-G590 PolarHBondContact O-N 2.68Å
589	T	81.6	Confident	77.1	Confident	21 Å²	21	50.7 Å²	50.7	13%	0.129	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-36.3	179.7	57.1	0	0	0	0	112.9	L538 Y541 M585 Y586 Q591	L538-T589 HydrophobicContact CB-CG2 4.23Å; Y541-T589 WeakPolarHBondContact O-CB 3.23Å; Y541-T589 WeakPolarHBondContact O-CG2 2.95Å; M585-T589 WeakPolarHBondContact O-CG2 3.3Å; M585-T589 PolarHBondContact O-N 2.69Å; M585-T589 PolarHBondContact O-OG1 2.94Å; M585-T589 VanDerWaalsContact O-OG1 3.12Å; Y586-T589 PolarHBondContact O-OG1 3.1Å; T589-Q591 PolarHBondContact O-N 3.38Å; T589-Q591 PolarHBondContact OG1-OE1 3.26Å; T589-Q591 VanDerWaalsContact OG1-OE1 3.05Å
590	G	68.6	Low	75	Confident	12 Å²	12	57.6 Å²	57.6	12%	0.124	31%	0.305	C	S	.	.			trans	71.4	14	-177.4	0	0	0	0	0	114.2	R275 Y586 A588	R275-G590 VanDerWaalsContact CG-O 3.25Å; R275-G590 WeakPolarHBondContact CG-O 3.37Å; Y586-G590 PolarHBondContact O-N 3.07Å; Y586-G590 VanDerWaalsContact O-N 3.09Å; A588-G590 VanDerWaalsContact C-N 3.29Å; A588-G590 PolarHBondContact O-N 2.68Å
591	Q	71.8	Confident	72.4	Confident	13 Å²	13	60.4 Å²	60.4	6%	0.061	33%	0.325	C	S	.	.			trans	-52.9	147.4	-177.7	72.8	-166.1	62.2	0	0	113.3	R275 T542 V543 Y586 T589 Y593	R275-Q591 VanDerWaalsContact CD-O 3.23Å; R275-Q591 WeakPolarHBondContact CD-O 3.22Å; T542-Q591 HydrophobicContact CG2-CB 3.93Å; V543-Q591 PolarHBondContact O-NE2 2.91Å; Y586-Q591 HydrophobicContact CD2-CG 3.71Å; Y586-Q591 HydrophobicContact CE2-CG 4.1Å; T589-Q591 PolarHBondContact O-N 3.38Å; T589-Q591 PolarHBondContact OG1-OE1 3.26Å; T589-Q591 VanDerWaalsContact OG1-OE1 3.05Å; Q591-Y593 WeakPolarHBondContact CG-O 3.2Å; Q591-Y593 PolarHBondContact NE2-O 2.91Å; Q591-Y593 PolarHBondContact O-N 3.39Å
592	S	58.6	Low	69.8	Low	66 Å²	66	69.3 Å²	69.3	46%	0.462	37%	0.367	S	S	.	.	S	Bend	trans	-57.2	-46.1	-172.4	56.2	0	0	0	0	114.1	R275	R275-S592 WeakPolarHBondContact CD-O 2.81Å; R275-S592 PolarHBondContact NH1-O 2.92Å
593	Y	67.4	Low	67.2	Low	95 Å²	95	78.7 Å²	78.7	37%	0.373	41%	0.408	S	S	.	.	S	Bend	trans	-100.3	143.3	-174.9	64.6	-85	0	0	0	113.1	T542 D544 Y586 Q591	T542-Y593 HydrophobicContact CG2-CE1 4.31Å; T542-Y593 PolarHBondContact OG1-OH 3.19Å; D544-Y593 WeakPolarHBondContact OD2-CE2 3.37Å; D544-Y593 VanDerWaalsContact OD2-CZ 3.29Å; D544-Y593 PolarHBondContact OD2-OH 2.93Å; Y586-Y593 WeakPolarHBondContact CE2-O 2.99Å; Q591-Y593 WeakPolarHBondContact CG-O 3.2Å; Q591-Y593 PolarHBondContact NE2-O 2.91Å; Q591-Y593 PolarHBondContact O-N 3.39Å
594	K	73.6	Confident	64.6	Low	143 Å²	143	82.7 Å²	82.7	62%	0.622	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-79.2	126.7	176.6	-175.2	178.3	178.5	179.3	0	110.4	Y586 V596	Y586-K594 HydrophobicContact CE1-CG 4.36Å; Y586-K594 HydrophobicContact CE2-CB 4.16Å; Y586-K594 HydrophobicContact CE2-CG 4.48Å; K594-V596 PolarHBondContact O-N 3.33Å
595	P	81.4	Confident	61.9	Low	10 Å²	10	89.1 Å²	89.1	7%	0.065	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-60.6	133.5	174.1	-26.2	36.6	0	0	0	111.5	V543 Y545 V582 Y586	V543-P595 HydrophobicContact CG1-CG 4.34Å; V543-P595 WeakPolarHBondContact O-CG 3.14Å; Y545-P595 HydrophobicContact CD2-CB 3.84Å; Y545-P595 HydrophobicContact CE2-CB 3.69Å; V582-P595 HydrophobicContact CG1-CB 3.68Å; V582-P595 HydrophobicContact CG1-CG 3.94Å; Y586-P595 HydrophobicContact CD2-CG 4.26Å
596	V	75.6	Confident	60.1	Low	109 Å²	109	94.2 Å²	94.2	66%	0.661	50%	0.496	S	S	*	.			trans	-113.8	126	179.1	-175.7	0	0	0	0	108.8	Y545 K594 A598	Y545-V596 WeakPolarHBondContact CD2-O 3.37Å; K594-V596 PolarHBondContact O-N 3.33Å; V596-A598 PolarHBondContact O-N 3.41Å
597	P	72.2	Confident	57.5	Low	52 Å²	52	102.8 Å²	102.8	34%	0.338	53%	0.534	S	S	.	.			trans	-60	132.4	172.6	-18.4	28.9	0	0	0	110.2	Y545 I599	Y545-P597 HydrophobicContact CD2-CG 4.43Å; Y545-P597 HydrophobicContact CE1-CB 4.36Å; Y545-P597 HydrophobicContact CE1-CG 4.14Å; Y545-P597 HydrophobicContact CE2-CB 4.39Å; Y545-P597 HydrophobicContact CE2-CG 3.83Å; P597-I599 PolarHBondContact O-N 2.84Å
598	A	60	Low	55	Low	79 Å²	79	103.2 Å²	103.2	65%	0.653	56%	0.562	S	S	*	*			trans	-65.1	106.1	175.6	0	0	0	0	0	109.8	V596 Q600	V596-A598 PolarHBondContact O-N 3.41Å; A598-Q600 PolarHBondContact O-N 2.94Å; A598-Q600 VanDerWaalsContact O-N 3.11Å
599	I	46.8	Very low	52.4	Low	149 Å²	149	106.8 Å²	106.8	76%	0.764	60%	0.6	S	S	*	*			trans	-65.3	112.9	177.4	-59.7	175.1	0	0	0	108	P597 T601	P597-I599 PolarHBondContact O-N 2.84Å; I599-T601 PolarHBondContact O-N 3.17Å
600	Q	43.1	Very low	50.3	Low	182 Å²	182	112.5 Å²	112.5	85%	0.85	64%	0.635	S	S	*	*			trans	-65.9	101.5	174.4	-68.9	-172.5	7.3	0	0	109.8	A598 Q602	A598-Q600 PolarHBondContact O-N 2.94Å; A598-Q600 VanDerWaalsContact O-N 3.11Å; Q600-Q602 PolarHBondContact O-N 2.96Å
601	T	33.8	Very low	48.6	Very low	131 Å²	131	119.6 Å²	119.6	80%	0.804	67%	0.669	S	S	*	*			trans	-66.9	95.9	174.4	37	0	0	0	0	110.1	I599 K603	I599-T601 PolarHBondContact O-N 3.17Å; T601-K603 PolarHBondContact O-N 2.92Å
602	Q	35.3	Very low	46.6	Very low	187 Å²	187	127.3 Å²	127.3	87%	0.874	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-58.7	135	172.4	-71.2	-170	-6.3	0	0	110.3	Q600	Q600-Q602 PolarHBondContact O-N 2.96Å
603	K	34	Very low	45.7	Very low	200 Å²	200	128.1 Å²	128.1	87%	0.87	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-69	143.9	-178.4	-67.9	177.5	178.7	175.7	0	111	T601 N605	T601-K603 PolarHBondContact O-N 2.92Å; K603-N605 PolarHBondContact O-N 3.23Å
604	L	30.9	Very low	44	Very low	159 Å²	159	131.7 Å²	131.7	83%	0.832	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-58.2	132.5	170.9	-60.7	104.1	0	0	0	111.3
605	N	30	Very low	42.1	Very low	148 Å²	148	129.6 Å²	129.6	79%	0.791	75%	0.751	S	S	*	*				-174	165.3	93	-107.3	-19.9	0	0	0	112.7	K603	K603-N605 PolarHBondContact O-N 3.23Å
606	P	49.3	Very low	39.9	Very low	107 Å²	107	136.6 Å²	136.6	70%	0.695	78%	0.783	S	S	*	*			trans	-98.3	155.2	-157.7	36.9	-37.8	0	0	0	116
607	K	29.6	Very low	38	Very low	215 Å²	215	139.4 Å²	139.4	94%	0.935	79%	0.793	S	S	*	*			trans	-159.2	154.5	133.8	-106	155.1	-172.9	177	0	109.9
608	G	29.2	Very low	36.3	Very low	86 Å²	86	142.7 Å²	142.7	89%	0.887	82%	0.817	S	S	*	*			trans	-81.2	156.4	-166.4	0	0	0	0	0	115.1
609	G	28.2	Very low	35.1	Very low	79 Å²	79	141.1 Å²	141.1	81%	0.814	81%	0.808	S	S	*	*			trans	176	106.9	173.3	0	0	0	0	0	110.6
610	T	36.9	Very low	34.4	Very low	140 Å²	140	140.7 Å²	140.7	86%	0.859	80%	0.801	S	S	*	*			trans	-72.2	143	173.9	44.1	0	0	0	0	111.5
611	L	31.9	Very low	34.2	Very low	162 Å²	162	137.5 Å²	137.5	85%	0.848	79%	0.79	S	S	*	*			trans	-167.1	163	132.8	-102.5	174.5	0	0	0	111.3
612	H	31.5	Very low	34.4	Very low	174 Å²	174	134.4 Å²	134.4	81%	0.806	78%	0.777	S	S	*	*			trans	-55.8	139.4	-175	-69.9	-94.3	0	0	0	113.2
613	A	39.5	Very low	34.4	Very low	84 Å²	84	130.9 Å²	130.9	69%	0.694	77%	0.765	S	S	*	*			cis	89.3	94.3	45.8	0	0	0	0	0	113.6
614	D	31.2	Very low	34.9	Very low	169 Å²	169	130.2 Å²	130.2	90%	0.904	76%	0.757	S	S	*	*			trans	-158.7	38	164.1	-124.4	-14.2	0	0	0	113.1
615	A	34.1	Very low	35.4	Very low	100 Å²	100	125.4 Å²	125.4	83%	0.826	73%	0.729	S	S	*	*			trans	-135.6	36.4	-170.8	0	0	0	0	0	114.1
616	Q	33.9	Very low	36.2	Very low	157 Å²	157	125.2 Å²	125.2	73%	0.734	72%	0.723	S	S	*	*			trans	-125.3	21.7	-169.1	-113.8	-173.8	12.2	0	0	116.3
617	L	36.6	Very low	36.1	Very low	167 Å²	167	128.7 Å²	128.7	87%	0.874	73%	0.728	S	S	*	*	S	Bend	trans	-108	-5.6	-179.9	-76.9	166.8	0	0	0	115.6
618	S	36.7	Very low	37.4	Very low	122 Å²	122	123 Å²	123	85%	0.853	71%	0.705	S	S	*	*	S	Bend	trans	-107.8	-15.1	-178.9	-164	0	0	0	0	114.5
619	G	33.8	Very low	38.9	Very low	45 Å²	45	121 Å²	121	46%	0.464	68%	0.684	S	S	.	*	S	Bend	trans	-94.8	-12.4	-173.1	0	0	0	0	0	116.6	D621	G619-D621 PolarHBondContact O-N 3.37Å
620	K	32.4	Very low	40.9	Very low	141 Å²	141	117.8 Å²	117.8	61%	0.613	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-23.2	-164.9	-81.9	-177.6	176.2	173.3	0	115.5
621	D	39.2	Very low	42.5	Very low	115 Å²	115	114.2 Å²	114.2	62%	0.615	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-37.3	179.8	-61.6	-57.8	0	0	0	111.9	G619 D623 R624 F625	G619-D621 PolarHBondContact O-N 3.37Å; D621-D623 PolarHBondContact O-N 3.38Å; D621-R624 WeakPolarHBondContact O-CB 3.34Å; D621-R624 PolarHBondContact O-N 3.01Å; D621-R624 VanDerWaalsContact O-N 3.07Å; D621-F625 PolarHBondContact O-N 3.45Å
622	A	37.4	Very low	44.7	Very low	65 Å²	65	112.4 Å²	112.4	54%	0.537	61%	0.611	S	S	.	*	H	α-helix	trans	-60.1	-46.3	176.1	0	0	0	0	0	112.4	R624 F625	A622-R624 PolarHBondContact O-N 3.11Å; A622-R624 VanDerWaalsContact O-N 3.07Å; A622-F625 PolarHBondContact O-N 3.45Å
623	D	36.6	Very low	47	Very low	114 Å²	114	105.2 Å²	105.2	61%	0.61	58%	0.577	S	S	*	*	H	α-helix	trans	-61.4	-15.2	175.8	-91.8	5.9	0	0	0	113.8	D621	D621-D623 PolarHBondContact O-N 3.38Å
624	R	43.7	Very low	48.9	Very low	185 Å²	185	102.9 Å²	102.9	70%	0.698	55%	0.552	S	S	*	*	H	α-helix	trans	-93.8	-27.9	-178.7	-146.3	174.5	-173.3	-170.3	0.1	112.8	D621 A622 H628	D621-R624 WeakPolarHBondContact O-CB 3.34Å; D621-R624 PolarHBondContact O-N 3.01Å; D621-R624 VanDerWaalsContact O-N 3.07Å; A622-R624 PolarHBondContact O-N 3.11Å; A622-R624 VanDerWaalsContact O-N 3.07Å; R624-H628 PolarHBondContact O-ND1 3.47Å
625	F	42.3	Very low	50.9	Low	59 Å²	59	99.4 Å²	99.4	26%	0.259	54%	0.541	S	S	.	.	H	α-helix	trans	-71.7	-47.2	174.5	-89.5	-100.4	0	0	0	112	L256 A260 D621 A622 K627 H628	L256-F625 HydrophobicContact CD2-CE1 4.02Å; L256-F625 HydrophobicContact CD2-CZ 4.07Å; A260-F625 HydrophobicContact CB-CE1 4.42Å; D621-F625 PolarHBondContact O-N 3.45Å; A622-F625 PolarHBondContact O-N 3.45Å; F625-K627 PolarHBondContact O-N 2.89Å; F625-H628 PolarHBondContact O-N 3.13Å
626	Q	45.4	Very low	53	Low	143 Å²	143	95.8 Å²	95.8	67%	0.668	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-55	-25.5	-177.3	-73.3	-168.2	-15.4	0	0	114.6	H628	Q626-H628 VanDerWaalsContact C-N 3.27Å; Q626-H628 PolarHBondContact O-N 3.34Å
627	K	48	Very low	55.1	Low	180 Å²	180	92.1 Å²	92.1	78%	0.783	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-76.9	-4.4	180	-67.8	-172.3	179.5	-179.5	0	115.1	F625	F625-K627 PolarHBondContact O-N 2.89Å
628	H	56.1	Low	57.2	Low	97 Å²	97	84.7 Å²	84.7	45%	0.449	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-115.7	-1	-173.1	-65.9	93.6	0	0	0	114.8	L256 R624 F625 Q626 M630	L256-H628 HydrophobicContact CD1-CB 4.28Å; R624-H628 PolarHBondContact O-ND1 3.47Å; F625-H628 PolarHBondContact O-N 3.13Å; Q626-H628 VanDerWaalsContact C-N 3.27Å; Q626-H628 PolarHBondContact O-N 3.34Å; H628-M630 PolarHBondContact O-N 3.27Å; H628-M630 VanDerWaalsContact O-N 3.07Å
629	G	62.5	Low	59.3	Low	44 Å²	44	80.2 Å²	80.2	45%	0.454	43%	0.427	S	S	.	.	S	Bend	trans	68.3	2.2	175.3	0	0	0	0	0	116.1	D631	G629-D631 VanDerWaalsContact C-N 3.29Å; G629-D631 PolarHBondContact O-N 3.5Å
630	M	69.1	Low	61.5	Low	11 Å²	11	86.4 Å²	86.4	5%	0.054	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-21.2	-175.6	-67.1	-64.5	171.1	0	0	113.8	L85 E253 L256 L257 H628 E632 F633 I634	L85-M630 HydrophobicContact CD1-CE 4.27Å; L85-M630 HydrophobicContact CD2-CE 4.17Å; L85-M630 HydrophobicContact CD2-SD 4.37Å; E253-M630 HydrophobicContact CB-CE 4.23Å; E253-M630 HydrophobicContact CG-CE 3.9Å; L256-M630 HydrophobicContact CD1-CG 4.36Å; L257-M630 HydrophobicContact CD2-CB 4.27Å; L257-M630 HydrophobicContact CD2-SD 4.26Å; H628-M630 PolarHBondContact O-N 3.27Å; H628-M630 VanDerWaalsContact O-N 3.07Å; M630-E632 PolarHBondContact O-N 2.85Å; M630-F633 PolarHBondContact O-N 3.49Å; M630-F633 HydrophobicContact SD-CD2 4Å; M630-F633 HydrophobicContact SD-CE2 4.22Å; M630-I634 HydrophobicContact CB-CD1 4.28Å; M630-I634 WeakPolarHBondContact O-CD1 3.44Å; M630-I634 WeakPolarHBondContact O-CG1 3.44Å; M630-I634 PolarHBondContact O-N 3.47Å
631	D	70.2	Confident	64	Low	64 Å²	64	82.9 Å²	82.9	34%	0.342	43%	0.428	S	S	.	.	H	α-helix	trans	-60.2	-27.6	-178.8	-60.5	-28.7	0	0	0	112.6	G629 S635	G629-D631 VanDerWaalsContact C-N 3.29Å; G629-D631 PolarHBondContact O-N 3.5Å; D631-S635 VanDerWaalsContact O-CB 3.25Å; D631-S635 WeakPolarHBondContact O-CB 3.34Å; D631-S635 PolarHBondContact O-N 3.29Å; D631-S635 PolarHBondContact O-OG 3.29Å
632	E	78.2	Confident	66.3	Low	125 Å²	125	82 Å²	82	58%	0.584	42%	0.424	S	S	*	.	H	α-helix	trans	-61.1	-51.9	174.6	-171.8	176.6	176.1	0	0	111.3	M630 I634 S635 A636	M630-E632 PolarHBondContact O-N 2.85Å; E632-I634 VanDerWaalsContact C-N 3.32Å; E632-I634 PolarHBondContact O-N 3.18Å; E632-S635 PolarHBondContact O-N 2.92Å; E632-S635 PolarHBondContact O-OG 3.41Å; E632-A636 PolarHBondContact O-N 3.25Å
633	F	79.7	Confident	68.8	Low	22 Å²	22	79.8 Å²	79.8	10%	0.096	40%	0.402	C	S	.	.	H	α-helix	trans	-69.1	-29.9	-178.9	-49.8	-69.1	0	0	0	113.2	R82 L85 Q86 V89 M630	R82-F633 HydrophobicContact CB-CE1 4.22Å; R82-F633 HydrophobicContact CB-CZ 4.37Å; R82-F633 HydrophobicContact CG-CE1 4.48Å; R82-F633 HydrophobicContact CG-CZ 4.2Å; L85-F633 HydrophobicContact CB-CD2 4.48Å; L85-F633 HydrophobicContact CB-CE2 4.43Å; L85-F633 HydrophobicContact CB-CZ 4.47Å; L85-F633 HydrophobicContact CD1-CE2 4.18Å; L85-F633 HydrophobicContact CD1-CZ 4.37Å; Q86-F633 HydrophobicContact CB-CD1 4.03Å; Q86-F633 PolarHBondContact NE2-O 3.41Å; V89-F633 HydrophobicContact CG2-CB 3.88Å; M630-F633 PolarHBondContact O-N 3.49Å; M630-F633 HydrophobicContact SD-CD2 4Å; M630-F633 HydrophobicContact SD-CE2 4.22Å
634	I	79.3	Confident	71.2	Confident	36 Å²	36	76 Å²	76	19%	0.185	39%	0.387	C	S	.	.	H	α-helix	trans	-75.7	-42.6	178.6	-62	158.3	0	0	0	110.5	R93 L257 A260 M630 E632	R93-I634 PolarHBondContact NH2-O 2.92Å; L257-I634 HydrophobicContact CD2-CD1 3.97Å; L257-I634 HydrophobicContact CD2-CG1 3.78Å; A260-I634 HydrophobicContact CB-CD1 3.56Å; A260-I634 HydrophobicContact CB-CG1 4.27Å; A260-I634 HydrophobicContact CB-CG2 4.45Å; M630-I634 HydrophobicContact CB-CD1 4.28Å; M630-I634 WeakPolarHBondContact O-CD1 3.44Å; M630-I634 WeakPolarHBondContact O-CG1 3.44Å; M630-I634 PolarHBondContact O-N 3.47Å; E632-I634 VanDerWaalsContact C-N 3.32Å; E632-I634 PolarHBondContact O-N 3.18Å
635	S	73.5	Confident	73.5	Confident	96 Å²	96	72.4 Å²	72.4	67%	0.671	38%	0.376	S	S	*	.	H	α-helix	trans	-82.7	-10.1	-179.2	64.7	0	0	0	0	114.5	D631 E632 N637	D631-S635 VanDerWaalsContact O-CB 3.25Å; D631-S635 WeakPolarHBondContact O-CB 3.34Å; D631-S635 PolarHBondContact O-N 3.29Å; D631-S635 PolarHBondContact O-OG 3.29Å; E632-S635 PolarHBondContact O-N 2.92Å; E632-S635 PolarHBondContact O-OG 3.41Å; S635-N637 PolarHBondContact O-N 2.9Å
636	A	79.3	Confident	75.9	Confident	23 Å²	23	70.2 Å²	70.2	19%	0.19	37%	0.367	C	S	.	.			trans	-51.1	129	174.1	0	0	0	0	0	112.3	Q86 E632 P638	Q86-A636 VanDerWaalsContact OE1-CB 3.25Å; E632-A636 PolarHBondContact O-N 3.25Å; A636-P638 WeakPolarHBondContact O-CD 3.19Å
637	N	76.4	Confident	78.2	Confident	80 Å²	80	63.4 Å²	63.4	43%	0.428	34%	0.336	S	S	.	.			trans	-79.8	117.7	176.3	-177.7	-33.3	0	0	0	109.4	S635 C639 K640	S635-N637 PolarHBondContact O-N 2.9Å; N637-C639 VanDerWaalsContact C-N 3.26Å; N637-C639 PolarHBondContact O-N 3.11Å; N637-C639 WeakPolarHBondContact OD1-CB 3.31Å; N637-C639 PolarHBondContact OD1-N 3.06Å; N637-K640 HydrophobicContact CB-CD 4.24Å; N637-K640 HydrophobicContact CB-CG 4.27Å; N637-K640 PolarHBondContact O-N 2.92Å
638	P	81.1	Confident	80.3	Confident	12 Å²	12	60 Å²	60	8%	0.078	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-57.7	-38.1	-177.6	-22.3	31.8	0	0	0	112.9	F90 E276 A636 K640 L641 H643 Y684	F90-P638 HydrophobicContact CE1-CB 4.21Å; F90-P638 HydrophobicContact CE1-CG 3.94Å; E276-P638 HydrophobicContact CG-CG 4.26Å; A636-P638 WeakPolarHBondContact O-CD 3.19Å; P638-K640 PolarHBondContact O-N 3.42Å; P638-L641 PolarHBondContact O-N 2.86Å; P638-H643 PolarHBondContact O-NE2 2.88Å; P638-H643 VanDerWaalsContact O-NE2 3.16Å; P638-Y684 HydrophobicContact CB-CD1 3.99Å; P638-Y684 HydrophobicContact CB-CE1 3.84Å; P638-Y684 HydrophobicContact CG-CE1 4.12Å
639	C	80.4	Confident	82.1	Confident	28 Å²	28	56.4 Å²	56.4	19%	0.189	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-71.6	9.3	-175.8	-55.9	0	0	0	0	114.1	R280 N637	R280-C639 PolarHBondContact N-SG 3.49Å; N637-C639 VanDerWaalsContact C-N 3.26Å; N637-C639 PolarHBondContact O-N 3.11Å; N637-C639 WeakPolarHBondContact OD1-CB 3.31Å; N637-C639 PolarHBondContact OD1-N 3.06Å
640	K	80.4	Confident	83.6	Confident	175 Å²	175	54.3 Å²	54.3	76%	0.761	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-113.7	-2.3	173.1	-63.7	-173.6	179.5	-179.9	0	113.5	N637 P638	N637-K640 HydrophobicContact CB-CD 4.24Å; N637-K640 HydrophobicContact CB-CG 4.27Å; N637-K640 PolarHBondContact O-N 2.92Å; P638-K640 PolarHBondContact O-N 3.42Å
641	L	84.9	Confident	84.7	Confident	66 Å²	66	53.9 Å²	53.9	35%	0.346	28%	0.278	S	S	.	.	S	Bend	trans	-109.6	148.2	-174.6	-62.1	174.6	0	0	0	111.4	Q86 F90 P638 H643 L646	Q86-L641 HydrophobicContact CG-CD1 4.05Å; F90-L641 HydrophobicContact CE2-CD1 3.66Å; F90-L641 HydrophobicContact CZ-CD1 3.58Å; P638-L641 PolarHBondContact O-N 2.86Å; L641-H643 PolarHBondContact O-N 3.17Å; L641-L646 HydrophobicContact CB-CD1 4.14Å
642	D	86.8	Confident	85.8	Confident	98 Å²	98	55.4 Å²	55.4	52%	0.524	28%	0.279	S	S	.	.			trans	-77.2	88.5	173.9	-175.5	-8.8	0	0	0	110.6	A644 F645 L646	D642-A644 PolarHBondContact O-N 3.45Å; D642-A644 WeakPolarHBondContact OD1-CA 3.3Å; D642-A644 WeakPolarHBondContact OD1-CB 3.36Å; D642-A644 PolarHBondContact OD1-N 3.38Å; D642-F645 HydrophobicContact CB-CB 4.11Å; D642-F645 PolarHBondContact O-N 3.47Å; D642-F645 PolarHBondContact OD1-N 2.84Å; D642-F645 WeakPolarHBondContact OD2-CB 3.43Å; D642-L646 WeakPolarHBondContact O-CB 3.41Å; D642-L646 VanDerWaalsContact O-CG 3.24Å; D642-L646 WeakPolarHBondContact O-CG 3.35Å; D642-L646 PolarHBondContact O-N 3.22Å
643	H	90.5	Very high	86.5	Confident	17 Å²	17	50.2 Å²	50.2	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-17.5	174.9	-75.6	-75.7	0	0	0	113.7	F90 P638 L641 F647 Y680 Y684 V686	F90-H643 AromaticContact CD2-CE1 3.88Å; F90-H643 AromaticContact CE2-CE1 3.86Å; P638-H643 PolarHBondContact O-NE2 2.88Å; P638-H643 VanDerWaalsContact O-NE2 3.16Å; L641-H643 PolarHBondContact O-N 3.17Å; H643-F647 WeakPolarHBondContact O-CB 3.46Å; H643-F647 PolarHBondContact O-N 3.44Å; H643-Y680 AromaticContact ND1-CE1 3.95Å; H643-Y680 AromaticContact ND1-CZ 3.61Å; H643-Y680 PolarHBondContact ND1-OH 2.98Å; H643-Y684 AromaticContact CE1-CD1 3.45Å; H643-Y684 VanDerWaalsContact CE1-CD1 3.45Å; H643-Y684 WeakPolarHBondContact CE1-CD1 3.17Å; H643-Y684 AromaticContact CE1-CG 3.48Å; H643-Y684 VanDerWaalsContact CE1-CG 3.48Å; H643-Y684 AromaticContact ND1-CG 3.7Å; H643-Y684 AromaticContact NE2-CD1 3.57Å; H643-Y684 AromaticContact NE2-CG 3.92Å; H643-V686 HydrophobicContact CB-CG2 4.21Å
644	A	88.4	Confident	87.1	Confident	34 Å²	34	49.2 Å²	49.2	28%	0.281	25%	0.25	S	S	.	.	H	α-helix	trans	-77.6	-40.6	176.1	0	0	0	0	0	111.4	D642 R648 H690	D642-A644 PolarHBondContact O-N 3.45Å; D642-A644 WeakPolarHBondContact OD1-CA 3.3Å; D642-A644 WeakPolarHBondContact OD1-CB 3.36Å; D642-A644 PolarHBondContact OD1-N 3.38Å; A644-R648 PolarHBondContact O-N 3.4Å; A644-H690 PolarHBondContact O-NE2 3.36Å
645	F	90.9	Very high	87.7	Confident	110 Å²	110	47.5 Å²	47.5	48%	0.482	24%	0.241	S	C	.	.	H	α-helix	trans	-65.8	-50.7	169.5	174.1	-101.8	0	0	0	111.8	D642 F647 R648 I649	D642-F645 HydrophobicContact CB-CB 4.11Å; D642-F645 PolarHBondContact O-N 3.47Å; D642-F645 PolarHBondContact OD1-N 2.84Å; D642-F645 WeakPolarHBondContact OD2-CB 3.43Å; F645-F647 VanDerWaalsContact C-N 3.32Å; F645-F647 PolarHBondContact O-N 3.33Å; F645-R648 PolarHBondContact O-N 3Å; F645-R648 VanDerWaalsContact O-N 3.15Å; F645-I649 HydrophobicContact CD1-CD1 4.28Å; F645-I649 HydrophobicContact CE1-CD1 3.62Å; F645-I649 HydrophobicContact CE2-CD1 4.37Å; F645-I649 HydrophobicContact CZ-CD1 3.68Å; F645-I649 PolarHBondContact O-N 2.86Å
646	L	92.1	Very high	88.5	Confident	14 Å²	14	45.1 Å²	45.1	7%	0.073	22%	0.221	C	C	.	.	H	α-helix	trans	-59.9	-41.4	-179.8	-68.4	173.8	0	0	0	111.7	I83 L87 F90 L641 D642 R648 I649 L650	I83-L646 HydrophobicContact CG2-CD2 3.84Å; L87-L646 HydrophobicContact CD2-CB 3.9Å; L87-L646 HydrophobicContact CG-CB 4.37Å; L87-L646 HydrophobicContact CG-CD2 4.25Å; F90-L646 HydrophobicContact CE2-CD1 4.47Å; L641-L646 HydrophobicContact CB-CD1 4.14Å; D642-L646 WeakPolarHBondContact O-CB 3.41Å; D642-L646 VanDerWaalsContact O-CG 3.24Å; D642-L646 WeakPolarHBondContact O-CG 3.35Å; D642-L646 PolarHBondContact O-N 3.22Å; L646-R648 VanDerWaalsContact C-N 3.35Å; L646-R648 PolarHBondContact O-N 2.9Å; L646-I649 PolarHBondContact O-N 3.48Å; L646-L650 PolarHBondContact O-N 2.65Å; L646-L650 VanDerWaalsContact O-N 3.11Å
647	F	94.2	Very high	89	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-36.4	176.9	-178.8	-94.6	0	0	0	113.1	H643 F645 I649 L650 Q651 L677 Y680 C681 V686 R691	H643-F647 WeakPolarHBondContact O-CB 3.46Å; H643-F647 PolarHBondContact O-N 3.44Å; F645-F647 VanDerWaalsContact C-N 3.32Å; F645-F647 PolarHBondContact O-N 3.33Å; F647-I649 VanDerWaalsContact C-N 3.33Å; F647-I649 PolarHBondContact O-N 3.4Å; F647-L650 PolarHBondContact O-N 2.71Å; F647-Q651 HydrophobicContact CD1-CB 4.37Å; F647-Q651 HydrophobicContact CE1-CB 3.94Å; F647-Q651 HydrophobicContact CE1-CG 4.22Å; F647-Q651 HydrophobicContact CZ-CB 4.2Å; F647-Q651 HydrophobicContact CZ-CG 4.44Å; F647-Q651 VanDerWaalsContact O-CB 3.26Å; F647-Q651 WeakPolarHBondContact O-CB 3.26Å; F647-Q651 PolarHBondContact O-N 3.03Å; F647-L677 HydrophobicContact CE2-CB 4.18Å; F647-L677 HydrophobicContact CE2-CD2 3.65Å; F647-L677 HydrophobicContact CE2-CG 4.48Å; F647-L677 HydrophobicContact CZ-CB 4.45Å; F647-L677 HydrophobicContact CZ-CD2 4.11Å; F647-Y680 HydrophobicContact CB-CE1 4.03Å; F647-Y680 AromaticContact CD2-CD1 3.7Å; F647-Y680 HydrophobicContact CD2-CD1 3.7Å; F647-Y680 HydrophobicContact CD2-CE1 4.06Å; F647-Y680 HydrophobicContact CD2-CG 4.46Å; F647-C681 WeakPolarHBondContact CE2-SG 3.33Å; F647-C681 VanDerWaalsContact CZ-SG 3.52Å; F647-V686 HydrophobicContact CB-CG1 4.19Å; F647-V686 HydrophobicContact CB-CG2 3.99Å; F647-V686 HydrophobicContact CD1-CG1 4Å; F647-V686 HydrophobicContact CG-CG1 4.05Å; F647-V686 HydrophobicContact CG-CG2 4.29Å; F647-R691 HydrophobicContact CE1-CB 3.87Å; F647-R691 HydrophobicContact CE1-CG 3.76Å; F647-R691 HydrophobicContact CZ-CB 4.42Å; F647-R691 HydrophobicContact CZ-CG 3.94Å
648	R	93	Very high	89.4	Confident	107 Å²	107	43.9 Å²	43.9	40%	0.404	21%	0.208	S	C	.	.	H	α-helix	trans	-59.6	-44.5	176.4	-176.7	-179.9	174.9	-170.3	-2.5	111.2	A644 F645 L646 Q651 R652 C694 E698	A644-R648 PolarHBondContact O-N 3.4Å; F645-R648 PolarHBondContact O-N 3Å; F645-R648 VanDerWaalsContact O-N 3.15Å; L646-R648 VanDerWaalsContact C-N 3.35Å; L646-R648 PolarHBondContact O-N 2.9Å; R648-Q651 PolarHBondContact O-N 3.38Å; R648-R652 WeakPolarHBondContact O-CB 3.17Å; R648-R652 PolarHBondContact O-N 2.94Å; R648-C694 HydrophobicContact CG-CB 4.31Å; R648-E698 IonicContact CZ-OE1 3.84Å; R648-E698 IonicContact NE-OE1 3.94Å; R648-E698 PolarHBondContact NE-OE1 3.07Å; R648-E698 IonicContact NH2-OE1 3.12Å; R648-E698 PolarHBondContact NH2-OE1 3.27Å
649	I	92.3	Very high	89.6	Confident	22 Å²	22	44.5 Å²	44.5	11%	0.113	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-47.9	177.2	-62.7	173.8	0	0	0	110.7	I83 L87 F645 L646 F647 Q651 R652 Q653	I83-I649 HydrophobicContact CG2-CD1 3.92Å; L87-I649 HydrophobicContact CD1-CB 4.16Å; L87-I649 HydrophobicContact CD1-CG2 3.95Å; F645-I649 HydrophobicContact CD1-CD1 4.28Å; F645-I649 HydrophobicContact CE1-CD1 3.62Å; F645-I649 HydrophobicContact CE2-CD1 4.37Å; F645-I649 HydrophobicContact CZ-CD1 3.68Å; F645-I649 PolarHBondContact O-N 2.86Å; L646-I649 PolarHBondContact O-N 3.48Å; F647-I649 VanDerWaalsContact C-N 3.33Å; F647-I649 PolarHBondContact O-N 3.4Å; I649-Q651 PolarHBondContact O-N 3.03Å; I649-R652 PolarHBondContact O-N 3.35Å; I649-Q653 WeakPolarHBondContact O-CB 3.26Å; I649-Q653 PolarHBondContact O-N 3.33Å
650	L	93.9	Very high	89.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-45.3	177.6	177.7	62.6	0	0	0	111.8	L87 V91 F243 L247 L646 F647 T654 L677 Y680	L87-L650 HydrophobicContact CD1-CB 4.36Å; L87-L650 HydrophobicContact CD2-CB 4Å; L87-L650 HydrophobicContact CD2-CD2 4.39Å; V91-L650 HydrophobicContact CG2-CD1 3.88Å; V91-L650 HydrophobicContact CG2-CD2 3.86Å; F243-L650 HydrophobicContact CD1-CD1 4.23Å; F243-L650 HydrophobicContact CE1-CD1 4.07Å; L247-L650 HydrophobicContact CD1-CD1 4.39Å; L247-L650 HydrophobicContact CD2-CD1 3.99Å; L247-L650 HydrophobicContact CG-CD1 4.5Å; L646-L650 PolarHBondContact O-N 2.65Å; L646-L650 VanDerWaalsContact O-N 3.11Å; F647-L650 PolarHBondContact O-N 2.71Å; L650-T654 VanDerWaalsContact O-CB 3.24Å; L650-T654 WeakPolarHBondContact O-CB 3.45Å; L650-T654 PolarHBondContact O-N 2.9Å; L650-T654 PolarHBondContact O-OG1 2.9Å; L650-L677 HydrophobicContact CD2-CD2 4.04Å; L650-L677 HydrophobicContact CG-CD2 3.95Å; L650-Y680 HydrophobicContact CD2-CD2 3.86Å; L650-Y680 HydrophobicContact CD2-CE2 4.07Å; L650-Y680 HydrophobicContact CD2-CG 4.19Å
651	Q	94	Very high	89.7	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-44.5	179.8	-175.2	177	34.9	0	0	111.7	F647 R648 I649 T654 L655 F669 R691	F647-Q651 HydrophobicContact CD1-CB 4.37Å; F647-Q651 HydrophobicContact CE1-CB 3.94Å; F647-Q651 HydrophobicContact CE1-CG 4.22Å; F647-Q651 HydrophobicContact CZ-CB 4.2Å; F647-Q651 HydrophobicContact CZ-CG 4.44Å; F647-Q651 VanDerWaalsContact O-CB 3.26Å; F647-Q651 WeakPolarHBondContact O-CB 3.26Å; F647-Q651 PolarHBondContact O-N 3.03Å; R648-Q651 PolarHBondContact O-N 3.38Å; I649-Q651 PolarHBondContact O-N 3.03Å; Q651-T654 PolarHBondContact O-N 2.94Å; Q651-L655 WeakPolarHBondContact O-CB 3.33Å; Q651-L655 PolarHBondContact O-N 3.17Å; Q651-F669 HydrophobicContact CG-CZ 4.05Å; Q651-R691 PolarHBondContact NE2-O 2.7Å; Q651-R691 PolarHBondContact OE1-O 3.44Å
652	R	93.1	Very high	89.1	Confident	96 Å²	96	43 Å²	43	36%	0.362	21%	0.214	S	C	.	.	H	α-helix	trans	-60.9	-56.5	175.5	-171.3	179.5	74.2	-173.1	0.1	111	R648 I649 T654 L655 D656 E698	R648-R652 WeakPolarHBondContact O-CB 3.17Å; R648-R652 PolarHBondContact O-N 2.94Å; I649-R652 PolarHBondContact O-N 3.35Å; R652-T654 PolarHBondContact O-N 3.27Å; R652-T654 VanDerWaalsContact O-N 3.13Å; R652-L655 CarbonylContact O-C 3.59Å; R652-L655 WeakPolarHBondContact O-CA 3.49Å; R652-L655 WeakPolarHBondContact O-CB 3.25Å; R652-L655 PolarHBondContact O-N 2.7Å; R652-D656 PolarHBondContact O-N 3.25Å; R652-D656 VanDerWaalsContact O-OD1 3.12Å; R652-E698 HydrophobicContact CB-CG 4.35Å; R652-E698 WeakPolarHBondContact CD-OE2 3.21Å; R652-E698 HydrophobicContact CG-CG 4.4Å; R652-E698 VanDerWaalsContact CG-OE2 3.28Å; R652-E698 WeakPolarHBondContact CG-OE2 3.49Å
653	Q	92.3	Very high	88.6	Confident	17 Å²	17	42.1 Å²	42.1	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-33.8	179.7	-72.1	175.2	-23.1	0	0	112.5	E80 I246 L247 I649 D656 H657	E80-Q653 PolarHBondContact OE1-NE2 2.83Å; I246-Q653 HydrophobicContact CG2-CB 4.01Å; L247-Q653 HydrophobicContact CD2-CB 4.45Å; I649-Q653 WeakPolarHBondContact O-CB 3.26Å; I649-Q653 PolarHBondContact O-N 3.33Å; Q653-D656 WeakPolarHBondContact CA-OD2 3.4Å; Q653-H657 WeakPolarHBondContact O-CB 3.49Å; Q653-H657 PolarHBondContact O-N 3.37Å; Q653-H657 VanDerWaalsContact O-N 3.08Å
654	T	92.7	Very high	87.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.8	-34	173.6	-56.2	0	0	0	0	112.4	F243 I246 L650 Q651 R652 R658 F669 Q673 L677	F243-T654 HydrophobicContact CE1-CG2 4.45Å; I246-T654 HydrophobicContact CD1-CG2 4.22Å; L650-T654 VanDerWaalsContact O-CB 3.24Å; L650-T654 WeakPolarHBondContact O-CB 3.45Å; L650-T654 PolarHBondContact O-N 2.9Å; L650-T654 PolarHBondContact O-OG1 2.9Å; Q651-T654 PolarHBondContact O-N 2.94Å; R652-T654 PolarHBondContact O-N 3.27Å; R652-T654 VanDerWaalsContact O-N 3.13Å; T654-R658 VanDerWaalsContact O-CB 3.28Å; T654-R658 WeakPolarHBondContact O-CB 3.37Å; T654-R658 PolarHBondContact O-N 3.34Å; T654-R658 VanDerWaalsContact O-N 3.15Å; T654-F669 HydrophobicContact CG2-CD1 3.81Å; T654-F669 HydrophobicContact CG2-CE1 3.75Å; T654-Q673 HydrophobicContact CG2-CB 3.94Å; T654-Q673 HydrophobicContact CG2-CG 3.7Å; T654-Q673 VanDerWaalsContact CG2-NE2 3.34Å; T654-Q673 PolarHBondContact O-NE2 3.08Å; T654-L677 HydrophobicContact CG2-CD1 4.18Å
655	L	91.3	Very high	87.3	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-76.9	-43.5	176.1	178.7	61.1	0	0	0	111.6	Q651 R652 H657 R658 L659 F669 Y695 E698 L699	Q651-L655 WeakPolarHBondContact O-CB 3.33Å; Q651-L655 PolarHBondContact O-N 3.17Å; R652-L655 CarbonylContact O-C 3.59Å; R652-L655 WeakPolarHBondContact O-CA 3.49Å; R652-L655 WeakPolarHBondContact O-CB 3.25Å; R652-L655 PolarHBondContact O-N 2.7Å; L655-H657 VanDerWaalsContact C-N 3.33Å; L655-H657 PolarHBondContact O-N 3.01Å; L655-R658 CarbonylContact O-C 3.36Å; L655-R658 WeakPolarHBondContact O-CA 3.31Å; L655-R658 WeakPolarHBondContact O-CB 3.4Å; L655-R658 PolarHBondContact O-N 3.31Å; L655-L659 HydrophobicContact CD1-CD1 3.99Å; L655-L659 HydrophobicContact CD1-CG 4.02Å; L655-L659 HydrophobicContact CG-CD1 3.97Å; L655-L659 HydrophobicContact CG-CG 4.43Å; L655-L659 PolarHBondContact O-N 3.18Å; L655-F669 HydrophobicContact CB-CE1 3.93Å; L655-F669 HydrophobicContact CB-CZ 4.23Å; L655-F669 HydrophobicContact CD1-CE1 4.47Å; L655-Y695 HydrophobicContact CD1-CE2 4.44Å; L655-Y695 HydrophobicContact CD2-CE2 4.48Å; L655-E698 HydrophobicContact CD2-CB 4.03Å; L655-L699 HydrophobicContact CD1-CD2 4.01Å; L655-L699 HydrophobicContact CD2-CD2 3.9Å; L655-L699 HydrophobicContact CD2-CG 4.23Å
656	D	90.6	Very high	86.8	Confident	46 Å²	46	37.3 Å²	37.3	25%	0.246	18%	0.181	C	C	.	.	H	α-helix	trans	-55.7	-49.7	175.7	-52.6	-22.1	0	0	0	109.9	R652 Q653 R658 N660 H702	R652-D656 PolarHBondContact O-N 3.25Å; R652-D656 VanDerWaalsContact O-OD1 3.12Å; Q653-D656 WeakPolarHBondContact CA-OD2 3.4Å; D656-R658 VanDerWaalsContact C-N 3.26Å; D656-R658 PolarHBondContact O-N 3.09Å; D656-N660 PolarHBondContact O-N 2.89Å; D656-N660 PolarHBondContact O-ND2 3.48Å; D656-H702 IonicContact OD1-CE1 2.79Å; D656-H702 PolarHBondContact OD1-CE1 3.46Å; D656-H702 IonicContact OD1-NE2 2.69Å
657	H	88.9	Confident	86.5	Confident	56 Å²	56	36.6 Å²	36.6	26%	0.259	18%	0.178	S	C	.	.	H	α-helix	trans	-61.9	-33	172.8	-177.4	-66.2	0	0	0	112.2	I246 Q653 L655 D661	I246-H657 HydrophobicContact CG1-CB 3.77Å; I246-H657 VanDerWaalsContact CG1-CD2 3.47Å; I246-H657 WeakPolarHBondContact CG1-CD2 3.48Å; Q653-H657 WeakPolarHBondContact O-CB 3.49Å; Q653-H657 PolarHBondContact O-N 3.37Å; Q653-H657 VanDerWaalsContact O-N 3.08Å; L655-H657 VanDerWaalsContact C-N 3.33Å; L655-H657 PolarHBondContact O-N 3.01Å; H657-D661 PolarHBondContact O-N 3.48Å
658	R	85.9	Confident	86.1	Confident	22 Å²	22	40.4 Å²	40.4	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-74.5	-38	-177.8	-169.6	55.6	179.2	157.8	18.3	113	R110 T654 L655 D656 N660 D661 C665 W668 Q673	R110-R658 VanDerWaalsContact NH1-NH2 3.14Å; T654-R658 VanDerWaalsContact O-CB 3.28Å; T654-R658 WeakPolarHBondContact O-CB 3.37Å; T654-R658 PolarHBondContact O-N 3.34Å; T654-R658 VanDerWaalsContact O-N 3.15Å; L655-R658 CarbonylContact O-C 3.36Å; L655-R658 WeakPolarHBondContact O-CA 3.31Å; L655-R658 WeakPolarHBondContact O-CB 3.4Å; L655-R658 PolarHBondContact O-N 3.31Å; D656-R658 VanDerWaalsContact C-N 3.26Å; D656-R658 PolarHBondContact O-N 3.09Å; R658-N660 VanDerWaalsContact C-N 3.34Å; R658-D661 IonicContact CZ-OD2 3.2Å; R658-D661 IonicContact NH1-OD2 2.79Å; R658-D661 PolarHBondContact NH1-OD2 3.24Å; R658-D661 IonicContact NH2-OD2 2.83Å; R658-D661 VanDerWaalsContact O-CB 3.3Å; R658-D661 WeakPolarHBondContact O-CB 3.32Å; R658-D661 PolarHBondContact O-N 2.88Å; R658-C665 HydrophobicContact CG-CB 4.03Å; R658-C665 PolarHBondContact O-SG 2.62Å; R658-W668 WeakPolarHBondContact CG-O 3.24Å; R658-W668 PolarHBondContact NE-O 3.19Å; R658-W668 VanDerWaalsContact NE-O 3.16Å; R658-Q673 VanDerWaalsContact CD-OE1 3.32Å
659	L	84.7	Confident	85.9	Confident	25 Å²	25	35.7 Å²	35.7	13%	0.131	18%	0.175	C	C	.	.	H	α-helix	trans	-73.7	-27.1	178.3	-67.8	169.1	0	0	0	112.4	K113 L655 D661 H702 I709	K113-L659 PolarHBondContact NZ-O 3.19Å; L655-L659 HydrophobicContact CD1-CD1 3.99Å; L655-L659 HydrophobicContact CD1-CG 4.02Å; L655-L659 HydrophobicContact CG-CD1 3.97Å; L655-L659 HydrophobicContact CG-CG 4.43Å; L655-L659 PolarHBondContact O-N 3.18Å; L659-D661 VanDerWaalsContact C-N 3.34Å; L659-H702 HydrophobicContact CD1-CB 3.99Å; L659-H702 WeakPolarHBondContact CD1-CD2 3.19Å; L659-I709 HydrophobicContact CD1-CD1 4.48Å; L659-I709 HydrophobicContact CD2-CD1 3.9Å
660	N	84.3	Confident	85.5	Confident	131 Å²	131	35.2 Å²	35.2	70%	0.701	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.4	174.3	-72.8	-67.7	0	0	0	114.4	D656 R658	D656-N660 PolarHBondContact O-N 2.89Å; D656-N660 PolarHBondContact O-ND2 3.48Å; R658-N660 VanDerWaalsContact C-N 3.34Å
661	D	79.8	Confident	85.1	Confident	38 Å²	38	35.9 Å²	35.9	20%	0.203	18%	0.178	C	C	.	.	S	Bend	trans	-64.6	159.7	175.4	-169.1	15	0	0	0	112.4	K113 H657 R658 L659 Y663	K113-D661 PolarHBondContact NZ-O 3.05Å; H657-D661 PolarHBondContact O-N 3.48Å; R658-D661 IonicContact CZ-OD2 3.2Å; R658-D661 IonicContact NH1-OD2 2.79Å; R658-D661 PolarHBondContact NH1-OD2 3.24Å; R658-D661 IonicContact NH2-OD2 2.83Å; R658-D661 VanDerWaalsContact O-CB 3.3Å; R658-D661 WeakPolarHBondContact O-CB 3.32Å; R658-D661 PolarHBondContact O-N 2.88Å; L659-D661 VanDerWaalsContact C-N 3.34Å; D661-Y663 PolarHBondContact O-N 3.47Å
662	S	72.2	Confident	84.7	Confident	67 Å²	67	35.8 Å²	35.8	47%	0.469	18%	0.177	S	C	.	.	S	Bend	trans	-78	-5.6	176.7	-63.2	0	0	0	0	113.6	Q112 K113	Q112-S662 WeakPolarHBondContact CG-O 3.17Å; K113-S662 WeakPolarHBondContact CB-O 3.49Å; K113-S662 PolarHBondContact N-O 3.04Å
663	Y	75.7	Confident	84.6	Confident	80 Å²	80	31.2 Å²	31.2	31%	0.314	16%	0.16	S	C	.	.	B	Isolated β-bridge	trans	-107.1	140.5	176.3	-67	-69.2	0	0	0	111.1	E231 D661 C665	E231-Y663 PolarHBondContact OE1-OH 3.36Å; D661-Y663 PolarHBondContact O-N 3.47Å; Y663-C665 PolarHBondContact O-N 2.91Å
664	S	76.1	Confident	84.5	Confident	19 Å²	19	31.7 Å²	31.7	13%	0.133	16%	0.164	C	C	.	.			trans	-64.9	122.7	173.3	-175.5	0	0	0	0	109.5	Q111	Q111-S664 PolarHBondContact O-N 3.33Å
665	C	75.1	Confident	84.4	Confident	10 Å²	10	32.3 Å²	32.3	7%	0.068	17%	0.166	C	C	.	.			trans	-120.8	-24.7	-174.4	66.9	0	0	0	0	113.6	R658 Y663 G667 W668	R658-C665 HydrophobicContact CG-CB 4.03Å; R658-C665 PolarHBondContact O-SG 2.62Å; Y663-C665 PolarHBondContact O-N 2.91Å; C665-G667 PolarHBondContact O-N 2.93Å; C665-G667 VanDerWaalsContact O-N 3.1Å; C665-W668 WeakPolarHBondContact O-CB 3.45Å; C665-W668 PolarHBondContact O-N 3.01Å
666	L	81.6	Confident	84.4	Confident	31 Å²	31	32.3 Å²	32.3	16%	0.162	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	34.2	-179.4	-48.7	-177.9	0	0	0	113.7	V708 D710 P771	L666-V708 HydrophobicContact CD2-CG1 4.08Å; L666-D710 HydrophobicContact CB-CB 3.82Å; L666-D710 HydrophobicContact CD1-CB 4.46Å; L666-D710 PolarHBondContact O-N 3.2Å; L666-P771 HydrophobicContact CD1-CB 4.07Å; L666-P771 HydrophobicContact CD1-CG 3.91Å; L666-P771 HydrophobicContact CD2-CG 4.31Å
667	G	84.4	Confident	84.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-22.5	-174.6	0	0	0	0	0	115.5	C665 F669 Y695 L713	C665-G667 PolarHBondContact O-N 2.93Å; C665-G667 VanDerWaalsContact O-N 3.1Å; G667-F669 PolarHBondContact O-N 3.21Å; G667-Y695 PolarHBondContact O-OH 3.41Å; G667-Y695 VanDerWaalsContact O-OH 3.09Å; G667-L713 VanDerWaalsContact C-CD2 3.45Å
668	W	86.8	Confident	84.7	Confident	79 Å²	79	29.6 Å²	29.6	30%	0.299	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-66	121	-176.2	-66.7	93.2	0	0	0	112.8	M107 R110 R658 C665 D710 L713	M107-W668 HydrophobicContact CE-CE3 4.3Å; R110-W668 PolarHBondContact NH1-O 3.32Å; R658-W668 WeakPolarHBondContact CG-O 3.24Å; R658-W668 PolarHBondContact NE-O 3.19Å; R658-W668 VanDerWaalsContact NE-O 3.16Å; C665-W668 WeakPolarHBondContact O-CB 3.45Å; C665-W668 PolarHBondContact O-N 3.01Å; W668-D710 PolarHBondContact NE1-OD2 2.89Å; W668-L713 HydrophobicContact CD2-CB 4.39Å; W668-L713 HydrophobicContact CD2-CD1 3.89Å; W668-L713 HydrophobicContact CD2-CD2 4.29Å; W668-L713 HydrophobicContact CD2-CG 4.43Å; W668-L713 HydrophobicContact CE3-CD1 3.75Å; W668-L713 HydrophobicContact CG-CD2 4.18Å; W668-L713 HydrophobicContact CH2-CB 4.49Å; W668-L713 HydrophobicContact CH2-CD1 4.01Å; W668-L713 HydrophobicContact CZ2-CB 3.89Å; W668-L713 HydrophobicContact CZ2-CD1 4.15Å; W668-L713 HydrophobicContact CZ3-CD1 3.81Å
669	F	88.1	Confident	85	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.035	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-55	153.6	166	-63.8	-54.3	0	0	0	113	R110 Q651 T654 L655 G667 Q673 V674 L677 Y695	R110-F669 PolarHBondContact NH2-O 3.37Å; Q651-F669 HydrophobicContact CG-CZ 4.05Å; T654-F669 HydrophobicContact CG2-CD1 3.81Å; T654-F669 HydrophobicContact CG2-CE1 3.75Å; L655-F669 HydrophobicContact CB-CE1 3.93Å; L655-F669 HydrophobicContact CB-CZ 4.23Å; L655-F669 HydrophobicContact CD1-CE1 4.47Å; G667-F669 PolarHBondContact O-N 3.21Å; F669-Q673 HydrophobicContact CB-CB 3.99Å; F669-Q673 HydrophobicContact CD1-CB 4.43Å; F669-Q673 HydrophobicContact CG-CB 4.49Å; F669-V674 HydrophobicContact CB-CG2 3.7Å; F669-L677 HydrophobicContact CD1-CD1 4.4Å; F669-L677 HydrophobicContact CD2-CD1 4.04Å; F669-L677 HydrophobicContact CE1-CD1 4.29Å; F669-L677 HydrophobicContact CE2-CD1 3.92Å; F669-L677 HydrophobicContact CG-CD1 4.29Å; F669-L677 HydrophobicContact CZ-CD1 4.06Å; F669-Y695 HydrophobicContact CD2-CE1 4.4Å; F669-Y695 HydrophobicContact CD2-CE2 4.08Å; F669-Y695 AromaticContact CD2-CZ 3.72Å; F669-Y695 WeakPolarHBondContact CD2-OH 3.45Å; F669-Y695 HydrophobicContact CE1-CE2 4.46Å; F669-Y695 AromaticContact CE2-CD2 3.93Å; F669-Y695 HydrophobicContact CE2-CD2 3.93Å; F669-Y695 HydrophobicContact CE2-CE1 4.05Å; F669-Y695 AromaticContact CE2-CE2 3.28Å; F669-Y695 HydrophobicContact CE2-CE2 3.28Å; F669-Y695 AromaticContact CE2-CZ 3.34Å; F669-Y695 WeakPolarHBondContact CE2-OH 3.49Å; F669-Y695 HydrophobicContact CZ-CD2 4.09Å; F669-Y695 AromaticContact CZ-CE2 3.51Å; F669-Y695 HydrophobicContact CZ-CE2 3.51Å
670	S	84.3	Confident	85.4	Confident	12 Å²	12	27.4 Å²	27.4	8%	0.084	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-77.4	161.7	172.7	77	0	0	0	0	112.3	G672 Q673 V674	S670-G672 PolarHBondContact O-N 2.8Å; S670-Q673 PolarHBondContact O-N 2.83Å; S670-Q673 WeakPolarHBondContact OG-CG 3.1Å; S670-Q673 PolarHBondContact OG-N 3.2Å; S670-V674 WeakPolarHBondContact O-CG2 3.33Å; S670-V674 PolarHBondContact O-N 2.87Å
671	P	84.3	Confident	85.8	Confident	14 Å²	14	21.7 Å²	21.7	9%	0.091	11%	0.114	C	C	.	.	H	α-helix	trans	-51.9	-41.2	176.5	-29.1	35.7	0	0	0	113.9	P104 M107 F675	P104-P671 HydrophobicContact CG-CB 4.05Å; M107-P671 HydrophobicContact CB-CG 4.08Å; M107-P671 HydrophobicContact CG-CG 4.14Å; M107-P671 HydrophobicContact SD-CB 4.39Å; M107-P671 HydrophobicContact SD-CG 3.83Å; P671-F675 VanDerWaalsContact O-CB 3.25Å; P671-F675 WeakPolarHBondContact O-CB 3.46Å; P671-F675 PolarHBondContact O-N 3.32Å
672	G	86.4	Confident	86.2	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-70.3	-35.8	176.9	0	0	0	0	0	114	S670 V676	S670-G672 PolarHBondContact O-N 2.8Å; G672-V676 WeakPolarHBondContact O-CG2 3.43Å; G672-V676 PolarHBondContact O-N 3.28Å
673	Q	90.2	Very high	87.1	Confident	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-67.3	-47.2	173.2	-73.5	176.8	-36.3	0	0	111.1	M242 T654 R658 F669 S670 F675 V676 L677	M242-Q673 HydrophobicContact CE-CG 3.63Å; M242-Q673 HydrophobicContact SD-CG 3.87Å; T654-Q673 HydrophobicContact CG2-CB 3.94Å; T654-Q673 HydrophobicContact CG2-CG 3.7Å; T654-Q673 VanDerWaalsContact CG2-NE2 3.34Å; T654-Q673 PolarHBondContact O-NE2 3.08Å; R658-Q673 VanDerWaalsContact CD-OE1 3.32Å; F669-Q673 HydrophobicContact CB-CB 3.99Å; F669-Q673 HydrophobicContact CD1-CB 4.43Å; F669-Q673 HydrophobicContact CG-CB 4.49Å; S670-Q673 PolarHBondContact O-N 2.83Å; S670-Q673 WeakPolarHBondContact OG-CG 3.1Å; S670-Q673 PolarHBondContact OG-N 3.2Å; Q673-F675 PolarHBondContact O-N 2.7Å; Q673-V676 PolarHBondContact O-N 3.21Å; Q673-L677 WeakPolarHBondContact O-CB 3.39Å; Q673-L677 VanDerWaalsContact O-CG 3.27Å; Q673-L677 WeakPolarHBondContact O-CG 3.44Å; Q673-L677 PolarHBondContact O-N 3.41Å
674	V	90.2	Very high	87.8	Confident	26 Å²	26	14.8 Å²	14.8	16%	0.158	8%	0.08	C	C	.	.	H	α-helix	trans	-55.9	-51.8	176.1	173	0	0	0	0	110.1	P104 M107 F669 S670 V676 L677 D678	P104-V674 HydrophobicContact CG-CG1 4.43Å; M107-V674 HydrophobicContact SD-CG2 4.45Å; F669-V674 HydrophobicContact CB-CG2 3.7Å; S670-V674 WeakPolarHBondContact O-CG2 3.33Å; S670-V674 PolarHBondContact O-N 2.87Å; V674-V676 PolarHBondContact O-N 3.05Å; V674-L677 PolarHBondContact O-N 3.31Å; V674-D678 WeakPolarHBondContact CG1-OD2 3.37Å; V674-D678 WeakPolarHBondContact O-CB 3.36Å; V674-D678 PolarHBondContact O-N 2.97Å
675	F	91.5	Very high	88.3	Confident	13 Å²	13	15.4 Å²	15.4	6%	0.057	9%	0.089	C	C	.	.	H	α-helix	trans	-53.4	-46.9	178.6	161.7	-109.9	0	0	0	113.9	P98 A101 Q103 L239 P671 Q673 E679	P98-F675 HydrophobicContact CB-CE2 3.96Å; P98-F675 HydrophobicContact CB-CZ 3.65Å; P98-F675 HydrophobicContact CG-CE2 4.49Å; P98-F675 HydrophobicContact CG-CZ 3.89Å; A101-F675 HydrophobicContact CB-CD2 3.75Å; A101-F675 HydrophobicContact CB-CE2 4.09Å; Q103-F675 HydrophobicContact CB-CB 4.49Å; Q103-F675 HydrophobicContact CG-CB 3.66Å; Q103-F675 HydrophobicContact CG-CD1 3.81Å; Q103-F675 HydrophobicContact CG-CD2 4.25Å; Q103-F675 HydrophobicContact CG-CG 3.63Å; L239-F675 HydrophobicContact CD1-CD1 3.9Å; L239-F675 HydrophobicContact CD1-CE1 3.71Å; P671-F675 VanDerWaalsContact O-CB 3.25Å; P671-F675 WeakPolarHBondContact O-CB 3.46Å; P671-F675 PolarHBondContact O-N 3.32Å; Q673-F675 PolarHBondContact O-N 2.7Å; F675-E679 WeakPolarHBondContact O-CB 3.45Å; F675-E679 PolarHBondContact O-N 3.09Å
676	V	92.1	Very high	88.9	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-72.4	-37.6	-179.9	173	0	0	0	0	112	V91 I95 L239 F243 G672 Q673 V674 Y680	V91-V676 HydrophobicContact CG1-CG1 3.94Å; I95-V676 HydrophobicContact CD1-CG2 4.31Å; I95-V676 HydrophobicContact CG1-CG2 3.75Å; L239-V676 HydrophobicContact CD2-CG2 4.34Å; F243-V676 HydrophobicContact CD2-CB 4.32Å; F243-V676 HydrophobicContact CD2-CG1 4.1Å; F243-V676 HydrophobicContact CD2-CG2 4.17Å; F243-V676 HydrophobicContact CE1-CG1 4.19Å; F243-V676 HydrophobicContact CE2-CB 3.46Å; F243-V676 VanDerWaalsContact CE2-CB 3.46Å; F243-V676 HydrophobicContact CE2-CG1 3.57Å; F243-V676 HydrophobicContact CE2-CG2 3.6Å; F243-V676 HydrophobicContact CZ-CB 3.69Å; F243-V676 HydrophobicContact CZ-CG1 3.62Å; F243-V676 HydrophobicContact CZ-CG2 4.35Å; G672-V676 WeakPolarHBondContact O-CG2 3.43Å; G672-V676 PolarHBondContact O-N 3.28Å; Q673-V676 PolarHBondContact O-N 3.21Å; V674-V676 PolarHBondContact O-N 3.05Å; V676-Y680 WeakPolarHBondContact O-CB 3.47Å; V676-Y680 PolarHBondContact O-N 3.04Å
677	L	93.1	Very high	89.2	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.2	-38.8	175.5	-67.7	172.6	0	0	0	111.7	F647 L650 T654 F669 Q673 V674 C681	F647-L677 HydrophobicContact CE2-CB 4.18Å; F647-L677 HydrophobicContact CE2-CD2 3.65Å; F647-L677 HydrophobicContact CE2-CG 4.48Å; F647-L677 HydrophobicContact CZ-CB 4.45Å; F647-L677 HydrophobicContact CZ-CD2 4.11Å; L650-L677 HydrophobicContact CD2-CD2 4.04Å; L650-L677 HydrophobicContact CG-CD2 3.95Å; T654-L677 HydrophobicContact CG2-CD1 4.18Å; F669-L677 HydrophobicContact CD1-CD1 4.4Å; F669-L677 HydrophobicContact CD2-CD1 4.04Å; F669-L677 HydrophobicContact CE1-CD1 4.29Å; F669-L677 HydrophobicContact CE2-CD1 3.92Å; F669-L677 HydrophobicContact CG-CD1 4.29Å; F669-L677 HydrophobicContact CZ-CD1 4.06Å; Q673-L677 WeakPolarHBondContact O-CB 3.39Å; Q673-L677 VanDerWaalsContact O-CG 3.27Å; Q673-L677 WeakPolarHBondContact O-CG 3.44Å; Q673-L677 PolarHBondContact O-N 3.41Å; V674-L677 PolarHBondContact O-N 3.31Å; L677-C681 WeakPolarHBondContact O-CB 3.48Å; L677-C681 PolarHBondContact O-N 3.32Å; L677-C681 PolarHBondContact O-SG 3.29Å
678	D	92.2	Very high	89.3	Confident	46 Å²	46	17.5 Å²	17.5	25%	0.246	11%	0.105	C	C	.	.	H	α-helix	trans	-64	-49.3	175	-70.9	-10.3	0	0	0	111.2	A101 V674 Y680 C681 A682 R691	A101-D678 HydrophobicContact CB-CB 3.92Å; V674-D678 WeakPolarHBondContact CG1-OD2 3.37Å; V674-D678 WeakPolarHBondContact O-CB 3.36Å; V674-D678 PolarHBondContact O-N 2.97Å; D678-Y680 VanDerWaalsContact C-N 3.33Å; D678-Y680 PolarHBondContact O-N 2.83Å; D678-C681 PolarHBondContact O-N 2.87Å; D678-A682 VanDerWaalsContact O-CB 3.29Å; D678-A682 WeakPolarHBondContact O-CB 3.43Å; D678-A682 PolarHBondContact O-N 3.17Å; D678-R691 IonicContact OD1-CZ 2.66Å; D678-R691 IonicContact OD1-NH1 2.57Å; D678-R691 PolarHBondContact OD1-NH1 3.45Å; D678-R691 IonicContact OD1-NH2 2.62Å; D678-R691 PolarHBondContact OD1-NH2 2.98Å
679	E	91.7	Very high	89.4	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.6	-39.4	178.4	-169.6	69.3	-177	0	0	111.4	C94 P98 F99 N100 A101 F675 R683	C94-E679 HydrophobicContact CB-CB 4.18Å; C94-E679 HydrophobicContact CB-CG 3.83Å; P98-E679 VanDerWaalsContact CA-OE1 3.27Å; P98-E679 WeakPolarHBondContact CA-OE1 3.42Å; P98-E679 HydrophobicContact CB-CG 4.35Å; F99-E679 WeakPolarHBondContact CD1-OE1 3.48Å; F99-E679 PolarHBondContact N-OE1 2.78Å; N100-E679 WeakPolarHBondContact CB-OE2 3.22Å; N100-E679 PolarHBondContact N-OE1 3.3Å; N100-E679 PolarHBondContact N-OE2 3.29Å; A101-E679 HydrophobicContact CB-CB 4.14Å; A101-E679 WeakPolarHBondContact CB-OE2 3.28Å; A101-E679 PolarHBondContact N-OE2 3.27Å; F675-E679 WeakPolarHBondContact O-CB 3.45Å; F675-E679 PolarHBondContact O-N 3.09Å; E679-R683 WeakPolarHBondContact O-CB 3.48Å; E679-R683 PolarHBondContact O-N 2.92Å
680	Y	93.7	Very high	89.5	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.7	-50.3	173.7	-173.4	-72.8	0	0	0	111.4	L87 F90 V91 H643 F647 L650 V676 D678 A682 R683 Y684 V686	L87-Y680 HydrophobicContact CD2-CE2 4.21Å; F90-Y680 HydrophobicContact CB-CD2 4.28Å; F90-Y680 HydrophobicContact CB-CE2 3.71Å; V91-Y680 HydrophobicContact CG2-CD2 4.5Å; H643-Y680 AromaticContact ND1-CE1 3.95Å; H643-Y680 AromaticContact ND1-CZ 3.61Å; H643-Y680 PolarHBondContact ND1-OH 2.98Å; F647-Y680 HydrophobicContact CB-CE1 4.03Å; F647-Y680 AromaticContact CD2-CD1 3.7Å; F647-Y680 HydrophobicContact CD2-CD1 3.7Å; F647-Y680 HydrophobicContact CD2-CE1 4.06Å; F647-Y680 HydrophobicContact CD2-CG 4.46Å; L650-Y680 HydrophobicContact CD2-CD2 3.86Å; L650-Y680 HydrophobicContact CD2-CE2 4.07Å; L650-Y680 HydrophobicContact CD2-CG 4.19Å; V676-Y680 WeakPolarHBondContact O-CB 3.47Å; V676-Y680 PolarHBondContact O-N 3.04Å; D678-Y680 VanDerWaalsContact C-N 3.33Å; D678-Y680 PolarHBondContact O-N 2.83Å; Y680-A682 VanDerWaalsContact C-N 3.34Å; Y680-A682 PolarHBondContact O-N 3.45Å; Y680-R683 PolarHBondContact O-N 2.92Å; Y680-Y684 HydrophobicContact CD1-CD2 4.08Å; Y680-Y684 AromaticContact CD2-CD2 3.86Å; Y680-Y684 HydrophobicContact CD2-CD2 3.86Å; Y680-Y684 HydrophobicContact CD2-CE2 4.13Å; Y680-Y684 HydrophobicContact CE1-CD2 4.16Å; Y680-Y684 AromaticContact CE2-CD2 3.98Å; Y680-Y684 HydrophobicContact CE2-CD2 3.98Å; Y680-Y684 HydrophobicContact CE2-CE2 4.31Å; Y680-Y684 AromaticContact CG-CD2 3.91Å; Y680-Y684 HydrophobicContact CG-CD2 3.91Å; Y680-Y684 WeakPolarHBondContact O-CB 3.09Å; Y680-Y684 WeakPolarHBondContact O-CD2 3.17Å; Y680-Y684 PolarHBondContact O-N 2.97Å; Y680-V686 HydrophobicContact CD1-CG2 4.24Å; Y680-V686 HydrophobicContact CE1-CG2 4.09Å
681	C	92.1	Very high	89.9	Confident	12 Å²	12	16 Å²	16	8%	0.081	10%	0.098	C	C	.	.	H	α-helix	trans	-59.1	-46.8	-179.8	-71.7	0	0	0	0	111.3	F647 L677 D678 G685 V686	F647-C681 WeakPolarHBondContact CE2-SG 3.33Å; F647-C681 VanDerWaalsContact CZ-SG 3.52Å; L677-C681 WeakPolarHBondContact O-CB 3.48Å; L677-C681 PolarHBondContact O-N 3.32Å; L677-C681 PolarHBondContact O-SG 3.29Å; D678-C681 PolarHBondContact O-N 2.87Å; C681-G685 WeakPolarHBondContact O-CA 3.27Å; C681-G685 PolarHBondContact O-N 3.11Å; C681-V686 HydrophobicContact CB-CB 4.15Å; C681-V686 PolarHBondContact O-N 3.14Å
682	A	89.3	Confident	90.3	Very high	22 Å²	22	16.1 Å²	16.1	18%	0.182	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-53.9	178.3	0	0	0	0	0	111.7	N100 R280 L316 D678 Y680 Y684	N100-A682 HydrophobicContact CB-CB 4.32Å; N100-A682 WeakPolarHBondContact ND2-CB 3.25Å; R280-A682 PolarHBondContact NH1-O 3.36Å; L316-A682 WeakPolarHBondContact CD1-O 3.33Å; L316-A682 HydrophobicContact CD2-CB 4.01Å; D678-A682 VanDerWaalsContact O-CB 3.29Å; D678-A682 WeakPolarHBondContact O-CB 3.43Å; D678-A682 PolarHBondContact O-N 3.17Å; Y680-A682 VanDerWaalsContact C-N 3.34Å; Y680-A682 PolarHBondContact O-N 3.45Å; A682-Y684 PolarHBondContact O-N 2.66Å
683	R	89.9	Confident	90.6	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-64.7	-39.7	-175.7	-174.4	173.1	178.7	158.7	-9.6	113.2	R93 Y97 F99 E276 R280 E679 Y680	R93-R683 PolarHBondContact O-NH1 3.33Å; Y97-R683 PolarHBondContact OH-NH2 3.44Å; Y97-R683 VanDerWaalsContact OH-NH2 3.07Å; F99-R683 HydrophobicContact CE1-CB 4.33Å; F99-R683 HydrophobicContact CE1-CG 4.18Å; E276-R683 VanDerWaalsContact CD-NH2 3.34Å; E276-R683 IonicContact OE1-NH2 3.76Å; E276-R683 PolarHBondContact OE1-NH2 3.41Å; E276-R683 IonicContact OE2-CZ 3.57Å; E276-R683 VanDerWaalsContact OE2-CZ 3.23Å; E276-R683 IonicContact OE2-NE 3.61Å; E276-R683 PolarHBondContact OE2-NE 3.42Å; E276-R683 IonicContact OE2-NH2 3.68Å; E276-R683 PolarHBondContact OE2-NH2 2.97Å; R280-R683 VanDerWaalsContact NH1-C 3.29Å; R280-R683 PolarHBondContact NH1-O 3.02Å; E679-R683 WeakPolarHBondContact O-CB 3.48Å; E679-R683 PolarHBondContact O-N 2.92Å; Y680-R683 PolarHBondContact O-N 2.92Å
684	Y	90.1	Very high	90.7	Very high	16 Å²	16	16.6 Å²	16.6	6%	0.063	10%	0.1	C	C	.	.	H	α-helix	trans	-102.3	-3.8	-175.3	-60.4	-62.3	0	0	0	115	F90 E276 P638 H643 Y680 A682	F90-Y684 HydrophobicContact CB-CD2 4.5Å; F90-Y684 HydrophobicContact CB-CE2 3.75Å; F90-Y684 HydrophobicContact CD1-CE1 4.17Å; F90-Y684 HydrophobicContact CD1-CE2 4.4Å; F90-Y684 AromaticContact CD1-CZ 3.82Å; F90-Y684 HydrophobicContact CG-CE2 4.26Å; E276-Y684 PolarHBondContact OE2-OH 2.79Å; P638-Y684 HydrophobicContact CB-CD1 3.99Å; P638-Y684 HydrophobicContact CB-CE1 3.84Å; P638-Y684 HydrophobicContact CG-CE1 4.12Å; H643-Y684 AromaticContact CE1-CD1 3.45Å; H643-Y684 VanDerWaalsContact CE1-CD1 3.45Å; H643-Y684 WeakPolarHBondContact CE1-CD1 3.17Å; H643-Y684 AromaticContact CE1-CG 3.48Å; H643-Y684 VanDerWaalsContact CE1-CG 3.48Å; H643-Y684 AromaticContact ND1-CG 3.7Å; H643-Y684 AromaticContact NE2-CD1 3.57Å; H643-Y684 AromaticContact NE2-CG 3.92Å; Y680-Y684 HydrophobicContact CD1-CD2 4.08Å; Y680-Y684 AromaticContact CD2-CD2 3.86Å; Y680-Y684 HydrophobicContact CD2-CD2 3.86Å; Y680-Y684 HydrophobicContact CD2-CE2 4.13Å; Y680-Y684 HydrophobicContact CE1-CD2 4.16Å; Y680-Y684 AromaticContact CE2-CD2 3.98Å; Y680-Y684 HydrophobicContact CE2-CD2 3.98Å; Y680-Y684 HydrophobicContact CE2-CE2 4.31Å; Y680-Y684 AromaticContact CG-CD2 3.91Å; Y680-Y684 HydrophobicContact CG-CD2 3.91Å; Y680-Y684 WeakPolarHBondContact O-CB 3.09Å; Y680-Y684 WeakPolarHBondContact O-CD2 3.17Å; Y680-Y684 PolarHBondContact O-N 2.97Å; A682-Y684 PolarHBondContact O-N 2.66Å
685	G	86.6	Confident	90.9	Very high	32 Å²	32	16 Å²	16	33%	0.33	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	30	169.9	0	0	0	0	0	115.4	C681	C681-G685 WeakPolarHBondContact O-CA 3.27Å; C681-G685 PolarHBondContact O-N 3.11Å
686	V	89.4	Confident	91	Very high	15 Å²	15	15.3 Å²	15.3	9%	0.091	9%	0.092	C	C	.	.			trans	-76.5	123	176.4	-173.3	0	0	0	0	109.5	H643 F647 Y680 C681	H643-V686 HydrophobicContact CB-CG2 4.21Å; F647-V686 HydrophobicContact CB-CG1 4.19Å; F647-V686 HydrophobicContact CB-CG2 3.99Å; F647-V686 HydrophobicContact CD1-CG1 4Å; F647-V686 HydrophobicContact CG-CG1 4.05Å; F647-V686 HydrophobicContact CG-CG2 4.29Å; Y680-V686 HydrophobicContact CD1-CG2 4.24Å; Y680-V686 HydrophobicContact CE1-CG2 4.09Å; C681-V686 HydrophobicContact CB-CB 4.15Å; C681-V686 PolarHBondContact O-N 3.14Å
687	R	86.4	Confident	91.1	Very high	39 Å²	39	16.1 Å²	16.1	15%	0.147	10%	0.098	C	C	.	.			trans	-69	139.4	-177.4	-55.9	-171.6	83.5	-149.3	7.5	111.7	E308 C689 H690 R691 T735 E740	E308-R687 IonicContact OE1-CZ 3.44Å; E308-R687 IonicContact OE1-NE 2.69Å; E308-R687 PolarHBondContact OE1-NE 2.67Å; E308-R687 IonicContact OE1-NH2 2.78Å; E308-R687 PolarHBondContact OE1-NH2 2.89Å; E308-R687 IonicContact OE2-CZ 2.75Å; E308-R687 IonicContact OE2-NH2 3.44Å; E308-R687 PolarHBondContact OE2-NH2 3.14Å; R687-C689 VanDerWaalsContact C-N 3.31Å; R687-C689 PolarHBondContact O-N 2.68Å; R687-H690 PolarHBondContact O-N 3.47Å; R687-R691 PolarHBondContact O-N 3.04Å; R687-R691 VanDerWaalsContact O-N 3.13Å; R687-T735 PolarHBondContact NH2-O 3.12Å; R687-T735 VanDerWaalsContact NH2-O 3.1Å; R687-T735 PolarHBondContact NH2-OG1 3.25Å; R687-E740 IonicContact CZ-OE1 3.15Å; R687-E740 IonicContact NE-OE1 2.71Å; R687-E740 IonicContact NH1-OE1 3.51Å; R687-E740 PolarHBondContact NH1-OE1 3.44Å; R687-E740 IonicContact NH1-OE2 2.71Å; R687-E740 PolarHBondContact NH1-OE2 3.42Å
688	G	87.3	Confident	91.1	Very high	31 Å²	31	16.2 Å²	16.2	32%	0.32	10%	0.099	S	C	.	.	H	α-helix	trans	-56.3	-40	-178.7	0	0	0	0	0	113.8	R691 H692	G688-R691 WeakPolarHBondContact O-CB 3.34Å; G688-R691 PolarHBondContact O-N 2.91Å; G688-H692 PolarHBondContact O-CD2 3.12Å; G688-H692 VanDerWaalsContact O-CD2 3.31Å; G688-H692 PolarHBondContact O-N 2.82Å
689	C	88.5	Confident	91.2	Very high	1 Å²	1	14 Å²	14	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-65.5	-46.6	178.6	-170.9	0	0	0	0	112.3	R687 R691 H692 L693 H724	R687-C689 VanDerWaalsContact C-N 3.31Å; R687-C689 PolarHBondContact O-N 2.68Å; C689-R691 VanDerWaalsContact C-N 3.27Å; C689-R691 PolarHBondContact O-N 3.24Å; C689-H692 PolarHBondContact O-N 3.21Å; C689-H692 VanDerWaalsContact O-N 3.09Å; C689-L693 WeakPolarHBondContact O-CB 3.35Å; C689-L693 VanDerWaalsContact O-CG 3.29Å; C689-L693 WeakPolarHBondContact O-CG 3.29Å; C689-L693 PolarHBondContact O-N 3.05Å; C689-H724 HydrophobicContact CB-CB 4.02Å; C689-H724 VanDerWaalsContact CB-CE1 3.45Å; C689-H724 WeakPolarHBondContact CB-CE1 3.46Å; C689-H724 VanDerWaalsContact CB-CG 3.44Å; C689-H724 VanDerWaalsContact CB-ND1 3.35Å; C689-H724 WeakPolarHBondContact CB-ND1 3.36Å; C689-H724 PolarHBondContact SG-CD2 3.04Å
690	H	90	Very high	91.2	Very high	24 Å²	24	14 Å²	14	11%	0.111	9%	0.087	C	C	.	.	H	α-helix	trans	-57.1	-40.5	174.2	173.9	80.2	0	0	0	112	A644 R687 C694 R743	A644-H690 PolarHBondContact O-NE2 3.36Å; R687-H690 PolarHBondContact O-N 3.47Å; H690-C694 PolarHBondContact CE1-SG 3.47Å; H690-C694 WeakPolarHBondContact O-CB 3.44Å; H690-C694 PolarHBondContact O-N 2.95Å; H690-C694 PolarHBondContact O-SG 2.98Å; H690-R743 PolarHBondContact CE1-NH1 3.19Å; H690-R743 PolarHBondContact ND1-NH1 3.36Å; H690-R743 VanDerWaalsContact ND1-NH1 3.16Å
691	R	92	Very high	91.2	Very high	42 Å²	42	17.9 Å²	17.9	16%	0.158	11%	0.105	C	C	.	.	H	α-helix	trans	-58.9	-46.3	172.9	166.9	-175.3	-174.6	-177.3	10.4	112.6	F647 Q651 D678 R687 G688 C689 Y695	F647-R691 HydrophobicContact CE1-CB 3.87Å; F647-R691 HydrophobicContact CE1-CG 3.76Å; F647-R691 HydrophobicContact CZ-CB 4.42Å; F647-R691 HydrophobicContact CZ-CG 3.94Å; Q651-R691 PolarHBondContact NE2-O 2.7Å; Q651-R691 PolarHBondContact OE1-O 3.44Å; D678-R691 IonicContact OD1-CZ 2.66Å; D678-R691 IonicContact OD1-NH1 2.57Å; D678-R691 PolarHBondContact OD1-NH1 3.45Å; D678-R691 IonicContact OD1-NH2 2.62Å; D678-R691 PolarHBondContact OD1-NH2 2.98Å; R687-R691 PolarHBondContact O-N 3.04Å; R687-R691 VanDerWaalsContact O-N 3.13Å; G688-R691 WeakPolarHBondContact O-CB 3.34Å; G688-R691 PolarHBondContact O-N 2.91Å; C689-R691 VanDerWaalsContact C-N 3.27Å; C689-R691 PolarHBondContact O-N 3.24Å; R691-Y695 WeakPolarHBondContact O-CB 3.42Å; R691-Y695 PolarHBondContact O-N 3.25Å
692	H	93.1	Very high	91	Very high	17 Å²	17	19.4 Å²	19.4	8%	0.079	11%	0.111	C	C	.	.	H	α-helix	trans	-76.5	-33.9	-178.8	-79.2	-78.7	0	0	0	113	G688 C689 Y695 L696 Y716 S717 F720 C721	G688-H692 PolarHBondContact O-CD2 3.12Å; G688-H692 VanDerWaalsContact O-CD2 3.31Å; G688-H692 PolarHBondContact O-N 2.82Å; C689-H692 PolarHBondContact O-N 3.21Å; C689-H692 VanDerWaalsContact O-N 3.09Å; H692-Y695 PolarHBondContact O-N 3.13Å; H692-L696 WeakPolarHBondContact O-CB 3.47Å; H692-L696 VanDerWaalsContact O-CG 3.28Å; H692-L696 WeakPolarHBondContact O-CG 3.46Å; H692-L696 PolarHBondContact O-N 3.41Å; H692-Y716 AromaticContact CE1-CE1 3.82Å; H692-S717 WeakPolarHBondContact ND1-CB 3.26Å; H692-S717 PolarHBondContact ND1-OG 2.93Å; H692-S717 VanDerWaalsContact ND1-OG 3.08Å; H692-F720 HydrophobicContact CB-CD1 4.16Å; H692-F720 AromaticContact CD2-CD1 3.49Å; H692-F720 VanDerWaalsContact CD2-CD1 3.49Å; H692-F720 WeakPolarHBondContact CD2-CD1 3.29Å; H692-F720 AromaticContact CD2-CE1 3.88Å; H692-F720 AromaticContact CD2-CG 3.76Å; H692-F720 AromaticContact CG-CD1 3.95Å; H692-C721 WeakPolarHBondContact CB-SG 3.38Å
693	L	93.1	Very high	91	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-63.6	-46.3	172	-68.5	172.1	0	0	0	111	C689 L696 A697 C721 E740 R743 F744 I747	C689-L693 WeakPolarHBondContact O-CB 3.35Å; C689-L693 VanDerWaalsContact O-CG 3.29Å; C689-L693 WeakPolarHBondContact O-CG 3.29Å; C689-L693 PolarHBondContact O-N 3.05Å; L693-L696 PolarHBondContact O-N 2.94Å; L693-A697 PolarHBondContact O-N 3.42Å; L693-C721 HydrophobicContact CD2-CB 4.03Å; L693-E740 HydrophobicContact CD1-CB 4.4Å; L693-R743 HydrophobicContact CD1-CB 4.35Å; L693-F744 HydrophobicContact CD2-CB 3.92Å; L693-F744 HydrophobicContact CD2-CD2 4.11Å; L693-I747 HydrophobicContact CB-CD1 4Å; L693-I747 HydrophobicContact CD2-CD1 3.88Å; L693-I747 VanDerWaalsContact O-CD1 3.24Å; L693-I747 WeakPolarHBondContact O-CD1 3.3Å
694	C	93.1	Very high	90.9	Very high	7 Å²	7	23.7 Å²	23.7	5%	0.047	13%	0.129	C	C	.	.	H	α-helix	trans	-59.5	-48	172.4	-67.7	0	0	0	0	110.6	R648 H690 L696 A697 E698	R648-C694 HydrophobicContact CG-CB 4.31Å; H690-C694 PolarHBondContact CE1-SG 3.47Å; H690-C694 WeakPolarHBondContact O-CB 3.44Å; H690-C694 PolarHBondContact O-N 2.95Å; H690-C694 PolarHBondContact O-SG 2.98Å; C694-L696 VanDerWaalsContact C-N 3.35Å; C694-L696 PolarHBondContact O-N 2.75Å; C694-A697 PolarHBondContact O-N 2.79Å; C694-A697 VanDerWaalsContact O-N 3.16Å; C694-E698 WeakPolarHBondContact O-CG 3.49Å; C694-E698 PolarHBondContact O-N 3.22Å
695	Y	94.1	Very high	90.7	Very high	13 Å²	13	29.1 Å²	29.1	5%	0.051	16%	0.16	C	C	.	.	H	α-helix	trans	-57.4	-45.8	179.7	-159.5	-161.4	0	0	0	112.7	L655 G667 F669 R691 H692 E698 L699 L713	L655-Y695 HydrophobicContact CD1-CE2 4.44Å; L655-Y695 HydrophobicContact CD2-CE2 4.48Å; G667-Y695 PolarHBondContact O-OH 3.41Å; G667-Y695 VanDerWaalsContact O-OH 3.09Å; F669-Y695 HydrophobicContact CD2-CE1 4.4Å; F669-Y695 HydrophobicContact CD2-CE2 4.08Å; F669-Y695 AromaticContact CD2-CZ 3.72Å; F669-Y695 WeakPolarHBondContact CD2-OH 3.45Å; F669-Y695 HydrophobicContact CE1-CE2 4.46Å; F669-Y695 AromaticContact CE2-CD2 3.93Å; F669-Y695 HydrophobicContact CE2-CD2 3.93Å; F669-Y695 HydrophobicContact CE2-CE1 4.05Å; F669-Y695 AromaticContact CE2-CE2 3.28Å; F669-Y695 HydrophobicContact CE2-CE2 3.28Å; F669-Y695 AromaticContact CE2-CZ 3.34Å; F669-Y695 WeakPolarHBondContact CE2-OH 3.49Å; F669-Y695 HydrophobicContact CZ-CD2 4.09Å; F669-Y695 AromaticContact CZ-CE2 3.51Å; F669-Y695 HydrophobicContact CZ-CE2 3.51Å; R691-Y695 WeakPolarHBondContact O-CB 3.42Å; R691-Y695 PolarHBondContact O-N 3.25Å; H692-Y695 PolarHBondContact O-N 3.13Å; Y695-E698 PolarHBondContact O-N 2.93Å; Y695-L699 HydrophobicContact CD1-CD1 4.11Å; Y695-L699 HydrophobicContact CD2-CD1 3.68Å; Y695-L699 HydrophobicContact CD2-CD2 4.42Å; Y695-L699 HydrophobicContact CD2-CG 3.8Å; Y695-L699 HydrophobicContact CE1-CD1 4.14Å; Y695-L699 HydrophobicContact CE2-CD1 3.71Å; Y695-L699 HydrophobicContact CE2-CD2 4Å; Y695-L699 HydrophobicContact CE2-CG 3.87Å; Y695-L699 HydrophobicContact CG-CD1 3.89Å; Y695-L699 HydrophobicContact CG-CG 4.43Å; Y695-L699 VanDerWaalsContact O-CB 3.25Å; Y695-L699 WeakPolarHBondContact O-CB 3.45Å; Y695-L699 WeakPolarHBondContact O-CG 3.45Å; Y695-L699 PolarHBondContact O-N 2.87Å; Y695-L713 HydrophobicContact CE1-CD1 3.78Å; Y695-L713 HydrophobicContact CE1-CG 4.35Å
696	L	94.3	Very high	90.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-45.1	176.7	-75.1	166.2	0	0	0	111.6	H692 L693 C694 L699 M700 L714 F718 I747	H692-L696 WeakPolarHBondContact O-CB 3.47Å; H692-L696 VanDerWaalsContact O-CG 3.28Å; H692-L696 WeakPolarHBondContact O-CG 3.46Å; H692-L696 PolarHBondContact O-N 3.41Å; L693-L696 PolarHBondContact O-N 2.94Å; C694-L696 VanDerWaalsContact C-N 3.35Å; C694-L696 PolarHBondContact O-N 2.75Å; L696-L699 PolarHBondContact O-N 3.29Å; L696-M700 WeakPolarHBondContact O-CB 3.36Å; L696-M700 VanDerWaalsContact O-CG 3.25Å; L696-M700 WeakPolarHBondContact O-CG 3.45Å; L696-M700 PolarHBondContact O-N 3.28Å; L696-L714 HydrophobicContact CD2-CD2 4Å; L696-F718 HydrophobicContact CD1-CB 4.36Å; L696-F718 HydrophobicContact CD2-CB 4.36Å; L696-I747 HydrophobicContact CB-CG2 3.99Å; L696-I747 HydrophobicContact CD1-CG2 4.03Å
697	A	93.9	Very high	90.1	Very high	16 Å²	16	30.3 Å²	30.3	13%	0.132	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-49.2	178.7	0	0	0	0	0	112.2	L693 C694 M700 E701 I747	L693-A697 PolarHBondContact O-N 3.42Å; C694-A697 PolarHBondContact O-N 2.79Å; C694-A697 VanDerWaalsContact O-N 3.16Å; A697-M700 PolarHBondContact O-N 3.3Å; A697-E701 WeakPolarHBondContact O-CB 3.43Å; A697-E701 PolarHBondContact O-N 2.96Å; A697-I747 HydrophobicContact CB-CD1 4.32Å
698	E	93.3	Very high	89.9	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.009	17%	0.173	C	C	.	.	H	α-helix	trans	-70.1	-33.2	-179.7	-50.5	-64.7	151.6	0	0	112	R648 R652 L655 C694 Y695 H702	R648-E698 IonicContact CZ-OE1 3.84Å; R648-E698 IonicContact NE-OE1 3.94Å; R648-E698 PolarHBondContact NE-OE1 3.07Å; R648-E698 IonicContact NH2-OE1 3.12Å; R648-E698 PolarHBondContact NH2-OE1 3.27Å; R652-E698 HydrophobicContact CB-CG 4.35Å; R652-E698 WeakPolarHBondContact CD-OE2 3.21Å; R652-E698 HydrophobicContact CG-CG 4.4Å; R652-E698 VanDerWaalsContact CG-OE2 3.28Å; R652-E698 WeakPolarHBondContact CG-OE2 3.49Å; L655-E698 HydrophobicContact CD2-CB 4.03Å; C694-E698 WeakPolarHBondContact O-CG 3.49Å; C694-E698 PolarHBondContact O-N 3.22Å; Y695-E698 PolarHBondContact O-N 2.93Å; E698-H702 PolarHBondContact O-N 3.39Å; E698-H702 VanDerWaalsContact O-N 3.09Å; E698-H702 PolarHBondContact O-ND1 3.44Å
699	L	93.2	Very high	90	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.6	-40.7	174.3	-73.9	170.7	0	0	0	112.4	L655 Y695 L696 H702 S703 I709 L713 L714	L655-L699 HydrophobicContact CD1-CD2 4.01Å; L655-L699 HydrophobicContact CD2-CD2 3.9Å; L655-L699 HydrophobicContact CD2-CG 4.23Å; Y695-L699 HydrophobicContact CD1-CD1 4.11Å; Y695-L699 HydrophobicContact CD2-CD1 3.68Å; Y695-L699 HydrophobicContact CD2-CD2 4.42Å; Y695-L699 HydrophobicContact CD2-CG 3.8Å; Y695-L699 HydrophobicContact CE1-CD1 4.14Å; Y695-L699 HydrophobicContact CE2-CD1 3.71Å; Y695-L699 HydrophobicContact CE2-CD2 4Å; Y695-L699 HydrophobicContact CE2-CG 3.87Å; Y695-L699 HydrophobicContact CG-CD1 3.89Å; Y695-L699 HydrophobicContact CG-CG 4.43Å; Y695-L699 VanDerWaalsContact O-CB 3.25Å; Y695-L699 WeakPolarHBondContact O-CB 3.45Å; Y695-L699 WeakPolarHBondContact O-CG 3.45Å; Y695-L699 PolarHBondContact O-N 2.87Å; L696-L699 PolarHBondContact O-N 3.29Å; L699-H702 PolarHBondContact O-N 2.94Å; L699-S703 PolarHBondContact O-N 3.05Å; L699-I709 HydrophobicContact CB-CG2 4.43Å; L699-I709 HydrophobicContact CD2-CD1 3.95Å; L699-I709 HydrophobicContact CD2-CG1 4.41Å; L699-I709 HydrophobicContact CD2-CG2 3.91Å; L699-L713 HydrophobicContact CD1-CD2 4.04Å; L699-L713 HydrophobicContact CD1-CG 4.06Å; L699-L713 HydrophobicContact CD2-CD2 4.21Å; L699-L714 HydrophobicContact CB-CD2 3.82Å; L699-L714 HydrophobicContact CD1-CD2 4.06Å
700	M	92.8	Very high	89.9	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.4	-43.7	174.4	-73.7	-173.2	-59.7	0	0	111.1	L696 A697 H702 S703 E704 I747 R750 L751 L754	L696-M700 WeakPolarHBondContact O-CB 3.36Å; L696-M700 VanDerWaalsContact O-CG 3.25Å; L696-M700 WeakPolarHBondContact O-CG 3.45Å; L696-M700 PolarHBondContact O-N 3.28Å; A697-M700 PolarHBondContact O-N 3.3Å; M700-H702 VanDerWaalsContact C-N 3.33Å; M700-H702 PolarHBondContact O-N 2.93Å; M700-S703 CarbonylContact O-C 3.34Å; M700-S703 PolarHBondContact O-N 3.3Å; M700-E704 WeakPolarHBondContact O-CB 3.4Å; M700-E704 WeakPolarHBondContact O-CG 3.27Å; M700-E704 PolarHBondContact O-N 3.13Å; M700-I747 HydrophobicContact CE-CB 4.18Å; M700-I747 HydrophobicContact CE-CG1 3.97Å; M700-I747 HydrophobicContact CE-CG2 3.81Å; M700-R750 HydrophobicContact CE-CB 4.3Å; M700-R750 HydrophobicContact CE-CG 4.13Å; M700-R750 HydrophobicContact SD-CB 4.32Å; M700-R750 HydrophobicContact SD-CG 4.05Å; M700-L751 HydrophobicContact CG-CD1 4.35Å; M700-L751 HydrophobicContact SD-CB 3.68Å; M700-L751 HydrophobicContact SD-CD1 4.06Å; M700-L751 HydrophobicContact SD-CG 4.41Å; M700-L754 HydrophobicContact CB-CD2 4.11Å; M700-L754 HydrophobicContact CG-CD2 3.84Å
701	E	91.9	Very high	89.8	Confident	82 Å²	82	28.9 Å²	28.9	38%	0.383	16%	0.162	S	C	.	.	H	α-helix	trans	-60.7	-41	177.1	-169.7	166.3	150	0	0	112	A697 N705	A697-E701 WeakPolarHBondContact O-CB 3.43Å; A697-E701 PolarHBondContact O-N 2.96Å; E701-N705 WeakPolarHBondContact O-CB 3.12Å; E701-N705 VanDerWaalsContact O-CG 3.31Å; E701-N705 PolarHBondContact O-N 3.33Å; E701-N705 PolarHBondContact O-ND2 2.91Å
702	H	89.4	Confident	89.6	Confident	43 Å²	43	30.3 Å²	30.3	20%	0.199	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-37.8	171.6	-80.7	91.5	0	0	0	113	D656 L659 E698 L699 M700 N705 G706 A707 I709	D656-H702 IonicContact OD1-CE1 2.79Å; D656-H702 PolarHBondContact OD1-CE1 3.46Å; D656-H702 IonicContact OD1-NE2 2.69Å; L659-H702 HydrophobicContact CD1-CB 3.99Å; L659-H702 WeakPolarHBondContact CD1-CD2 3.19Å; E698-H702 PolarHBondContact O-N 3.39Å; E698-H702 VanDerWaalsContact O-N 3.09Å; E698-H702 PolarHBondContact O-ND1 3.44Å; L699-H702 PolarHBondContact O-N 2.94Å; M700-H702 VanDerWaalsContact C-N 3.33Å; M700-H702 PolarHBondContact O-N 2.93Å; H702-N705 CarbonylContact O-C 3.58Å; H702-N705 PolarHBondContact O-N 2.96Å; H702-G706 PolarHBondContact O-N 3.15Å; H702-A707 HydrophobicContact CB-CB 4.22Å; H702-A707 VanDerWaalsContact O-CB 3.26Å; H702-A707 WeakPolarHBondContact O-CB 3.11Å; H702-A707 PolarHBondContact O-N 3.24Å; H702-I709 HydrophobicContact CB-CD1 4.45Å
703	S	88.3	Confident	89.5	Confident	18 Å²	18	29.6 Å²	29.6	13%	0.126	17%	0.172	C	C	.	.	H	α-helix	trans	-70.3	-38.4	177.7	-168.6	0	0	0	0	113.1	L699 M700 N705 G706 A707 Q758	L699-S703 PolarHBondContact O-N 3.05Å; M700-S703 CarbonylContact O-C 3.34Å; M700-S703 PolarHBondContact O-N 3.3Å; S703-N705 VanDerWaalsContact C-N 3.34Å; S703-G706 WeakPolarHBondContact O-CA 3.39Å; S703-G706 PolarHBondContact O-N 2.96Å; S703-A707 WeakPolarHBondContact CA-O 3.46Å; S703-Q758 PolarHBondContact OG-NE2 3.23Å
704	E	87.6	Confident	89.4	Confident	96 Å²	96	29.6 Å²	29.6	45%	0.449	17%	0.172	S	C	.	.	H	α-helix	trans	-64.9	-37.5	172.9	-71.8	166.1	-167.4	0	0	111.6	M700 G706 R750 L754	M700-E704 WeakPolarHBondContact O-CB 3.4Å; M700-E704 WeakPolarHBondContact O-CG 3.27Å; M700-E704 PolarHBondContact O-N 3.13Å; E704-G706 PolarHBondContact O-N 3.05Å; E704-R750 IonicContact OE1-CZ 3.15Å; E704-R750 IonicContact OE1-NE 3.42Å; E704-R750 PolarHBondContact OE1-NE 3.44Å; E704-R750 IonicContact OE1-NH2 3.97Å; E704-R750 PolarHBondContact OE1-NH2 2.94Å; E704-R750 IonicContact OE2-CZ 2.64Å; E704-R750 IonicContact OE2-NE 3.46Å; E704-R750 PolarHBondContact OE2-NE 3.49Å; E704-R750 IonicContact OE2-NH2 3.82Å; E704-R750 PolarHBondContact OE2-NH2 2.89Å; E704-L754 HydrophobicContact CG-CD1 4.06Å
705	N	85.9	Confident	89.3	Confident	131 Å²	131	32 Å²	32	70%	0.701	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	3.7	170.3	-72.3	-46.3	0	0	0	113.9	E701 H702 S703	E701-N705 WeakPolarHBondContact O-CB 3.12Å; E701-N705 VanDerWaalsContact O-CG 3.31Å; E701-N705 PolarHBondContact O-N 3.33Å; E701-N705 PolarHBondContact O-ND2 2.91Å; H702-N705 CarbonylContact O-C 3.58Å; H702-N705 PolarHBondContact O-N 2.96Å; S703-N705 VanDerWaalsContact C-N 3.34Å
706	G	79.9	Confident	89.1	Confident	48 Å²	48	37.8 Å²	37.8	50%	0.495	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	7.1	170.5	0	0	0	0	0	116.4	S165 H702 S703 E704	S165-G706 WeakPolarHBondContact CB-O 3.44Å; H702-G706 PolarHBondContact O-N 3.15Å; S703-G706 WeakPolarHBondContact O-CA 3.39Å; S703-G706 PolarHBondContact O-N 2.96Å; E704-G706 PolarHBondContact O-N 3.05Å
707	A	84.3	Confident	89	Confident	23 Å²	23	37.8 Å²	37.8	19%	0.19	21%	0.205	C	C	.	.			trans	-72.8	145.2	170.3	0	0	0	0	0	111.2	H702 S703	H702-A707 HydrophobicContact CB-CB 4.22Å; H702-A707 VanDerWaalsContact O-CB 3.26Å; H702-A707 WeakPolarHBondContact O-CB 3.11Å; H702-A707 PolarHBondContact O-N 3.24Å; S703-A707 WeakPolarHBondContact CA-O 3.46Å
708	V	82.7	Confident	88.9	Confident	27 Å²	27	37.1 Å²	37.1	16%	0.164	20%	0.2	C	C	.	.			trans	-88	115.1	176.1	176.6	0	0	0	0	109.4	S165 L666 P771	S165-V708 VanDerWaalsContact OG-CG2 3.32Å; S165-V708 WeakPolarHBondContact OG-CG2 3.08Å; L666-V708 HydrophobicContact CD2-CG1 4.08Å; V708-P771 HydrophobicContact CG1-CG 3.83Å
709	I	88.3	Confident	88.7	Confident	10 Å²	10	37.8 Å²	37.8	5%	0.051	21%	0.205	C	C	.	.			trans	-108	142.5	176.2	-56.2	-56.4	0	0	0	108.9	L659 L699 H702 P711 L714	L659-I709 HydrophobicContact CD1-CD1 4.48Å; L659-I709 HydrophobicContact CD2-CD1 3.9Å; L699-I709 HydrophobicContact CB-CG2 4.43Å; L699-I709 HydrophobicContact CD2-CD1 3.95Å; L699-I709 HydrophobicContact CD2-CG1 4.41Å; L699-I709 HydrophobicContact CD2-CG2 3.91Å; H702-I709 HydrophobicContact CB-CD1 4.45Å; I709-P711 WeakPolarHBondContact O-CD 3.48Å; I709-L714 HydrophobicContact CG2-CD1 4.34Å; I709-L714 HydrophobicContact CG2-CD2 4.38Å; I709-L714 HydrophobicContact CG2-CG 4.09Å
710	D	86.5	Confident	88.5	Confident	27 Å²	27	39.8 Å²	39.8	14%	0.144	21%	0.214	C	C	.	.			trans	-68.3	119.1	175.2	-179.4	-2.2	0	0	0	110.9	L666 W668 T712 L713 L714	L666-D710 HydrophobicContact CB-CB 3.82Å; L666-D710 HydrophobicContact CD1-CB 4.46Å; L666-D710 PolarHBondContact O-N 3.2Å; W668-D710 PolarHBondContact NE1-OD2 2.89Å; D710-T712 PolarHBondContact O-N 2.84Å; D710-T712 VanDerWaalsContact O-N 3.15Å; D710-T712 WeakPolarHBondContact OD1-CA 3.5Å; D710-T712 WeakPolarHBondContact OD1-CB 3.49Å; D710-T712 PolarHBondContact OD1-N 3.3Å; D710-T712 PolarHBondContact OD1-OG1 3.4Å; D710-L713 HydrophobicContact CB-CB 4.18Å; D710-L713 WeakPolarHBondContact O-CB 3.33Å; D710-L713 PolarHBondContact O-N 3.06Å; D710-L714 PolarHBondContact O-N 3.38Å
711	P	87.8	Confident	88.3	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.013	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-23.4	176.7	-23.1	35.8	0	0	0	113.3	I709 L713 L714 H715 F766 A774 A777 T778	I709-P711 WeakPolarHBondContact O-CD 3.48Å; P711-L713 VanDerWaalsContact C-N 3.33Å; P711-L714 PolarHBondContact O-N 3.36Å; P711-H715 VanDerWaalsContact O-CB 3.31Å; P711-H715 WeakPolarHBondContact O-CB 3.44Å; P711-H715 PolarHBondContact O-N 2.97Å; P711-F766 HydrophobicContact CG-CE1 4.27Å; P711-A774 HydrophobicContact CG-CB 4.11Å; P711-A777 HydrophobicContact CB-CB 3.96Å; P711-T778 VanDerWaalsContact CG-OG1 3.27Å; P711-T778 WeakPolarHBondContact CG-OG1 3.47Å
712	T	88.8	Confident	88.2	Confident	71 Å²	71	36 Å²	36	44%	0.436	20%	0.197	S	C	.	.	H	α-helix	trans	-65.4	-36.1	174.2	-37.9	0	0	0	0	111.9	D710 H715 Y716	D710-T712 PolarHBondContact O-N 2.84Å; D710-T712 VanDerWaalsContact O-N 3.15Å; D710-T712 WeakPolarHBondContact OD1-CA 3.5Å; D710-T712 WeakPolarHBondContact OD1-CB 3.49Å; D710-T712 PolarHBondContact OD1-N 3.3Å; D710-T712 PolarHBondContact OD1-OG1 3.4Å; T712-H715 PolarHBondContact O-N 3.22Å; T712-Y716 WeakPolarHBondContact O-CB 3.34Å; T712-Y716 PolarHBondContact O-N 3.42Å
713	L	89.9	Confident	88	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-70.8	-41.7	177.5	177.9	60	0	0	0	111.8	G667 W668 Y695 L699 D710 P711 S717	G667-L713 VanDerWaalsContact C-CD2 3.45Å; W668-L713 HydrophobicContact CD2-CB 4.39Å; W668-L713 HydrophobicContact CD2-CD1 3.89Å; W668-L713 HydrophobicContact CD2-CD2 4.29Å; W668-L713 HydrophobicContact CD2-CG 4.43Å; W668-L713 HydrophobicContact CE3-CD1 3.75Å; W668-L713 HydrophobicContact CG-CD2 4.18Å; W668-L713 HydrophobicContact CH2-CB 4.49Å; W668-L713 HydrophobicContact CH2-CD1 4.01Å; W668-L713 HydrophobicContact CZ2-CB 3.89Å; W668-L713 HydrophobicContact CZ2-CD1 4.15Å; W668-L713 HydrophobicContact CZ3-CD1 3.81Å; Y695-L713 HydrophobicContact CE1-CD1 3.78Å; Y695-L713 HydrophobicContact CE1-CG 4.35Å; L699-L713 HydrophobicContact CD1-CD2 4.04Å; L699-L713 HydrophobicContact CD1-CG 4.06Å; L699-L713 HydrophobicContact CD2-CD2 4.21Å; D710-L713 HydrophobicContact CB-CB 4.18Å; D710-L713 WeakPolarHBondContact O-CB 3.33Å; D710-L713 PolarHBondContact O-N 3.06Å; P711-L713 VanDerWaalsContact C-N 3.33Å; L713-S717 PolarHBondContact O-N 2.87Å; L713-S717 VanDerWaalsContact O-N 3.15Å; L713-S717 PolarHBondContact O-OG 2.86Å
714	L	91.6	Very high	87.9	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-45.2	170.8	-66.6	174.5	0	0	0	110.3	L696 L699 I709 D710 P711 S717 F718 L751 L781	L696-L714 HydrophobicContact CD2-CD2 4Å; L699-L714 HydrophobicContact CB-CD2 3.82Å; L699-L714 HydrophobicContact CD1-CD2 4.06Å; I709-L714 HydrophobicContact CG2-CD1 4.34Å; I709-L714 HydrophobicContact CG2-CD2 4.38Å; I709-L714 HydrophobicContact CG2-CG 4.09Å; D710-L714 PolarHBondContact O-N 3.38Å; P711-L714 PolarHBondContact O-N 3.36Å; L714-S717 PolarHBondContact O-N 2.83Å; L714-F718 VanDerWaalsContact O-CB 3.25Å; L714-F718 WeakPolarHBondContact O-CB 3.43Å; L714-F718 PolarHBondContact O-N 3.34Å; L714-L751 HydrophobicContact CD1-CD1 4.48Å; L714-L781 HydrophobicContact CB-CD2 3.61Å
715	H	90.3	Very high	87.8	Confident	58 Å²	58	30.9 Å²	30.9	27%	0.269	18%	0.175	S	C	.	.	H	α-helix	trans	-61.7	-45.8	178.5	179.2	-79.4	0	0	0	112.6	P711 T712 A719 L781 R784	P711-H715 VanDerWaalsContact O-CB 3.31Å; P711-H715 WeakPolarHBondContact O-CB 3.44Å; P711-H715 PolarHBondContact O-N 2.97Å; T712-H715 PolarHBondContact O-N 3.22Å; H715-A719 WeakPolarHBondContact O-CB 3.34Å; H715-A719 PolarHBondContact O-N 2.94Å; H715-L781 HydrophobicContact CB-CB 4.38Å; H715-L781 HydrophobicContact CB-CD1 3.92Å; H715-L781 HydrophobicContact CB-CD2 4.3Å; H715-L781 HydrophobicContact CB-CG 4.42Å; H715-R784 VanDerWaalsContact NE2-CD 3.27Å; H715-R784 WeakPolarHBondContact NE2-CD 3.15Å
716	Y	90.3	Very high	87.6	Confident	133 Å²	133	27.1 Å²	27.1	52%	0.522	15%	0.153	S	C	.	.	H	α-helix	trans	-58.6	-49	175.9	175.9	-106.2	0	0	0	112	H692 T712 A719 F720	H692-Y716 AromaticContact CE1-CE1 3.82Å; T712-Y716 WeakPolarHBondContact O-CB 3.34Å; T712-Y716 PolarHBondContact O-N 3.42Å; Y716-A719 PolarHBondContact O-N 3.32Å; Y716-F720 PolarHBondContact O-N 3.25Å
717	S	91.4	Very high	87	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.5	-39.3	-178.6	-61.6	0	0	0	0	112.7	H692 L713 L714 F720 C721	H692-S717 WeakPolarHBondContact ND1-CB 3.26Å; H692-S717 PolarHBondContact ND1-OG 2.93Å; H692-S717 VanDerWaalsContact ND1-OG 3.08Å; L713-S717 PolarHBondContact O-N 2.87Å; L713-S717 VanDerWaalsContact O-N 3.15Å; L713-S717 PolarHBondContact O-OG 2.86Å; L714-S717 PolarHBondContact O-N 2.83Å; S717-F720 PolarHBondContact O-N 2.88Å; S717-C721 PolarHBondContact O-N 2.89Å; S717-C721 VanDerWaalsContact O-N 3.08Å
718	F	92.3	Very high	85.9	Confident	2 Å²	2	30.7 Å²	30.7	1%	0.009	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-42.1	175.6	-178	-96.1	0	0	0	111.5	L696 L714 F720 C721 A722 F744 K748 L751 L781 R784 V785	L696-F718 HydrophobicContact CD1-CB 4.36Å; L696-F718 HydrophobicContact CD2-CB 4.36Å; L714-F718 VanDerWaalsContact O-CB 3.25Å; L714-F718 WeakPolarHBondContact O-CB 3.43Å; L714-F718 PolarHBondContact O-N 3.34Å; F718-F720 VanDerWaalsContact C-N 3.3Å; F718-F720 PolarHBondContact O-N 3.44Å; F718-C721 PolarHBondContact O-N 3.48Å; F718-A722 HydrophobicContact CE1-CB 4.43Å; F718-A722 WeakPolarHBondContact O-CB 3.32Å; F718-A722 PolarHBondContact O-N 3.09Å; F718-F744 AromaticContact CD2-CE2 3.98Å; F718-F744 HydrophobicContact CD2-CE2 3.98Å; F718-F744 AromaticContact CE2-CE2 3.52Å; F718-F744 HydrophobicContact CE2-CE2 3.52Å; F718-F744 AromaticContact CE2-CZ 3.78Å; F718-F744 HydrophobicContact CE2-CZ 3.78Å; F718-F744 AromaticContact CZ-CE2 3.99Å; F718-F744 HydrophobicContact CZ-CE2 3.99Å; F718-F744 AromaticContact CZ-CZ 3.8Å; F718-F744 HydrophobicContact CZ-CZ 3.8Å; F718-K748 HydrophobicContact CE2-CB 4.22Å; F718-K748 HydrophobicContact CE2-CG 4.14Å; F718-K748 HydrophobicContact CZ-CG 4.11Å; F718-L751 HydrophobicContact CB-CD2 4.22Å; F718-L751 HydrophobicContact CD2-CD2 3.69Å; F718-L751 HydrophobicContact CE2-CD2 4.31Å; F718-L751 HydrophobicContact CG-CD2 4Å; F718-L781 HydrophobicContact CB-CD1 4.22Å; F718-L781 HydrophobicContact CD1-CD1 4.14Å; F718-L781 HydrophobicContact CG-CD1 4.37Å; F718-R784 HydrophobicContact CD1-CG 4.42Å; F718-R784 HydrophobicContact CE1-CG 4.37Å; F718-V785 HydrophobicContact CD1-CG2 3.98Å; F718-V785 HydrophobicContact CD2-CG2 4.34Å; F718-V785 HydrophobicContact CE1-CB 4.35Å; F718-V785 HydrophobicContact CE1-CG2 3.72Å; F718-V785 HydrophobicContact CE2-CG2 4.09Å; F718-V785 HydrophobicContact CG-CG2 4.29Å; F718-V785 HydrophobicContact CZ-CB 4.29Å; F718-V785 HydrophobicContact CZ-CG2 3.78Å
719	A	89.2	Confident	84.9	Confident	16 Å²	16	31.7 Å²	31.7	13%	0.132	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-39.2	174.9	0	0	0	0	0	112	H715 Y716 S723	H715-A719 WeakPolarHBondContact O-CB 3.34Å; H715-A719 PolarHBondContact O-N 2.94Å; Y716-A719 PolarHBondContact O-N 3.32Å; A719-S723 WeakPolarHBondContact O-CB 3.48Å; A719-S723 PolarHBondContact O-N 3.43Å; A719-S723 PolarHBondContact O-OG 3.01Å; A719-S723 VanDerWaalsContact O-OG 3.05Å
720	F	89	Confident	83.1	Confident	42 Å²	42	36.8 Å²	36.8	18%	0.184	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-51.4	174.2	-172.9	-81.7	0	0	0	111.9	H692 Y716 S717 F718 A722 S723 H724 D731	H692-F720 HydrophobicContact CB-CD1 4.16Å; H692-F720 AromaticContact CD2-CD1 3.49Å; H692-F720 VanDerWaalsContact CD2-CD1 3.49Å; H692-F720 WeakPolarHBondContact CD2-CD1 3.29Å; H692-F720 AromaticContact CD2-CE1 3.88Å; H692-F720 AromaticContact CD2-CG 3.76Å; H692-F720 AromaticContact CG-CD1 3.95Å; Y716-F720 PolarHBondContact O-N 3.25Å; S717-F720 PolarHBondContact O-N 2.88Å; F718-F720 VanDerWaalsContact C-N 3.3Å; F718-F720 PolarHBondContact O-N 3.44Å; F720-A722 PolarHBondContact O-N 2.85Å; F720-S723 PolarHBondContact O-N 3.46Å; F720-H724 PolarHBondContact O-N 3.28Å; F720-D731 VanDerWaalsContact CE2-OD2 3.29Å; F720-D731 WeakPolarHBondContact CE2-OD2 3.35Å; F720-D731 VanDerWaalsContact CZ-OD2 3.23Å; F720-D731 WeakPolarHBondContact CZ-OD2 3.39Å
721	C	89.8	Confident	81.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-41.2	179.1	-70.1	0	0	0	0	112.8	H692 L693 S717 F718 S723 H724 V725 F744	H692-C721 WeakPolarHBondContact CB-SG 3.38Å; L693-C721 HydrophobicContact CD2-CB 4.03Å; S717-C721 PolarHBondContact O-N 2.89Å; S717-C721 VanDerWaalsContact O-N 3.08Å; F718-C721 PolarHBondContact O-N 3.48Å; C721-S723 PolarHBondContact O-N 2.74Å; C721-H724 WeakPolarHBondContact O-CB 3.43Å; C721-H724 PolarHBondContact O-N 3.32Å; C721-V725 WeakPolarHBondContact O-CG2 3.4Å; C721-V725 PolarHBondContact O-N 3.02Å; C721-F744 HydrophobicContact CB-CD2 3.69Å; C721-F744 HydrophobicContact CB-CE2 3.85Å
722	A	88.7	Confident	80	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.033	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-43.9	174.8	0	0	0	0	0	111.4	F718 F720 H724 V725 H726 F744 I790	F718-A722 HydrophobicContact CE1-CB 4.43Å; F718-A722 WeakPolarHBondContact O-CB 3.32Å; F718-A722 PolarHBondContact O-N 3.09Å; F720-A722 PolarHBondContact O-N 2.85Å; A722-H724 VanDerWaalsContact C-N 3.3Å; A722-H724 PolarHBondContact O-N 3.39Å; A722-V725 PolarHBondContact O-N 2.93Å; A722-H726 VanDerWaalsContact O-CB 3.31Å; A722-H726 WeakPolarHBondContact O-CB 3.47Å; A722-H726 PolarHBondContact O-N 3.32Å; A722-H726 PolarHBondContact O-ND1 3.47Å; A722-F744 HydrophobicContact CB-CE2 4.17Å; A722-F744 HydrophobicContact CB-CZ 3.77Å; A722-I790 VanDerWaalsContact C-CD1 3.48Å; A722-I790 HydrophobicContact CB-CD1 4.11Å; A722-I790 WeakPolarHBondContact O-CD1 3.45Å
723	S	86	Confident	78.7	Confident	23 Å²	23	42.6 Å²	42.6	16%	0.161	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-37.2	175.5	-68.6	0	0	0	0	112	A719 F720 C721 G727 N728 R729 I790	A719-S723 WeakPolarHBondContact O-CB 3.48Å; A719-S723 PolarHBondContact O-N 3.43Å; A719-S723 PolarHBondContact O-OG 3.01Å; A719-S723 VanDerWaalsContact O-OG 3.05Å; F720-S723 PolarHBondContact O-N 3.46Å; C721-S723 PolarHBondContact O-N 2.74Å; S723-G727 PolarHBondContact O-N 2.89Å; S723-N728 WeakPolarHBondContact CB-O 3.46Å; S723-R729 VanDerWaalsContact O-CG 3.31Å; S723-R729 WeakPolarHBondContact O-CG 3.37Å; S723-I790 VanDerWaalsContact CA-CD1 3.41Å
724	H	85.6	Confident	77.6	Confident	11 Å²	11	44.6 Å²	44.6	5%	0.051	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-51.7	174.1	-179.7	102.7	0	0	0	112	C689 F720 C721 A722 R729 V736 E740	C689-H724 HydrophobicContact CB-CB 4.02Å; C689-H724 VanDerWaalsContact CB-CE1 3.45Å; C689-H724 WeakPolarHBondContact CB-CE1 3.46Å; C689-H724 VanDerWaalsContact CB-CG 3.44Å; C689-H724 VanDerWaalsContact CB-ND1 3.35Å; C689-H724 WeakPolarHBondContact CB-ND1 3.36Å; C689-H724 PolarHBondContact SG-CD2 3.04Å; F720-H724 PolarHBondContact O-N 3.28Å; C721-H724 WeakPolarHBondContact O-CB 3.43Å; C721-H724 PolarHBondContact O-N 3.32Å; A722-H724 VanDerWaalsContact C-N 3.3Å; A722-H724 PolarHBondContact O-N 3.39Å; H724-R729 PolarHBondContact CE1-NH1 3.38Å; H724-R729 PolarHBondContact CE1-NH2 3.17Å; H724-R729 PolarHBondContact ND1-NH1 3.25Å; H724-R729 PolarHBondContact ND1-NH2 3.07Å; H724-R729 PolarHBondContact O-NE 3.1Å; H724-R729 VanDerWaalsContact O-NE 3.12Å; H724-R729 PolarHBondContact O-NH2 3.01Å; H724-V736 WeakPolarHBondContact O-CG2 3.38Å; H724-E740 IonicContact CD2-OE2 3.35Å; H724-E740 IonicContact CE1-OE1 3.18Å; H724-E740 IonicContact CE1-OE2 3.45Å; H724-E740 VanDerWaalsContact NE2-CD 3.34Å; H724-E740 IonicContact NE2-OE1 2.75Å; H724-E740 IonicContact NE2-OE2 3.51Å; H724-E740 PolarHBondContact NE2-OE2 3.09Å
725	V	85	Confident	77.2	Confident	14 Å²	14	44.4 Å²	44.4	9%	0.085	27%	0.27	C	S	.	.	H	α-helix	trans	-75.6	-34.5	-173.2	175.9	0	0	0	0	112.9	C721 A722 V736 K741 F744	C721-V725 WeakPolarHBondContact O-CG2 3.4Å; C721-V725 PolarHBondContact O-N 3.02Å; A722-V725 PolarHBondContact O-N 2.93Å; V725-V736 HydrophobicContact CG2-CG1 4.36Å; V725-K741 HydrophobicContact CG1-CB 4.25Å; V725-K741 HydrophobicContact CG1-CD 4.12Å; V725-K741 HydrophobicContact CG1-CG 3.99Å; V725-F744 HydrophobicContact CB-CD1 4.12Å; V725-F744 HydrophobicContact CB-CE1 4.46Å; V725-F744 HydrophobicContact CG1-CD1 4.03Å; V725-F744 HydrophobicContact CG2-CB 3.98Å; V725-F744 HydrophobicContact CG2-CD1 4.03Å; V725-F744 HydrophobicContact CG2-CG 3.95Å
726	H	81.4	Confident	77	Confident	53 Å²	53	41.9 Å²	41.9	25%	0.245	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3.1	-179.8	-56.4	150.1	0	0	0	114.3	A722 N728 I790	A722-H726 VanDerWaalsContact O-CB 3.31Å; A722-H726 WeakPolarHBondContact O-CB 3.47Å; A722-H726 PolarHBondContact O-N 3.32Å; A722-H726 PolarHBondContact O-ND1 3.47Å; H726-N728 VanDerWaalsContact C-N 3.35Å; H726-N728 PolarHBondContact O-N 3.04Å; H726-I790 HydrophobicContact CB-CD1 4.19Å; H726-I790 HydrophobicContact CB-CG1 4.38Å
727	G	68.7	Low	76.8	Confident	52 Å²	52	36.1 Å²	36.1	54%	0.536	24%	0.237	S	C	.	.	S	Bend	trans	84.8	-14.7	169.1	0	0	0	0	0	117.1	S723 R729	S723-G727 PolarHBondContact O-N 2.89Å; G727-R729 PolarHBondContact O-N 3.24Å; G727-R729 VanDerWaalsContact O-N 3.17Å
728	N	60.9	Low	76.6	Confident	94 Å²	94	38.1 Å²	38.1	50%	0.503	25%	0.249	S	C	.	.			trans	-83	86.7	176.7	-73.2	-21.3	0	0	0	111.1	S723 H726 I790	S723-N728 WeakPolarHBondContact CB-O 3.46Å; H726-N728 VanDerWaalsContact C-N 3.35Å; H726-N728 PolarHBondContact O-N 3.04Å; N728-I790 HydrophobicContact CB-CG2 4.35Å
729	R	60.8	Low	76.4	Confident	47 Å²	47	43.1 Å²	43.1	18%	0.177	27%	0.273	C	S	.	.			trans	-111.4	142.4	-172.2	-60.8	-162.8	-155.7	176.1	-2	115.7	S723 H724 G727 I733 T735	S723-R729 VanDerWaalsContact O-CG 3.31Å; S723-R729 WeakPolarHBondContact O-CG 3.37Å; H724-R729 PolarHBondContact CE1-NH1 3.38Å; H724-R729 PolarHBondContact CE1-NH2 3.17Å; H724-R729 PolarHBondContact ND1-NH1 3.25Å; H724-R729 PolarHBondContact ND1-NH2 3.07Å; H724-R729 PolarHBondContact O-NE 3.1Å; H724-R729 VanDerWaalsContact O-NE 3.12Å; H724-R729 PolarHBondContact O-NH2 3.01Å; G727-R729 PolarHBondContact O-N 3.24Å; G727-R729 VanDerWaalsContact O-N 3.17Å; R729-I733 WeakPolarHBondContact CD-O 3.47Å; R729-I733 PolarHBondContact NE-O 2.91Å; R729-I733 PolarHBondContact NH1-O 2.94Å; R729-T735 PolarHBondContact NH1-O 3.39Å; R729-T735 PolarHBondContact NH2-O 2.9Å
730	P	50.3	Low	76.4	Confident	118 Å²	118	43 Å²	43	77%	0.766	27%	0.27	S	S	*	.	S	Bend	trans	-72.1	-34.7	162.1	-12.8	28.8	0	0	0	112.8	G732	P730-G732 VanDerWaalsContact C-N 3.28Å; P730-G732 PolarHBondContact O-N 2.96Å
731	D	54.7	Low	76.4	Confident	88 Å²	88	45 Å²	45	47%	0.471	28%	0.278	S	S	.	.	S	Bend	trans	-78.8	-0.4	-163.8	-58.2	11.1	0	0	0	115	F720 I733	F720-D731 VanDerWaalsContact CE2-OD2 3.29Å; F720-D731 WeakPolarHBondContact CE2-OD2 3.35Å; F720-D731 VanDerWaalsContact CZ-OD2 3.23Å; F720-D731 WeakPolarHBondContact CZ-OD2 3.39Å; D731-I733 PolarHBondContact O-N 2.94Å
732	G	55.5	Low	76.5	Confident	73 Å²	73	51.2 Å²	51.2	75%	0.753	31%	0.307	S	S	*	.			trans	69.6	-8.9	179.9	0	0	0	0	0	116.7	P730	P730-G732 VanDerWaalsContact C-N 3.28Å; P730-G732 PolarHBondContact O-N 2.96Å
733	I	61.5	Low	76.6	Confident	60 Å²	60	54.9 Å²	54.9	31%	0.308	32%	0.32	S	S	.	.			trans	-73.6	126.5	179.2	-60.1	176.4	0	0	0	110.7	E308 R729 D731	E308-I733 HydrophobicContact CG-CD1 4.48Å; E308-I733 HydrophobicContact CG-CG1 4.34Å; E308-I733 HydrophobicContact CG-CG2 3.84Å; E308-I733 WeakPolarHBondContact OE2-CG2 3.43Å; R729-I733 WeakPolarHBondContact CD-O 3.47Å; R729-I733 PolarHBondContact NE-O 2.91Å; R729-I733 PolarHBondContact NH1-O 2.94Å; D731-I733 PolarHBondContact O-N 2.94Å
734	G	66.2	Low	76.9	Confident	45 Å²	45	53.8 Å²	53.8	46%	0.464	31%	0.313	S	S	.	.			trans	-90.7	-13.2	-175.9	0	0	0	0	0	117.2
735	T	83.3	Confident	77.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.324	C	S	.	.			trans	-103.5	139.8	-163.8	79.1	0	0	0	0	114.5	M301 M304 E308 R687 R729	M301-T735 HydrophobicContact CB-CG2 3.99Å; M301-T735 WeakPolarHBondContact O-CG2 3.27Å; M304-T735 HydrophobicContact CB-CG2 3.73Å; E308-T735 PolarHBondContact OE2-OG1 2.9Å; R687-T735 PolarHBondContact NH2-O 3.12Å; R687-T735 VanDerWaalsContact NH2-O 3.1Å; R687-T735 PolarHBondContact NH2-OG1 3.25Å; R729-T735 PolarHBondContact NH1-O 3.39Å; R729-T735 PolarHBondContact NH2-O 2.9Å
736	V	86.4	Confident	77.6	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.03	35%	0.35	C	S	.	.			trans	-126.5	122.5	175.7	-175	0	0	0	0	109.3	F296 I297 H724 V725 K741	F296-V736 WeakPolarHBondContact CD1-O 3.47Å; I297-V736 HydrophobicContact CD1-CB 3.82Å; I297-V736 HydrophobicContact CD1-CG1 3.5Å; I297-V736 HydrophobicContact CG1-CB 4.31Å; I297-V736 HydrophobicContact CG1-CG1 4.22Å; I297-V736 PolarHBondContact N-O 3.02Å; H724-V736 WeakPolarHBondContact O-CG2 3.38Å; V725-V736 HydrophobicContact CG2-CG1 4.36Å; V736-K741 HydrophobicContact CG1-CB 4.43Å
737	S	86.9	Confident	78.2	Confident	11 Å²	11	60 Å²	60	8%	0.077	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-78.2	154.6	173.5	83.9	0	0	0	0	111.3	K295 E739 E740 K741	K295-S737 CarbonylContact O-C 3.55Å; K295-S737 VanDerWaalsContact O-CA 3.26Å; K295-S737 WeakPolarHBondContact O-CA 3.36Å; K295-S737 WeakPolarHBondContact O-CB 3.29Å; S737-E739 VanDerWaalsContact C-N 3.26Å; S737-E739 PolarHBondContact O-N 2.74Å; S737-E740 PolarHBondContact N-OE2 3.46Å; S737-E740 PolarHBondContact O-N 3.2Å; S737-E740 WeakPolarHBondContact OG-CB 3.44Å; S737-E740 VanDerWaalsContact OG-CG 3.24Å; S737-E740 WeakPolarHBondContact OG-CG 3.43Å; S737-E740 PolarHBondContact OG-N 3.44Å; S737-K741 PolarHBondContact O-N 3.01Å
738	V	87.5	Confident	79.3	Confident	42 Å²	42	59 Å²	59	26%	0.255	32%	0.322	S	S	.	.	H	α-helix	trans	-60.3	-41.2	174.8	176.8	0	0	0	0	110.2	K295 K741 E742	K295-V738 HydrophobicContact CB-CB 4.16Å; K295-V738 HydrophobicContact CB-CG2 3.91Å; K295-V738 PolarHBondContact O-N 3Å; V738-K741 PolarHBondContact O-N 2.89Å; V738-E742 HydrophobicContact CG1-CG 4.19Å; V738-E742 WeakPolarHBondContact CG1-OE1 3.47Å; V738-E742 WeakPolarHBondContact O-CG 3.48Å; V738-E742 PolarHBondContact O-N 3.06Å
739	E	87.4	Confident	80.8	Confident	107 Å²	107	61.7 Å²	61.7	50%	0.5	33%	0.331	S	S	.	.	H	α-helix	trans	-65.8	-38.1	178.3	179.9	174.1	-153.9	0	0	113.2	S737 K741 R743	S737-E739 VanDerWaalsContact C-N 3.26Å; S737-E739 PolarHBondContact O-N 2.74Å; E739-K741 VanDerWaalsContact C-N 3.29Å; E739-K741 PolarHBondContact O-N 2.82Å; E739-R743 WeakPolarHBondContact O-CB 3.31Å; E739-R743 VanDerWaalsContact O-CG 3.27Å; E739-R743 WeakPolarHBondContact O-CG 3.41Å; E739-R743 PolarHBondContact O-N 3.23Å; E739-R743 IonicContact OE1-CZ 2.82Å; E739-R743 IonicContact OE1-NE 3.73Å; E739-R743 IonicContact OE1-NH2 2.8Å; E739-R743 PolarHBondContact OE1-NH2 2.68Å
740	E	89.8	Confident	82.4	Confident	14 Å²	14	63 Å²	63	7%	0.065	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-37.7	172.7	-77.4	168.5	161.7	0	0	111.5	R687 L693 H724 S737 F744	R687-E740 IonicContact CZ-OE1 3.15Å; R687-E740 IonicContact NE-OE1 2.71Å; R687-E740 IonicContact NH1-OE1 3.51Å; R687-E740 PolarHBondContact NH1-OE1 3.44Å; R687-E740 IonicContact NH1-OE2 2.71Å; R687-E740 PolarHBondContact NH1-OE2 3.42Å; L693-E740 HydrophobicContact CD1-CB 4.4Å; H724-E740 IonicContact CD2-OE2 3.35Å; H724-E740 IonicContact CE1-OE1 3.18Å; H724-E740 IonicContact CE1-OE2 3.45Å; H724-E740 VanDerWaalsContact NE2-CD 3.34Å; H724-E740 IonicContact NE2-OE1 2.75Å; H724-E740 IonicContact NE2-OE2 3.51Å; H724-E740 PolarHBondContact NE2-OE2 3.09Å; S737-E740 PolarHBondContact N-OE2 3.46Å; S737-E740 PolarHBondContact O-N 3.2Å; S737-E740 WeakPolarHBondContact OG-CB 3.44Å; S737-E740 VanDerWaalsContact OG-CG 3.24Å; S737-E740 WeakPolarHBondContact OG-CG 3.43Å; S737-E740 PolarHBondContact OG-N 3.44Å; E740-F744 VanDerWaalsContact O-CB 3.27Å; E740-F744 WeakPolarHBondContact O-CB 3.45Å; E740-F744 PolarHBondContact O-N 2.9Å; E740-F744 VanDerWaalsContact O-N 3.11Å
741	K	88.8	Confident	84.5	Confident	84 Å²	84	57.4 Å²	57.4	37%	0.365	30%	0.3	S	S	.	.	H	α-helix	trans	-73.3	-47.1	176.8	178.2	166.6	179.7	169.2	0	112.3	I297 V725 V736 S737 V738 E739 R743 F744 E745	I297-K741 HydrophobicContact CD1-CB 4.13Å; I297-K741 HydrophobicContact CD1-CD 3.72Å; V725-K741 HydrophobicContact CG1-CB 4.25Å; V725-K741 HydrophobicContact CG1-CD 4.12Å; V725-K741 HydrophobicContact CG1-CG 3.99Å; V736-K741 HydrophobicContact CG1-CB 4.43Å; S737-K741 PolarHBondContact O-N 3.01Å; V738-K741 PolarHBondContact O-N 2.89Å; E739-K741 VanDerWaalsContact C-N 3.29Å; E739-K741 PolarHBondContact O-N 2.82Å; K741-R743 VanDerWaalsContact C-N 3.34Å; K741-R743 PolarHBondContact O-N 2.97Å; K741-F744 WeakPolarHBondContact O-CB 3.2Å; K741-F744 PolarHBondContact O-N 3.11Å; K741-E745 VanDerWaalsContact CE-OE1 3.3Å; K741-E745 WeakPolarHBondContact CE-OE1 3.27Å; K741-E745 HydrophobicContact CG-CG 4.39Å; K741-E745 IonicContact NZ-OE1 2.84Å; K741-E745 PolarHBondContact O-N 3Å
742	E	91.4	Very high	86.3	Confident	131 Å²	131	54.4 Å²	54.4	61%	0.612	29%	0.286	S	S	*	.	H	α-helix	trans	-57.7	-47.1	179.5	-74.3	170.4	165	0	0	110.9	V738 F744 E745 E746	V738-E742 HydrophobicContact CG1-CG 4.19Å; V738-E742 WeakPolarHBondContact CG1-OE1 3.47Å; V738-E742 WeakPolarHBondContact O-CG 3.48Å; V738-E742 PolarHBondContact O-N 3.06Å; E742-F744 VanDerWaalsContact C-N 3.33Å; E742-F744 PolarHBondContact O-N 3.19Å; E742-E745 PolarHBondContact O-N 2.99Å; E742-E746 PolarHBondContact O-N 3.23Å; E742-E746 VanDerWaalsContact O-N 3.13Å
743	R	91.3	Very high	88.2	Confident	81 Å²	81	54.7 Å²	54.7	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-65.1	-31.7	173.8	-67.1	178.1	-173.2	-177.9	6.5	113.4	H690 L693 E739 K741 I747	H690-R743 PolarHBondContact CE1-NH1 3.19Å; H690-R743 PolarHBondContact ND1-NH1 3.36Å; H690-R743 VanDerWaalsContact ND1-NH1 3.16Å; L693-R743 HydrophobicContact CD1-CB 4.35Å; E739-R743 WeakPolarHBondContact O-CB 3.31Å; E739-R743 VanDerWaalsContact O-CG 3.27Å; E739-R743 WeakPolarHBondContact O-CG 3.41Å; E739-R743 PolarHBondContact O-N 3.23Å; E739-R743 IonicContact OE1-CZ 2.82Å; E739-R743 IonicContact OE1-NE 3.73Å; E739-R743 IonicContact OE1-NH2 2.8Å; E739-R743 PolarHBondContact OE1-NH2 2.68Å; K741-R743 VanDerWaalsContact C-N 3.34Å; K741-R743 PolarHBondContact O-N 2.97Å; R743-I747 VanDerWaalsContact O-CB 3.31Å; R743-I747 WeakPolarHBondContact O-CB 3.47Å; R743-I747 VanDerWaalsContact O-CG1 3.28Å; R743-I747 WeakPolarHBondContact O-CG1 3.23Å; R743-I747 PolarHBondContact O-N 3.01Å
744	F	92.5	Very high	89.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.3	-44.1	177.1	173.7	-107.3	0	0	0	112	L693 F718 C721 A722 V725 E740 K741 E742 I747 K748	L693-F744 HydrophobicContact CD2-CB 3.92Å; L693-F744 HydrophobicContact CD2-CD2 4.11Å; F718-F744 AromaticContact CD2-CE2 3.98Å; F718-F744 HydrophobicContact CD2-CE2 3.98Å; F718-F744 AromaticContact CE2-CE2 3.52Å; F718-F744 HydrophobicContact CE2-CE2 3.52Å; F718-F744 AromaticContact CE2-CZ 3.78Å; F718-F744 HydrophobicContact CE2-CZ 3.78Å; F718-F744 AromaticContact CZ-CE2 3.99Å; F718-F744 HydrophobicContact CZ-CE2 3.99Å; F718-F744 AromaticContact CZ-CZ 3.8Å; F718-F744 HydrophobicContact CZ-CZ 3.8Å; C721-F744 HydrophobicContact CB-CD2 3.69Å; C721-F744 HydrophobicContact CB-CE2 3.85Å; A722-F744 HydrophobicContact CB-CE2 4.17Å; A722-F744 HydrophobicContact CB-CZ 3.77Å; V725-F744 HydrophobicContact CB-CD1 4.12Å; V725-F744 HydrophobicContact CB-CE1 4.46Å; V725-F744 HydrophobicContact CG1-CD1 4.03Å; V725-F744 HydrophobicContact CG2-CB 3.98Å; V725-F744 HydrophobicContact CG2-CD1 4.03Å; V725-F744 HydrophobicContact CG2-CG 3.95Å; E740-F744 VanDerWaalsContact O-CB 3.27Å; E740-F744 WeakPolarHBondContact O-CB 3.45Å; E740-F744 PolarHBondContact O-N 2.9Å; E740-F744 VanDerWaalsContact O-N 3.11Å; K741-F744 WeakPolarHBondContact O-CB 3.2Å; K741-F744 PolarHBondContact O-N 3.11Å; E742-F744 VanDerWaalsContact C-N 3.33Å; E742-F744 PolarHBondContact O-N 3.19Å; F744-I747 PolarHBondContact O-N 3.43Å; F744-K748 HydrophobicContact CE1-CD 4.42Å; F744-K748 VanDerWaalsContact O-CB 3.29Å; F744-K748 WeakPolarHBondContact O-CB 3.37Å; F744-K748 PolarHBondContact O-N 3.33Å
745	E	91.6	Very high	91	Very high	62 Å²	62	50.3 Å²	50.3	29%	0.29	24%	0.243	S	C	.	.	H	α-helix	trans	-68.1	-38.4	177.5	-53.3	-70.1	-173.9	0	0	111	K741 E742 I747 K748 E749	K741-E745 VanDerWaalsContact CE-OE1 3.3Å; K741-E745 WeakPolarHBondContact CE-OE1 3.27Å; K741-E745 HydrophobicContact CG-CG 4.39Å; K741-E745 IonicContact NZ-OE1 2.84Å; K741-E745 PolarHBondContact O-N 3Å; E742-E745 PolarHBondContact O-N 2.99Å; E745-I747 PolarHBondContact O-N 3.36Å; E745-K748 WeakPolarHBondContact O-CB 3.39Å; E745-K748 PolarHBondContact O-N 3.37Å; E745-K748 VanDerWaalsContact O-N 3.15Å; E745-K748 WeakPolarHBondContact OE2-CD 3.43Å; E745-E749 PolarHBondContact O-N 3.48Å
746	E	92.8	Very high	91.5	Very high	133 Å²	133	52.2 Å²	52.2	62%	0.621	25%	0.252	S	S	*	.	H	α-helix	trans	-57.7	-47.9	171.6	-177.2	-174	-176.3	0	0	111.8	E742 K748 E749 R750	E742-E746 PolarHBondContact O-N 3.23Å; E742-E746 VanDerWaalsContact O-N 3.13Å; E746-K748 VanDerWaalsContact C-N 3.3Å; E746-K748 PolarHBondContact O-N 2.84Å; E746-E749 PolarHBondContact O-N 3.42Å; E746-R750 WeakPolarHBondContact O-CB 3.44Å; E746-R750 PolarHBondContact O-N 2.92Å
747	I	93.8	Very high	91.8	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.062	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-35	175.6	-76.5	169.3	0	0	0	111.4	L693 L696 A697 M700 R743 F744 E745 L751	L693-I747 HydrophobicContact CB-CD1 4Å; L693-I747 HydrophobicContact CD2-CD1 3.88Å; L693-I747 VanDerWaalsContact O-CD1 3.24Å; L693-I747 WeakPolarHBondContact O-CD1 3.3Å; L696-I747 HydrophobicContact CB-CG2 3.99Å; L696-I747 HydrophobicContact CD1-CG2 4.03Å; A697-I747 HydrophobicContact CB-CD1 4.32Å; M700-I747 HydrophobicContact CE-CB 4.18Å; M700-I747 HydrophobicContact CE-CG1 3.97Å; M700-I747 HydrophobicContact CE-CG2 3.81Å; R743-I747 VanDerWaalsContact O-CB 3.31Å; R743-I747 WeakPolarHBondContact O-CB 3.47Å; R743-I747 VanDerWaalsContact O-CG1 3.28Å; R743-I747 WeakPolarHBondContact O-CG1 3.23Å; R743-I747 PolarHBondContact O-N 3.01Å; F744-I747 PolarHBondContact O-N 3.43Å; E745-I747 PolarHBondContact O-N 3.36Å; I747-L751 WeakPolarHBondContact O-CB 3.4Å; I747-L751 PolarHBondContact O-N 3.06Å
748	K	92.7	Very high	92	Very high	33 Å²	33	56 Å²	56	14%	0.143	27%	0.27	C	S	.	.	H	α-helix	trans	-66.1	-45.6	178	-172.6	-176.8	-174	178.9	0	111.8	F718 F744 E745 E746 S752 V785 M787	F718-K748 HydrophobicContact CE2-CB 4.22Å; F718-K748 HydrophobicContact CE2-CG 4.14Å; F718-K748 HydrophobicContact CZ-CG 4.11Å; F744-K748 HydrophobicContact CE1-CD 4.42Å; F744-K748 VanDerWaalsContact O-CB 3.29Å; F744-K748 WeakPolarHBondContact O-CB 3.37Å; F744-K748 PolarHBondContact O-N 3.33Å; E745-K748 WeakPolarHBondContact O-CB 3.39Å; E745-K748 PolarHBondContact O-N 3.37Å; E745-K748 VanDerWaalsContact O-N 3.15Å; E745-K748 WeakPolarHBondContact OE2-CD 3.43Å; E746-K748 VanDerWaalsContact C-N 3.3Å; E746-K748 PolarHBondContact O-N 2.84Å; K748-S752 WeakPolarHBondContact O-CB 3.46Å; K748-S752 PolarHBondContact O-N 3.43Å; K748-V785 WeakPolarHBondContact CE-O 3.25Å; K748-V785 HydrophobicContact CG-CG1 4.15Å; K748-M787 PolarHBondContact NZ-O 2.96Å
749	E	92.3	Very high	92.3	Very high	149 Å²	149	54 Å²	54	70%	0.696	26%	0.258	S	S	*	.	H	α-helix	trans	-67.2	-43.2	177	-68.9	-169.8	162.9	0	0	112	E745 E746 S752 S753	E745-E749 PolarHBondContact O-N 3.48Å; E746-E749 PolarHBondContact O-N 3.42Å; E749-S752 PolarHBondContact O-N 3.2Å; E749-S753 PolarHBondContact O-N 3.05Å; E749-S753 PolarHBondContact O-OG 2.84Å
750	R	94.4	Very high	92.6	Very high	76 Å²	76	49 Å²	49	29%	0.287	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-46	174.4	-174.8	175.3	175.7	-167	2.3	111.7	M700 E704 E746 S753 L754	M700-R750 HydrophobicContact CE-CB 4.3Å; M700-R750 HydrophobicContact CE-CG 4.13Å; M700-R750 HydrophobicContact SD-CB 4.32Å; M700-R750 HydrophobicContact SD-CG 4.05Å; E704-R750 IonicContact OE1-CZ 3.15Å; E704-R750 IonicContact OE1-NE 3.42Å; E704-R750 PolarHBondContact OE1-NE 3.44Å; E704-R750 IonicContact OE1-NH2 3.97Å; E704-R750 PolarHBondContact OE1-NH2 2.94Å; E704-R750 IonicContact OE2-CZ 2.64Å; E704-R750 IonicContact OE2-NE 3.46Å; E704-R750 PolarHBondContact OE2-NE 3.49Å; E704-R750 IonicContact OE2-NH2 3.82Å; E704-R750 PolarHBondContact OE2-NH2 2.89Å; E746-R750 WeakPolarHBondContact O-CB 3.44Å; E746-R750 PolarHBondContact O-N 2.92Å; R750-S753 WeakPolarHBondContact O-CB 3.39Å; R750-S753 PolarHBondContact O-N 3.19Å; R750-L754 PolarHBondContact O-N 3.18Å
751	L	94	Very high	92.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-43.4	177.8	-176.5	57.3	0	0	0	111.6	M700 L714 F718 I747 S753 L754 L755 L781 V785	M700-L751 HydrophobicContact CG-CD1 4.35Å; M700-L751 HydrophobicContact SD-CB 3.68Å; M700-L751 HydrophobicContact SD-CD1 4.06Å; M700-L751 HydrophobicContact SD-CG 4.41Å; L714-L751 HydrophobicContact CD1-CD1 4.48Å; F718-L751 HydrophobicContact CB-CD2 4.22Å; F718-L751 HydrophobicContact CD2-CD2 3.69Å; F718-L751 HydrophobicContact CE2-CD2 4.31Å; F718-L751 HydrophobicContact CG-CD2 4Å; I747-L751 WeakPolarHBondContact O-CB 3.4Å; I747-L751 PolarHBondContact O-N 3.06Å; L751-S753 VanDerWaalsContact C-N 3.25Å; L751-S753 PolarHBondContact O-N 3.44Å; L751-L754 PolarHBondContact O-N 3.01Å; L751-L755 HydrophobicContact CD1-CD1 4.12Å; L751-L755 HydrophobicContact CD1-CD2 4.47Å; L751-L755 HydrophobicContact CD1-CG 4.09Å; L751-L755 HydrophobicContact CG-CD1 3.88Å; L751-L755 HydrophobicContact CG-CG 4.33Å; L751-L755 WeakPolarHBondContact O-CB 3.33Å; L751-L755 WeakPolarHBondContact O-CG 3.46Å; L751-L755 PolarHBondContact O-N 2.84Å; L751-L781 HydrophobicContact CD2-CD2 4.49Å; L751-V785 HydrophobicContact CD2-CG2 3.67Å; L751-V785 HydrophobicContact CG-CG2 4.04Å
752	S	93.4	Very high	92.8	Very high	24 Å²	24	46.5 Å²	46.5	17%	0.168	23%	0.225	C	C	.	.	H	α-helix	trans	-58.7	-39.7	175.2	-167.1	0	0	0	0	111.8	K748 E749 L755 E756	K748-S752 WeakPolarHBondContact O-CB 3.46Å; K748-S752 PolarHBondContact O-N 3.43Å; E749-S752 PolarHBondContact O-N 3.2Å; S752-L755 PolarHBondContact O-N 3.05Å; S752-E756 PolarHBondContact O-N 3.13Å
753	S	93.4	Very high	92.6	Very high	80 Å²	80	40.9 Å²	40.9	56%	0.559	20%	0.198	S	C	*	.	H	α-helix	trans	-67.8	-41.2	177.5	-55.7	0	0	0	0	112.2	E749 R750 L751 N757	E749-S753 PolarHBondContact O-N 3.05Å; E749-S753 PolarHBondContact O-OG 2.84Å; R750-S753 WeakPolarHBondContact O-CB 3.39Å; R750-S753 PolarHBondContact O-N 3.19Å; L751-S753 VanDerWaalsContact C-N 3.25Å; L751-S753 PolarHBondContact O-N 3.44Å; S753-N757 WeakPolarHBondContact O-CB 3.48Å; S753-N757 PolarHBondContact O-N 3.42Å
754	L	93	Very high	92.4	Very high	11 Å²	11	39.6 Å²	39.6	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-42.4	174.9	179.5	60.8	0	0	0	111.8	M700 E704 R750 L751 N757 Q758	M700-L754 HydrophobicContact CB-CD2 4.11Å; M700-L754 HydrophobicContact CG-CD2 3.84Å; E704-L754 HydrophobicContact CG-CD1 4.06Å; R750-L754 PolarHBondContact O-N 3.18Å; L751-L754 PolarHBondContact O-N 3.01Å; L754-N757 WeakPolarHBondContact O-CB 3.28Å; L754-N757 PolarHBondContact O-N 3.4Å; L754-Q758 HydrophobicContact CD1-CG 4.39Å; L754-Q758 WeakPolarHBondContact O-CG 3.43Å; L754-Q758 PolarHBondContact O-N 3.22Å
755	L	93.9	Very high	92.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-68.8	-43.8	178.3	-64.6	167.5	0	0	0	112	L751 S752 N757 Q758 I759 T778 L781 L782 V785	L751-L755 HydrophobicContact CD1-CD1 4.12Å; L751-L755 HydrophobicContact CD1-CD2 4.47Å; L751-L755 HydrophobicContact CD1-CG 4.09Å; L751-L755 HydrophobicContact CG-CD1 3.88Å; L751-L755 HydrophobicContact CG-CG 4.33Å; L751-L755 WeakPolarHBondContact O-CB 3.33Å; L751-L755 WeakPolarHBondContact O-CG 3.46Å; L751-L755 PolarHBondContact O-N 2.84Å; S752-L755 PolarHBondContact O-N 3.05Å; L755-N757 PolarHBondContact O-N 3.45Å; L755-Q758 PolarHBondContact O-N 2.84Å; L755-I759 WeakPolarHBondContact O-CD1 3.47Å; L755-I759 VanDerWaalsContact O-CG1 3.31Å; L755-I759 WeakPolarHBondContact O-CG1 3.26Å; L755-I759 PolarHBondContact O-N 3.37Å; L755-T778 HydrophobicContact CD2-CG2 3.6Å; L755-L781 HydrophobicContact CD1-CB 4.47Å; L755-L781 HydrophobicContact CD1-CD2 4.37Å; L755-L781 HydrophobicContact CD1-CG 3.92Å; L755-L781 HydrophobicContact CD2-CD2 4.16Å; L755-L781 HydrophobicContact CD2-CG 4.37Å; L755-L782 HydrophobicContact CB-CD1 4.27Å; L755-L782 HydrophobicContact CD1-CB 4.36Å; L755-V785 HydrophobicContact CD1-CB 4.41Å; L755-V785 HydrophobicContact CD1-CG2 3.98Å
756	E	93.8	Very high	91.9	Very high	40 Å²	40	39 Å²	39	19%	0.187	20%	0.195	C	C	.	.	H	α-helix	trans	-54.3	-42.5	170.5	-87.1	-152.8	-146.6	0	0	110.5	S752 S760 V802 K805 K809	S752-E756 PolarHBondContact O-N 3.13Å; E756-S760 VanDerWaalsContact O-CB 3.29Å; E756-S760 WeakPolarHBondContact O-CB 3.39Å; E756-S760 PolarHBondContact O-N 3.11Å; E756-S760 PolarHBondContact O-OG 3.13Å; E756-V802 HydrophobicContact CG-CG1 4.01Å; E756-K805 IonicContact OE1-NZ 3.45Å; E756-K805 IonicContact OE2-NZ 3.82Å; E756-K809 IonicContact OE2-NZ 3.73Å; E756-K809 PolarHBondContact OE2-NZ 3.28Å
757	N	92.6	Very high	91.6	Very high	81 Å²	81	32.8 Å²	32.8	43%	0.433	17%	0.166	S	C	.	.	H	α-helix	trans	-68.3	-44.2	-180	-171.9	37	0	0	0	112.8	S753 L754 L755 S760 H761	S753-N757 WeakPolarHBondContact O-CB 3.48Å; S753-N757 PolarHBondContact O-N 3.42Å; L754-N757 WeakPolarHBondContact O-CB 3.28Å; L754-N757 PolarHBondContact O-N 3.4Å; L755-N757 PolarHBondContact O-N 3.45Å; N757-S760 PolarHBondContact O-N 3.22Å; N757-H761 WeakPolarHBondContact O-CB 3.38Å; N757-H761 PolarHBondContact O-N 3.05Å; N757-H761 PolarHBondContact O-ND1 2.82Å; N757-H761 VanDerWaalsContact O-ND1 3.09Å; N757-H761 PolarHBondContact OD1-CE1 2.91Å; N757-H761 PolarHBondContact OD1-ND1 2.95Å
758	Q	91.8	Very high	91.2	Very high	14 Å²	14	32.8 Å²	32.8	7%	0.065	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-39	177.4	-74.6	177.4	1.9	0	0	112.4	S703 L754 L755 H761 F762 C765 F766 T778	S703-Q758 PolarHBondContact OG-NE2 3.23Å; L754-Q758 HydrophobicContact CD1-CG 4.39Å; L754-Q758 WeakPolarHBondContact O-CG 3.43Å; L754-Q758 PolarHBondContact O-N 3.22Å; L755-Q758 PolarHBondContact O-N 2.84Å; Q758-H761 CarbonylContact O-C 3.55Å; Q758-H761 PolarHBondContact O-N 2.99Å; Q758-F762 WeakPolarHBondContact O-CA 3.48Å; Q758-F762 PolarHBondContact O-N 3.41Å; Q758-F762 VanDerWaalsContact O-N 3.13Å; Q758-C765 HydrophobicContact CB-CB 4.46Å; Q758-F766 HydrophobicContact CB-CE2 4.2Å; Q758-F766 HydrophobicContact CB-CZ 4.27Å; Q758-T778 HydrophobicContact CB-CG2 4.38Å
759	I	93.1	Very high	90.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-71.4	-40.8	175.6	-63.3	161.3	0	0	0	110.3	L755 H761 F762 T778 L779 L782 C806	L755-I759 WeakPolarHBondContact O-CD1 3.47Å; L755-I759 VanDerWaalsContact O-CG1 3.31Å; L755-I759 WeakPolarHBondContact O-CG1 3.26Å; L755-I759 PolarHBondContact O-N 3.37Å; I759-H761 PolarHBondContact O-N 3.23Å; I759-F762 WeakPolarHBondContact O-CD1 2.87Å; I759-F762 PolarHBondContact O-N 3.31Å; I759-T778 HydrophobicContact CD1-CG2 4.33Å; I759-T778 HydrophobicContact CG1-CG2 3.99Å; I759-L779 HydrophobicContact CD1-CD2 3.85Å; I759-L779 HydrophobicContact CG1-CD2 4.29Å; I759-L782 HydrophobicContact CD1-CB 4.42Å; I759-L782 HydrophobicContact CD1-CD2 3.62Å; I759-C806 HydrophobicContact CB-CB 4.09Å; I759-C806 HydrophobicContact CG2-CB 3.62Å
760	S	93.8	Very high	90.4	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-62.9	-23.4	175	-54.2	0	0	0	0	113	E756 N757 K809 A810	E756-S760 VanDerWaalsContact O-CB 3.29Å; E756-S760 WeakPolarHBondContact O-CB 3.39Å; E756-S760 PolarHBondContact O-N 3.11Å; E756-S760 PolarHBondContact O-OG 3.13Å; N757-S760 PolarHBondContact O-N 3.22Å; S760-K809 WeakPolarHBondContact OG-CD 3.43Å; S760-A810 WeakPolarHBondContact O-CA 3.27Å; S760-A810 VanDerWaalsContact O-CB 3.29Å; S760-A810 WeakPolarHBondContact O-CB 3.41Å
761	H	91.4	Very high	89.7	Confident	45 Å²	45	22.6 Å²	22.6	21%	0.208	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	29	179.4	-68.1	99.3	0	0	0	113	N757 Q758 I759 R763 Y764 C765	N757-H761 WeakPolarHBondContact O-CB 3.38Å; N757-H761 PolarHBondContact O-N 3.05Å; N757-H761 PolarHBondContact O-ND1 2.82Å; N757-H761 VanDerWaalsContact O-ND1 3.09Å; N757-H761 PolarHBondContact OD1-CE1 2.91Å; N757-H761 PolarHBondContact OD1-ND1 2.95Å; Q758-H761 CarbonylContact O-C 3.55Å; Q758-H761 PolarHBondContact O-N 2.99Å; I759-H761 PolarHBondContact O-N 3.23Å; H761-R763 VanDerWaalsContact C-N 3.28Å; H761-R763 PolarHBondContact O-N 3.47Å; H761-Y764 WeakPolarHBondContact O-CA 3.31Å; H761-Y764 PolarHBondContact O-N 2.74Å; H761-C765 PolarHBondContact O-N 3.44Å
762	F	91.4	Very high	89.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-52	-38.9	-167.9	70.7	-92.1	0	0	0	114.8	Q758 I759 Y764 F766 L775 L807 A810 H858 H872	Q758-F762 WeakPolarHBondContact O-CA 3.48Å; Q758-F762 PolarHBondContact O-N 3.41Å; Q758-F762 VanDerWaalsContact O-N 3.13Å; I759-F762 WeakPolarHBondContact O-CD1 2.87Å; I759-F762 PolarHBondContact O-N 3.31Å; F762-Y764 PolarHBondContact O-N 2.75Å; F762-F766 PolarHBondContact O-N 2.75Å; F762-L775 HydrophobicContact CB-CD1 4.13Å; F762-L775 HydrophobicContact CB-CD2 4.13Å; F762-L775 HydrophobicContact CD2-CD2 4.44Å; F762-L807 HydrophobicContact CD1-CD2 4.37Å; F762-L807 HydrophobicContact CE1-CD2 4.08Å; F762-A810 HydrophobicContact CD1-CB 3.99Å; F762-A810 HydrophobicContact CE1-CB 3.79Å; F762-H858 HydrophobicContact CD2-CB 4.31Å; F762-H858 AromaticContact CD2-CD2 3.7Å; F762-H858 AromaticContact CD2-CE1 3.8Å; F762-H858 AromaticContact CD2-CG 3.69Å; F762-H858 AromaticContact CD2-ND1 3.77Å; F762-H858 AromaticContact CD2-NE2 3.77Å; F762-H858 HydrophobicContact CE2-CB 4.2Å; F762-H858 AromaticContact CE2-CD2 3.59Å; F762-H858 AromaticContact CE2-CG 3.81Å; F762-H872 AromaticContact CE1-NE2 3.99Å
763	R	88.6	Confident	88.6	Confident	13 Å²	13	28.4 Å²	28.4	5%	0.049	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-16.9	177.1	-58.2	-175.4	88.6	-143.3	5.8	114.5	R158 H761 N814 V850 N854	R158-R763 WeakPolarHBondContact CD-O 3.4Å; H761-R763 VanDerWaalsContact C-N 3.28Å; H761-R763 PolarHBondContact O-N 3.47Å; R763-N814 VanDerWaalsContact CD-CG 3.45Å; R763-N814 WeakPolarHBondContact CD-OD1 3.47Å; R763-V850 PolarHBondContact NH2-O 3.29Å; R763-N854 WeakPolarHBondContact CD-OD1 3.25Å; R763-N854 WeakPolarHBondContact CG-OD1 3.47Å; R763-N854 PolarHBondContact NE-OD1 2.94Å
764	Y	86.2	Confident	88.3	Confident	55 Å²	55	24.8 Å²	24.8	22%	0.216	14%	0.138	C	C	.	.	H	α-helix	trans	-110.4	-32.9	-178.2	-62.4	-80.5	0	0	0	112.7	R158 H761 F762 R817	R158-Y764 HydrophobicContact CG-CD1 3.96Å; R158-Y764 HydrophobicContact CG-CE1 3.96Å; H761-Y764 WeakPolarHBondContact O-CA 3.31Å; H761-Y764 PolarHBondContact O-N 2.74Å; F762-Y764 PolarHBondContact O-N 2.75Å; Y764-R817 VanDerWaalsContact CE2-NH1 3.26Å; Y764-R817 WeakPolarHBondContact OH-CD 3.41Å
765	C	86.3	Confident	88.2	Confident	40 Å²	40	24.7 Å²	24.7	27%	0.27	14%	0.137	S	C	.	.	H	α-helix	trans	-78.7	-30.3	174.1	-65.7	0	0	0	0	112.8	Q758 H761	Q758-C765 HydrophobicContact CB-CB 4.46Å; H761-C765 PolarHBondContact O-N 3.44Å
766	F	88.1	Confident	88	Confident	8 Å²	8	28.7 Å²	28.7	4%	0.035	15%	0.154	C	C	.	.	S	Bend	trans	-130	52.3	-178.6	-48.7	-70.5	0	0	0	112	P711 Q758 F762 F768 G769 R770 A774 L775 T778 H858	P711-F766 HydrophobicContact CG-CE1 4.27Å; Q758-F766 HydrophobicContact CB-CE2 4.2Å; Q758-F766 HydrophobicContact CB-CZ 4.27Å; F762-F766 PolarHBondContact O-N 2.75Å; F766-F768 PolarHBondContact O-N 2.88Å; F766-G769 WeakPolarHBondContact O-CA 3.49Å; F766-G769 PolarHBondContact O-N 2.92Å; F766-R770 CarbonylContact C-O 3.55Å; F766-R770 VanDerWaalsContact C-O 3.32Å; F766-R770 VanDerWaalsContact CA-O 3.23Å; F766-R770 WeakPolarHBondContact CA-O 3.45Å; F766-A774 HydrophobicContact CD1-CB 3.63Å; F766-A774 HydrophobicContact CE1-CB 3.77Å; F766-L775 HydrophobicContact CD2-CB 3.95Å; F766-L775 HydrophobicContact CD2-CD1 3.83Å; F766-L775 HydrophobicContact CD2-CG 4.37Å; F766-L775 HydrophobicContact CE2-CB 4.38Å; F766-L775 HydrophobicContact CE2-CD1 3.83Å; F766-L775 HydrophobicContact CG-CB 4.19Å; F766-T778 HydrophobicContact CE2-CG2 4.47Å; F766-T778 HydrophobicContact CZ-CG2 4.24Å; F766-T778 VanDerWaalsContact CZ-OG1 3.26Å; F766-T778 WeakPolarHBondContact CZ-OG1 3.43Å; F766-H858 PolarHBondContact O-CE1 3.13Å; F766-H858 VanDerWaalsContact O-CE1 3.23Å
767	P	86.5	Confident	87.9	Confident	4 Å²	4	27.9 Å²	27.9	3%	0.026	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-60.6	133.1	-166.2	28.4	-35.8	0	0	0	112	R158 M162 G769 R770	R158-P767 HydrophobicContact CB-CB 3.84Å; M162-P767 HydrophobicContact CB-CG 4.05Å; M162-P767 HydrophobicContact CG-CG 4.28Å; M162-P767 HydrophobicContact SD-CG 3.76Å; P767-G769 PolarHBondContact O-N 3.18Å; P767-R770 PolarHBondContact O-N 3.23Å
768	F	85.5	Confident	87.8	Confident	11 Å²	11	24 Å²	24	5%	0.048	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	56.2	28.5	-174.4	-52.5	-92.4	0	0	0	113.9	V152 F153 R158 V159 V176 F766 R770 H857	V152-F768 HydrophobicContact CG1-CE1 4.45Å; V152-F768 WeakPolarHBondContact O-CZ 3.46Å; F153-F768 HydrophobicContact CB-CE1 4.49Å; F153-F768 HydrophobicContact CB-CZ 4.4Å; F153-F768 HydrophobicContact CD2-CB 4.41Å; F153-F768 AromaticContact CD2-CD1 3.89Å; F153-F768 HydrophobicContact CD2-CD1 3.89Å; F153-F768 AromaticContact CD2-CD2 3.49Å; F153-F768 HydrophobicContact CD2-CD2 3.49Å; F153-F768 VanDerWaalsContact CD2-CD2 3.49Å; F153-F768 AromaticContact CD2-CE1 3.97Å; F153-F768 HydrophobicContact CD2-CE1 3.97Å; F153-F768 AromaticContact CD2-CE2 3.59Å; F153-F768 HydrophobicContact CD2-CE2 3.59Å; F153-F768 AromaticContact CD2-CG 3.66Å; F153-F768 HydrophobicContact CD2-CG 3.66Å; F153-F768 AromaticContact CD2-CZ 3.81Å; F153-F768 HydrophobicContact CD2-CZ 3.81Å; F153-F768 HydrophobicContact CE2-CB 4.22Å; F153-F768 AromaticContact CE2-CD2 3.6Å; F153-F768 HydrophobicContact CE2-CD2 3.6Å; F153-F768 HydrophobicContact CE2-CE2 4.08Å; F153-F768 AromaticContact CE2-CG 3.87Å; F153-F768 HydrophobicContact CE2-CG 3.87Å; R158-F768 HydrophobicContact CB-CE2 4.39Å; R158-F768 VanDerWaalsContact NH2-CZ 3.29Å; V159-F768 HydrophobicContact CG2-CD2 4.06Å; V159-F768 HydrophobicContact CG2-CE2 3.66Å; V176-F768 HydrophobicContact CG1-CB 4.33Å; V176-F768 HydrophobicContact CG2-CB 4.19Å; F766-F768 PolarHBondContact O-N 2.88Å; F768-R770 VanDerWaalsContact C-N 3.34Å; F768-H857 AromaticContact CD1-CD2 3.8Å; F768-H857 AromaticContact CD1-NE2 3.53Å
769	G	82.4	Confident	87.8	Confident	18 Å²	18	24.1 Å²	24.1	19%	0.186	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	73	23.1	179.9	0	0	0	0	0	113.9	F766 P767 P771 H857	F766-G769 WeakPolarHBondContact O-CA 3.49Å; F766-G769 PolarHBondContact O-N 2.92Å; P767-G769 PolarHBondContact O-N 3.18Å; G769-P771 CarbonylContact O-C 3.59Å; G769-H857 WeakPolarHBondContact CA-O 3.34Å
770	R	84.3	Confident	87.7	Confident	9 Å²	9	26.7 Å²	26.7	3%	0.034	15%	0.153	C	C	.	.			trans	-111.9	137.7	-178	-62	-70.6	167.8	-166	-18.4	111.5	M162 D172 V176 F766 P767 F768 E772	M162-R770 HydrophobicContact SD-CB 4.02Å; D172-R770 HydrophobicContact CB-CG 4.46Å; D172-R770 WeakPolarHBondContact OD1-CD 3.43Å; D172-R770 IonicContact OD1-NH1 2.84Å; V176-R770 HydrophobicContact CG2-CG 3.91Å; F766-R770 CarbonylContact C-O 3.55Å; F766-R770 VanDerWaalsContact C-O 3.32Å; F766-R770 VanDerWaalsContact CA-O 3.23Å; F766-R770 WeakPolarHBondContact CA-O 3.45Å; P767-R770 PolarHBondContact O-N 3.23Å; F768-R770 VanDerWaalsContact C-N 3.34Å; R770-E772 IonicContact CZ-OE2 2.81Å; R770-E772 VanDerWaalsContact CZ-OE2 3.24Å; R770-E772 IonicContact NH1-OE2 2.7Å; R770-E772 PolarHBondContact NH1-OE2 3.31Å; R770-E772 IonicContact NH2-OE1 2.89Å; R770-E772 IonicContact NH2-OE2 3.23Å; R770-E772 PolarHBondContact NH2-OE2 2.88Å
771	P	81.1	Confident	87.6	Confident	17 Å²	17	26.5 Å²	26.5	11%	0.11	15%	0.152	C	C	.	.	S	Bend	cis	-63.3	151.1	-5.8	-20.2	33.4	0	0	0	113.1	L666 V708 G769 G773 A774	L666-P771 HydrophobicContact CD1-CB 4.07Å; L666-P771 HydrophobicContact CD1-CG 3.91Å; L666-P771 HydrophobicContact CD2-CG 4.31Å; V708-P771 HydrophobicContact CG1-CG 3.83Å; G769-P771 CarbonylContact O-C 3.59Å; P771-G773 PolarHBondContact O-N 3.36Å; P771-A774 HydrophobicContact CB-CB 4.25Å; P771-A774 WeakPolarHBondContact O-CB 3.49Å; P771-A774 PolarHBondContact O-N 3.03Å; P771-A774 VanDerWaalsContact O-N 3.12Å
772	E	80.1	Confident	87.6	Confident	108 Å²	108	24.4 Å²	24.4	51%	0.505	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	133.8	-171.4	-166	144.9	-158	0	0	111.7	K179 R770 A774	K179-E772 IonicContact NZ-OE1 3.27Å; K179-E772 PolarHBondContact NZ-OE1 3.32Å; R770-E772 IonicContact CZ-OE2 2.81Å; R770-E772 VanDerWaalsContact CZ-OE2 3.24Å; R770-E772 IonicContact NH1-OE2 2.7Å; R770-E772 PolarHBondContact NH1-OE2 3.31Å; R770-E772 IonicContact NH2-OE1 2.89Å; R770-E772 IonicContact NH2-OE2 3.23Å; R770-E772 PolarHBondContact NH2-OE2 2.88Å; E772-A774 PolarHBondContact O-N 3.43Å; E772-A774 VanDerWaalsContact O-N 3.15Å
773	G	83.5	Confident	87.5	Confident	38 Å²	38	28.2 Å²	28.2	39%	0.392	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	-6.8	-174.9	0	0	0	0	0	115.7	P771 L775 K776 A777	P771-G773 PolarHBondContact O-N 3.36Å; G773-L775 PolarHBondContact O-N 3.18Å; G773-K776 WeakPolarHBondContact O-CB 3.26Å; G773-K776 PolarHBondContact O-N 3.14Å; G773-A777 PolarHBondContact O-N 3.4Å
774	A	87	Confident	87.5	Confident	5 Å²	5	30.6 Å²	30.6	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-57.1	-46.7	-173.5	0	0	0	0	0	112.9	P711 F766 P771 E772 K776 A777 T778	P711-A774 HydrophobicContact CG-CB 4.11Å; F766-A774 HydrophobicContact CD1-CB 3.63Å; F766-A774 HydrophobicContact CE1-CB 3.77Å; P771-A774 HydrophobicContact CB-CB 4.25Å; P771-A774 WeakPolarHBondContact O-CB 3.49Å; P771-A774 PolarHBondContact O-N 3.03Å; P771-A774 VanDerWaalsContact O-N 3.12Å; E772-A774 PolarHBondContact O-N 3.43Å; E772-A774 VanDerWaalsContact O-N 3.15Å; A774-K776 VanDerWaalsContact C-N 3.27Å; A774-K776 PolarHBondContact O-N 3.01Å; A774-A777 CarbonylContact O-C 3.59Å; A774-A777 WeakPolarHBondContact O-CB 3.02Å; A774-A777 PolarHBondContact O-N 3.31Å; A774-A777 VanDerWaalsContact O-N 3.14Å; A774-T778 PolarHBondContact O-N 3.12Å; A774-T778 PolarHBondContact O-OG1 3.04Å
775	L	90.4	Very high	87.7	Confident	8 Å²	8	28.1 Å²	28.1	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-35.3	177.5	-179.8	58.5	0	0	0	113	F762 F766 G773 T778 L779 H858 A861 F862	F762-L775 HydrophobicContact CB-CD1 4.13Å; F762-L775 HydrophobicContact CB-CD2 4.13Å; F762-L775 HydrophobicContact CD2-CD2 4.44Å; F766-L775 HydrophobicContact CD2-CB 3.95Å; F766-L775 HydrophobicContact CD2-CD1 3.83Å; F766-L775 HydrophobicContact CD2-CG 4.37Å; F766-L775 HydrophobicContact CE2-CB 4.38Å; F766-L775 HydrophobicContact CE2-CD1 3.83Å; F766-L775 HydrophobicContact CG-CB 4.19Å; G773-L775 PolarHBondContact O-N 3.18Å; L775-T778 WeakPolarHBondContact O-CB 3.43Å; L775-T778 PolarHBondContact O-N 3.27Å; L775-L779 WeakPolarHBondContact O-CG 3.46Å; L775-L779 PolarHBondContact O-N 3.5Å; L775-H858 HydrophobicContact CD2-CB 4.16Å; L775-H858 WeakPolarHBondContact CD2-ND1 3.31Å; L775-A861 HydrophobicContact CB-CB 4.15Å; L775-A861 HydrophobicContact CD2-CB 3.95Å; L775-A861 HydrophobicContact CG-CB 3.86Å; L775-F862 HydrophobicContact CD2-CE2 3.84Å; L775-F862 HydrophobicContact CD2-CZ 4.28Å
776	K	90.8	Very high	87.7	Confident	86 Å²	86	28.4 Å²	28.4	37%	0.374	16%	0.158	S	C	.	.	H	α-helix	trans	-69.6	-40.5	176.9	-169.3	177.7	-173.2	173.2	0	111	G773 A774 L779 S780 E860 A861	G773-K776 WeakPolarHBondContact O-CB 3.26Å; G773-K776 PolarHBondContact O-N 3.14Å; A774-K776 VanDerWaalsContact C-N 3.27Å; A774-K776 PolarHBondContact O-N 3.01Å; K776-L779 PolarHBondContact O-N 2.98Å; K776-S780 PolarHBondContact O-N 2.91Å; K776-S780 VanDerWaalsContact O-N 3.09Å; K776-E860 IonicContact NZ-OE1 3.89Å; K776-E860 PolarHBondContact NZ-OE1 3.08Å; K776-A861 HydrophobicContact CB-CB 4.15Å
777	A	90.2	Very high	87.5	Confident	23 Å²	23	29.2 Å²	29.2	19%	0.19	16%	0.162	C	C	.	.	H	α-helix	trans	-66.3	-36.6	171.5	0	0	0	0	0	112.3	P711 G773 A774 S780 L781	P711-A777 HydrophobicContact CB-CB 3.96Å; G773-A777 PolarHBondContact O-N 3.4Å; A774-A777 CarbonylContact O-C 3.59Å; A774-A777 WeakPolarHBondContact O-CB 3.02Å; A774-A777 PolarHBondContact O-N 3.31Å; A774-A777 VanDerWaalsContact O-N 3.14Å; A777-S780 PolarHBondContact O-N 3.02Å; A777-L781 VanDerWaalsContact O-CB 3.31Å; A777-L781 WeakPolarHBondContact O-CB 3.23Å; A777-L781 PolarHBondContact O-N 3.09Å
778	T	92.3	Very high	87	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-43.2	173.1	-55.4	0	0	0	0	111.9	P711 L755 Q758 I759 F766 A774 L775 L781 L782	P711-T778 VanDerWaalsContact CG-OG1 3.27Å; P711-T778 WeakPolarHBondContact CG-OG1 3.47Å; L755-T778 HydrophobicContact CD2-CG2 3.6Å; Q758-T778 HydrophobicContact CB-CG2 4.38Å; I759-T778 HydrophobicContact CD1-CG2 4.33Å; I759-T778 HydrophobicContact CG1-CG2 3.99Å; F766-T778 HydrophobicContact CE2-CG2 4.47Å; F766-T778 HydrophobicContact CZ-CG2 4.24Å; F766-T778 VanDerWaalsContact CZ-OG1 3.26Å; F766-T778 WeakPolarHBondContact CZ-OG1 3.43Å; A774-T778 PolarHBondContact O-N 3.12Å; A774-T778 PolarHBondContact O-OG1 3.04Å; L775-T778 WeakPolarHBondContact O-CB 3.43Å; L775-T778 PolarHBondContact O-N 3.27Å; T778-L781 PolarHBondContact O-N 3.48Å; T778-L782 PolarHBondContact O-N 3.3Å
779	L	91.3	Very high	86.1	Confident	15 Å²	15	39 Å²	39	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-65.8	-44.1	176.3	-70.5	166.4	0	0	0	112.1	I759 L775 K776 L781 L782 E783 V803 A861 F862	I759-L779 HydrophobicContact CD1-CD2 3.85Å; I759-L779 HydrophobicContact CG1-CD2 4.29Å; L775-L779 WeakPolarHBondContact O-CG 3.46Å; L775-L779 PolarHBondContact O-N 3.5Å; K776-L779 PolarHBondContact O-N 2.98Å; L779-L781 VanDerWaalsContact C-N 3.32Å; L779-L781 PolarHBondContact O-N 3.47Å; L779-L782 WeakPolarHBondContact O-CB 3.48Å; L779-L782 PolarHBondContact O-N 2.9Å; L779-E783 PolarHBondContact O-N 3.21Å; L779-V803 HydrophobicContact CD2-CG1 3.95Å; L779-V803 HydrophobicContact CD2-CG2 3.72Å; L779-A861 HydrophobicContact CD1-CB 4.34Å; L779-A861 WeakPolarHBondContact CD1-O 3.24Å; L779-F862 HydrophobicContact CD1-CD1 4.09Å; L779-F862 HydrophobicContact CD1-CE1 3.84Å; L779-F862 HydrophobicContact CD1-CZ 4.28Å; L779-F862 HydrophobicContact CD2-CE1 4.26Å
780	S	90.5	Very high	85.5	Confident	54 Å²	54	40.2 Å²	40.2	38%	0.378	21%	0.208	S	C	.	.	H	α-helix	trans	-66.3	-33	175.6	-174.8	0	0	0	0	112.7	K776 A777 R784	K776-S780 PolarHBondContact O-N 2.91Å; K776-S780 VanDerWaalsContact O-N 3.09Å; A777-S780 PolarHBondContact O-N 3.02Å; S780-R784 PolarHBondContact O-N 3.16Å; S780-R784 VanDerWaalsContact O-N 3.13Å
781	L	91.7	Very high	84.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-69.2	-39.1	171.6	-176.8	51.9	0	0	0	112.2	L714 H715 F718 L751 L755 A777 T778 L779 R784 V785	L714-L781 HydrophobicContact CB-CD2 3.61Å; H715-L781 HydrophobicContact CB-CB 4.38Å; H715-L781 HydrophobicContact CB-CD1 3.92Å; H715-L781 HydrophobicContact CB-CD2 4.3Å; H715-L781 HydrophobicContact CB-CG 4.42Å; F718-L781 HydrophobicContact CB-CD1 4.22Å; F718-L781 HydrophobicContact CD1-CD1 4.14Å; F718-L781 HydrophobicContact CG-CD1 4.37Å; L751-L781 HydrophobicContact CD2-CD2 4.49Å; L755-L781 HydrophobicContact CD1-CB 4.47Å; L755-L781 HydrophobicContact CD1-CD2 4.37Å; L755-L781 HydrophobicContact CD1-CG 3.92Å; L755-L781 HydrophobicContact CD2-CD2 4.16Å; L755-L781 HydrophobicContact CD2-CG 4.37Å; A777-L781 VanDerWaalsContact O-CB 3.31Å; A777-L781 WeakPolarHBondContact O-CB 3.23Å; A777-L781 PolarHBondContact O-N 3.09Å; T778-L781 PolarHBondContact O-N 3.48Å; L779-L781 VanDerWaalsContact C-N 3.32Å; L779-L781 PolarHBondContact O-N 3.47Å; L781-R784 PolarHBondContact O-N 3.1Å; L781-V785 HydrophobicContact CD1-CG2 3.98Å; L781-V785 HydrophobicContact CG-CG2 4.28Å; L781-V785 WeakPolarHBondContact O-CB 3.3Å; L781-V785 VanDerWaalsContact O-CG2 3.27Å; L781-V785 WeakPolarHBondContact O-CG2 3.38Å; L781-V785 PolarHBondContact O-N 3.04Å
782	L	91.8	Very high	84	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-46.6	174	178.2	65.4	0	0	0	111.3	L755 I759 T778 L779 R784 V785 L786 V802 V803	L755-L782 HydrophobicContact CB-CD1 4.27Å; L755-L782 HydrophobicContact CD1-CB 4.36Å; I759-L782 HydrophobicContact CD1-CB 4.42Å; I759-L782 HydrophobicContact CD1-CD2 3.62Å; T778-L782 PolarHBondContact O-N 3.3Å; L779-L782 WeakPolarHBondContact O-CB 3.48Å; L779-L782 PolarHBondContact O-N 2.9Å; L782-R784 VanDerWaalsContact C-N 3.31Å; L782-R784 PolarHBondContact O-N 3.44Å; L782-V785 PolarHBondContact O-N 3.37Å; L782-L786 HydrophobicContact CD1-CD1 4Å; L782-L786 HydrophobicContact CD1-CG 4.08Å; L782-L786 HydrophobicContact CG-CD1 3.9Å; L782-L786 HydrophobicContact CG-CG 4.4Å; L782-L786 VanDerWaalsContact O-CG 3.27Å; L782-L786 WeakPolarHBondContact O-CG 3.26Å; L782-L786 PolarHBondContact O-N 3.01Å; L782-V802 HydrophobicContact CD1-CG1 4.49Å; L782-V802 HydrophobicContact CD2-CG1 3.98Å; L782-V803 HydrophobicContact CD2-CG2 3.98Å
783	E	89.1	Confident	83.6	Confident	81 Å²	81	45.9 Å²	45.9	38%	0.379	26%	0.261	S	S	.	.	H	α-helix	trans	-51.3	-50.8	172.4	174.2	-179.9	-163.9	0	0	111.1	L779 V785 L786 M787 I794 V799	L779-E783 PolarHBondContact O-N 3.21Å; E783-V785 PolarHBondContact O-N 2.81Å; E783-L786 PolarHBondContact O-N 3.04Å; E783-M787 WeakPolarHBondContact O-CG 3.27Å; E783-M787 PolarHBondContact O-N 3.35Å; E783-I794 HydrophobicContact CG-CG2 3.99Å; E783-V799 HydrophobicContact CB-CG1 4.27Å; E783-V799 HydrophobicContact CB-CG2 4.2Å; E783-V799 HydrophobicContact CG-CG2 4.18Å
784	R	88	Confident	83.5	Confident	63 Å²	63	45.2 Å²	45.2	24%	0.238	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-31.3	-179	-166.7	169.9	-175.1	80	2.2	114	H715 F718 S780 L781 L782 M787	H715-R784 VanDerWaalsContact NE2-CD 3.27Å; H715-R784 WeakPolarHBondContact NE2-CD 3.15Å; F718-R784 HydrophobicContact CD1-CG 4.42Å; F718-R784 HydrophobicContact CE1-CG 4.37Å; S780-R784 PolarHBondContact O-N 3.16Å; S780-R784 VanDerWaalsContact O-N 3.13Å; L781-R784 PolarHBondContact O-N 3.1Å; L782-R784 VanDerWaalsContact C-N 3.31Å; L782-R784 PolarHBondContact O-N 3.44Å; R784-M787 HydrophobicContact CG-SD 4.26Å
785	V	89.9	Confident	83.3	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-71.7	-35.3	175.5	166.8	0	0	0	0	111.5	F718 K748 L751 L755 L781 L782 E783 M787	F718-V785 HydrophobicContact CD1-CG2 3.98Å; F718-V785 HydrophobicContact CD2-CG2 4.34Å; F718-V785 HydrophobicContact CE1-CB 4.35Å; F718-V785 HydrophobicContact CE1-CG2 3.72Å; F718-V785 HydrophobicContact CE2-CG2 4.09Å; F718-V785 HydrophobicContact CG-CG2 4.29Å; F718-V785 HydrophobicContact CZ-CB 4.29Å; F718-V785 HydrophobicContact CZ-CG2 3.78Å; K748-V785 WeakPolarHBondContact CE-O 3.25Å; K748-V785 HydrophobicContact CG-CG1 4.15Å; L751-V785 HydrophobicContact CD2-CG2 3.67Å; L751-V785 HydrophobicContact CG-CG2 4.04Å; L755-V785 HydrophobicContact CD1-CB 4.41Å; L755-V785 HydrophobicContact CD1-CG2 3.98Å; L781-V785 HydrophobicContact CD1-CG2 3.98Å; L781-V785 HydrophobicContact CG-CG2 4.28Å; L781-V785 WeakPolarHBondContact O-CB 3.3Å; L781-V785 VanDerWaalsContact O-CG2 3.27Å; L781-V785 WeakPolarHBondContact O-CG2 3.38Å; L781-V785 PolarHBondContact O-N 3.04Å; L782-V785 PolarHBondContact O-N 3.37Å; E783-V785 PolarHBondContact O-N 2.81Å; V785-M787 VanDerWaalsContact C-N 3.26Å; V785-M787 PolarHBondContact O-N 3.29Å
786	L	87.3	Confident	83	Confident	45 Å²	45	50.8 Å²	50.8	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-74.1	-13.4	177.9	-66.1	170	0	0	0	113.4	L782 E783 I794 V799 V802	L782-L786 HydrophobicContact CD1-CD1 4Å; L782-L786 HydrophobicContact CD1-CG 4.08Å; L782-L786 HydrophobicContact CG-CD1 3.9Å; L782-L786 HydrophobicContact CG-CG 4.4Å; L782-L786 VanDerWaalsContact O-CG 3.27Å; L782-L786 WeakPolarHBondContact O-CG 3.26Å; L782-L786 PolarHBondContact O-N 3.01Å; E783-L786 PolarHBondContact O-N 3.04Å; L786-I794 HydrophobicContact CB-CD1 3.52Å; L786-I794 HydrophobicContact CD1-CD1 4.45Å; L786-V799 HydrophobicContact CD1-CG1 4.48Å; L786-V799 HydrophobicContact CD1-CG2 4.26Å; L786-V802 HydrophobicContact CD1-CB 4.37Å; L786-V802 HydrophobicContact CD1-CG2 4.04Å
787	M	84.6	Confident	82.8	Confident	26 Å²	26	52 Å²	52	13%	0.128	30%	0.296	C	S	.	.			trans	-61.7	139.9	175.8	-64.9	177.9	68.3	0	0	112.4	K748 E783 R784 V785 D789 I794	K748-M787 PolarHBondContact NZ-O 2.96Å; E783-M787 WeakPolarHBondContact O-CG 3.27Å; E783-M787 PolarHBondContact O-N 3.35Å; R784-M787 HydrophobicContact CG-SD 4.26Å; V785-M787 VanDerWaalsContact C-N 3.26Å; V785-M787 PolarHBondContact O-N 3.29Å; M787-D789 WeakPolarHBondContact CE-O 3.49Å; M787-I794 HydrophobicContact CG-CG2 4.25Å
788	K	74.6	Confident	82.7	Confident	167 Å²	167	55.5 Å²	55.5	73%	0.726	31%	0.308	S	S	*	.	S	Bend	trans	-84.7	-34.6	178.6	-66.6	177.2	-174.7	164.9	0	112.7
789	D	68.4	Low	82.5	Confident	54 Å²	54	55.5 Å²	55.5	29%	0.289	31%	0.308	S	S	.	.	S	Bend	trans	-145.8	-178.3	173	70.6	76.3	0	0	0	108.7	M787 A791 T792	M787-D789 WeakPolarHBondContact CE-O 3.49Å; D789-A791 WeakPolarHBondContact OD1-CA 3.07Å; D789-A791 PolarHBondContact OD1-N 3.15Å; D789-T792 PolarHBondContact OD1-N 2.84Å; D789-T792 PolarHBondContact OD1-OG1 3.49Å; D789-T792 VanDerWaalsContact OD2-CB 3.28Å; D789-T792 WeakPolarHBondContact OD2-CB 3.27Å; D789-T792 PolarHBondContact OD2-OG1 3.22Å
790	I	68.1	Low	82.4	Confident	42 Å²	42	55.9 Å²	55.9	22%	0.215	31%	0.309	C	S	.	.	S	Bend	trans	-88.9	-23.1	-177	-78.3	171.9	0	0	0	114.2	A722 S723 H726 N728	A722-I790 VanDerWaalsContact C-CD1 3.48Å; A722-I790 HydrophobicContact CB-CD1 4.11Å; A722-I790 WeakPolarHBondContact O-CD1 3.45Å; S723-I790 VanDerWaalsContact CA-CD1 3.41Å; H726-I790 HydrophobicContact CB-CD1 4.19Å; H726-I790 HydrophobicContact CB-CG1 4.38Å; N728-I790 HydrophobicContact CB-CG2 4.35Å
791	A	62.4	Low	82.5	Confident	78 Å²	78	60.5 Å²	60.5	65%	0.645	32%	0.323	S	S	*	.	S	Bend	trans	-85.6	-27.7	-177.1	0	0	0	0	0	112.4	D789 P793	D789-A791 WeakPolarHBondContact OD1-CA 3.07Å; D789-A791 PolarHBondContact OD1-N 3.15Å; A791-P793 WeakPolarHBondContact O-CD 3.28Å
792	T	71.6	Confident	82.5	Confident	82 Å²	82	61.8 Å²	61.8	50%	0.503	33%	0.331	S	S	.	.	S	Bend	trans	-97.7	97.8	-179.1	-45.5	0	0	0	0	110.8	D789	D789-T792 PolarHBondContact OD1-N 2.84Å; D789-T792 PolarHBondContact OD1-OG1 3.49Å; D789-T792 VanDerWaalsContact OD2-CB 3.28Å; D789-T792 WeakPolarHBondContact OD2-CB 3.27Å; D789-T792 PolarHBondContact OD2-OG1 3.22Å
793	P	72.9	Confident	82.6	Confident	94 Å²	94	61.8 Å²	61.8	61%	0.61	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-61.3	140.3	170.8	27.3	-34.4	0	0	0	110.3	A791	A791-P793 WeakPolarHBondContact O-CD 3.28Å
794	I	80.1	Confident	82.8	Confident	23 Å²	23	61.2 Å²	61.2	12%	0.118	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-70.5	140.9	176	-174.4	169.9	0	0	0	110	E783 L786 M787 A796 E798 V799	E783-I794 HydrophobicContact CG-CG2 3.99Å; L786-I794 HydrophobicContact CB-CD1 3.52Å; L786-I794 HydrophobicContact CD1-CD1 4.45Å; M787-I794 HydrophobicContact CG-CG2 4.25Å; I794-A796 PolarHBondContact O-N 2.98Å; I794-E798 HydrophobicContact CD1-CB 3.83Å; I794-E798 HydrophobicContact CG1-CB 3.9Å; I794-V799 HydrophobicContact CD1-CG2 4.15Å; I794-V799 HydrophobicContact CG1-CG2 4.35Å; I794-V799 HydrophobicContact CG2-CG2 3.54Å
795	P	83.9	Confident	83.1	Confident	77 Å²	77	63.1 Å²	63.1	50%	0.5	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-60.4	132.6	173.8	-23.5	34.5	0	0	0	111	E797 E798	P795-E797 PolarHBondContact O-N 3.26Å; P795-E798 HydrophobicContact CB-CG 4.43Å; P795-E798 PolarHBondContact O-N 3.48Å
796	A	83.3	Confident	83.3	Confident	53 Å²	53	63 Å²	63	44%	0.438	33%	0.334	S	S	.	.	H	α-helix	trans	-54	-33.4	-177	0	0	0	0	0	113.2	I794 E798 V799 K800 W865	I794-A796 PolarHBondContact O-N 2.98Å; A796-E798 VanDerWaalsContact C-N 3.32Å; A796-E798 PolarHBondContact O-N 3.1Å; A796-V799 PolarHBondContact O-N 3.31Å; A796-K800 VanDerWaalsContact O-CB 3.23Å; A796-K800 WeakPolarHBondContact O-CB 3.31Å; A796-K800 PolarHBondContact O-N 3.38Å; A796-W865 HydrophobicContact CB-CZ2 4.44Å
797	E	86.5	Confident	83.7	Confident	112 Å²	112	61 Å²	61	52%	0.523	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-27.3	176.2	-73.7	-60.3	135.1	0	0	114.1	P795 K800 K801	P795-E797 PolarHBondContact O-N 3.26Å; E797-K800 VanDerWaalsContact OE1-CD 3.3Å; E797-K800 WeakPolarHBondContact OE1-CD 3.36Å; E797-K800 IonicContact OE1-NZ 2.7Å; E797-K801 VanDerWaalsContact O-CB 3.27Å; E797-K801 WeakPolarHBondContact O-CB 3.47Å; E797-K801 PolarHBondContact O-N 3.27Å
798	E	87.6	Confident	84.1	Confident	96 Å²	96	63.3 Å²	63.3	45%	0.449	33%	0.334	S	S	.	.	H	α-helix	trans	-71.4	-42.3	174	-66.7	-171.3	-170.6	0	0	110.9	I794 P795 A796 K801 V802	I794-E798 HydrophobicContact CD1-CB 3.83Å; I794-E798 HydrophobicContact CG1-CB 3.9Å; P795-E798 HydrophobicContact CB-CG 4.43Å; P795-E798 PolarHBondContact O-N 3.48Å; A796-E798 VanDerWaalsContact C-N 3.32Å; A796-E798 PolarHBondContact O-N 3.1Å; E798-K801 PolarHBondContact O-N 2.84Å; E798-V802 PolarHBondContact O-N 3.1Å
799	V	89	Confident	85	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-48.1	173.7	-173.4	0	0	0	0	110.3	E783 L786 I794 A796 K801 V802 V803 W865	E783-V799 HydrophobicContact CB-CG1 4.27Å; E783-V799 HydrophobicContact CB-CG2 4.2Å; E783-V799 HydrophobicContact CG-CG2 4.18Å; L786-V799 HydrophobicContact CD1-CG1 4.48Å; L786-V799 HydrophobicContact CD1-CG2 4.26Å; I794-V799 HydrophobicContact CD1-CG2 4.15Å; I794-V799 HydrophobicContact CG1-CG2 4.35Å; I794-V799 HydrophobicContact CG2-CG2 3.54Å; A796-V799 PolarHBondContact O-N 3.31Å; V799-K801 PolarHBondContact O-N 2.89Å; V799-V802 PolarHBondContact O-N 3Å; V799-V803 HydrophobicContact CG1-CG2 4.26Å; V799-V803 WeakPolarHBondContact O-CG2 3.4Å; V799-V803 PolarHBondContact O-N 3.08Å; V799-W865 HydrophobicContact CB-CH2 4.24Å; V799-W865 HydrophobicContact CG1-CH2 3.87Å; V799-W865 HydrophobicContact CG1-CZ3 4.41Å
800	K	89.9	Confident	86.2	Confident	22 Å²	22	56.3 Å²	56.3	10%	0.096	30%	0.301	C	S	.	.	H	α-helix	trans	-54.3	-39	176.5	-169.4	176	-173.8	175.3	0	112.1	A796 E797 V803 R804 D867 L868	A796-K800 VanDerWaalsContact O-CB 3.23Å; A796-K800 WeakPolarHBondContact O-CB 3.31Å; A796-K800 PolarHBondContact O-N 3.38Å; E797-K800 VanDerWaalsContact OE1-CD 3.3Å; E797-K800 WeakPolarHBondContact OE1-CD 3.36Å; E797-K800 IonicContact OE1-NZ 2.7Å; K800-V803 PolarHBondContact O-N 2.99Å; K800-R804 WeakPolarHBondContact O-CB 3.09Å; K800-R804 PolarHBondContact O-N 3.41Å; K800-D867 WeakPolarHBondContact CE-OD2 3.41Å; K800-D867 IonicContact NZ-OD1 2.89Å; K800-D867 IonicContact NZ-OD2 3.22Å; K800-D867 PolarHBondContact NZ-OD2 3.27Å; K800-L868 HydrophobicContact CG-CD1 4.03Å; K800-L868 HydrophobicContact CG-CD2 3.9Å; K800-L868 HydrophobicContact CG-CG 4.17Å
801	K	91.7	Very high	87.4	Confident	151 Å²	151	54.4 Å²	54.4	66%	0.657	29%	0.291	S	S	*	.	H	α-helix	trans	-64.5	-38.2	174.8	-176.1	-178.7	-179.5	-178.2	0	113.2	E797 E798 V799 K805	E797-K801 VanDerWaalsContact O-CB 3.27Å; E797-K801 WeakPolarHBondContact O-CB 3.47Å; E797-K801 PolarHBondContact O-N 3.27Å; E798-K801 PolarHBondContact O-N 2.84Å; V799-K801 PolarHBondContact O-N 2.89Å; K801-K805 PolarHBondContact O-N 3.26Å
802	V	92.4	Very high	88.9	Confident	28 Å²	28	55 Å²	55	17%	0.17	28%	0.283	C	S	.	.	H	α-helix	trans	-71	-44.5	174.7	-179.9	0	0	0	0	110.7	E756 L782 L786 E798 V799 K805 C806	E756-V802 HydrophobicContact CG-CG1 4.01Å; L782-V802 HydrophobicContact CD1-CG1 4.49Å; L782-V802 HydrophobicContact CD2-CG1 3.98Å; L786-V802 HydrophobicContact CD1-CB 4.37Å; L786-V802 HydrophobicContact CD1-CG2 4.04Å; E798-V802 PolarHBondContact O-N 3.1Å; V799-V802 PolarHBondContact O-N 3Å; V802-K805 PolarHBondContact O-N 3.17Å; V802-C806 PolarHBondContact O-N 3.42Å; V802-C806 PolarHBondContact O-SG 3.15Å
803	V	93	Very high	89.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-44.4	178.7	-179.6	0	0	0	0	111.2	L779 L782 V799 K800 K805 C806 L807 F862 W865 L868	L779-V803 HydrophobicContact CD2-CG1 3.95Å; L779-V803 HydrophobicContact CD2-CG2 3.72Å; L782-V803 HydrophobicContact CD2-CG2 3.98Å; V799-V803 HydrophobicContact CG1-CG2 4.26Å; V799-V803 WeakPolarHBondContact O-CG2 3.4Å; V799-V803 PolarHBondContact O-N 3.08Å; K800-V803 PolarHBondContact O-N 2.99Å; V803-K805 PolarHBondContact O-N 3.32Å; V803-C806 WeakPolarHBondContact O-CB 3.38Å; V803-C806 PolarHBondContact O-N 3.48Å; V803-L807 HydrophobicContact CG1-CD1 3.98Å; V803-L807 HydrophobicContact CG1-CG 4.37Å; V803-L807 WeakPolarHBondContact O-CG 3.45Å; V803-L807 PolarHBondContact O-N 3.01Å; V803-F862 HydrophobicContact CG1-CE1 3.91Å; V803-W865 HydrophobicContact CG2-CZ3 4.28Å; V803-L868 HydrophobicContact CB-CD1 4.1Å; V803-L868 HydrophobicContact CG1-CD1 3.74Å
804	R	93.9	Very high	90.7	Very high	68 Å²	68	48.5 Å²	48.5	26%	0.257	24%	0.24	S	C	.	.	H	α-helix	trans	-49.9	-53.5	171.1	175.2	-178.7	-76.6	128.7	-5.2	111.6	K800 C806 L807 E808 L868 E871	K800-R804 WeakPolarHBondContact O-CB 3.09Å; K800-R804 PolarHBondContact O-N 3.41Å; R804-C806 VanDerWaalsContact C-N 3.26Å; R804-C806 PolarHBondContact O-N 3.27Å; R804-L807 CarbonylContact O-C 3.58Å; R804-L807 PolarHBondContact O-N 3.36Å; R804-L807 VanDerWaalsContact O-N 3.08Å; R804-E808 WeakPolarHBondContact O-CG 3.29Å; R804-E808 PolarHBondContact O-N 3.39Å; R804-L868 HydrophobicContact CB-CD2 3.89Å; R804-E871 WeakPolarHBondContact CD-OE2 3.39Å; R804-E871 WeakPolarHBondContact CG-OE2 3.31Å; R804-E871 IonicContact CZ-OE1 3.71Å; R804-E871 IonicContact CZ-OE2 3.63Å; R804-E871 IonicContact NE-OE1 2.67Å; R804-E871 PolarHBondContact NE-OE1 3.37Å; R804-E871 IonicContact NE-OE2 2.71Å; R804-E871 PolarHBondContact NE-OE2 3.36Å; R804-E871 IonicContact NH2-OE1 3.88Å; R804-E871 PolarHBondContact NH2-OE1 3Å; R804-E871 IonicContact NH2-OE2 3.95Å
805	K	94.2	Very high	91.3	Very high	104 Å²	104	48 Å²	48	45%	0.452	24%	0.237	S	C	.	.	H	α-helix	trans	-60.8	-32.1	178.4	-177.3	-167.5	170.2	-150.2	0	112.8	E756 K801 V802 V803 K809	E756-K805 IonicContact OE1-NZ 3.45Å; E756-K805 IonicContact OE2-NZ 3.82Å; K801-K805 PolarHBondContact O-N 3.26Å; V802-K805 PolarHBondContact O-N 3.17Å; V803-K805 PolarHBondContact O-N 3.32Å; K805-K809 WeakPolarHBondContact O-CG 3.43Å; K805-K809 PolarHBondContact O-N 2.86Å
806	C	94.6	Very high	91.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-73.8	-38.1	174.3	-61.9	0	0	0	0	111.9	I759 V802 V803 R804 K809 A810	I759-C806 HydrophobicContact CB-CB 4.09Å; I759-C806 HydrophobicContact CG2-CB 3.62Å; V802-C806 PolarHBondContact O-N 3.42Å; V802-C806 PolarHBondContact O-SG 3.15Å; V803-C806 WeakPolarHBondContact O-CB 3.38Å; V803-C806 PolarHBondContact O-N 3.48Å; R804-C806 VanDerWaalsContact C-N 3.26Å; R804-C806 PolarHBondContact O-N 3.27Å; C806-K809 WeakPolarHBondContact O-CB 3.46Å; C806-K809 PolarHBondContact O-N 3.42Å; C806-A810 WeakPolarHBondContact O-CB 2.93Å; C806-A810 PolarHBondContact O-N 3.41Å
807	L	94.1	Very high	91.7	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-70.2	-34.8	175.8	-71.5	171.6	0	0	0	112.6	F762 V803 R804 K809 A810 A811 F862 L868 H872	F762-L807 HydrophobicContact CD1-CD2 4.37Å; F762-L807 HydrophobicContact CE1-CD2 4.08Å; V803-L807 HydrophobicContact CG1-CD1 3.98Å; V803-L807 HydrophobicContact CG1-CG 4.37Å; V803-L807 WeakPolarHBondContact O-CG 3.45Å; V803-L807 PolarHBondContact O-N 3.01Å; R804-L807 CarbonylContact O-C 3.58Å; R804-L807 PolarHBondContact O-N 3.36Å; R804-L807 VanDerWaalsContact O-N 3.08Å; L807-K809 VanDerWaalsContact C-N 3.34Å; L807-K809 PolarHBondContact O-N 3.41Å; L807-A810 PolarHBondContact O-N 3.27Å; L807-A810 VanDerWaalsContact O-N 3.13Å; L807-A811 PolarHBondContact O-N 3.21Å; L807-F862 HydrophobicContact CD1-CD1 4.5Å; L807-F862 HydrophobicContact CD1-CE1 4.01Å; L807-F862 HydrophobicContact CD1-CZ 4.47Å; L807-F862 HydrophobicContact CD2-CE1 4.35Å; L807-F862 HydrophobicContact CD2-CZ 3.99Å; L807-L868 HydrophobicContact CD1-CB 3.76Å; L807-L868 HydrophobicContact CD1-CD1 4.41Å; L807-H872 HydrophobicContact CB-CB 4.26Å; L807-H872 PolarHBondContact O-CD2 3.43Å
808	E	93.5	Very high	91.7	Very high	75 Å²	75	43.9 Å²	43.9	35%	0.35	20%	0.202	S	C	.	.	H	α-helix	trans	-59.9	-42.4	170.4	-72.1	-178	119.5	0	0	111.8	R804 L812 K875	R804-E808 WeakPolarHBondContact O-CG 3.29Å; R804-E808 PolarHBondContact O-N 3.39Å; E808-L812 PolarHBondContact O-N 3.47Å; E808-K875 HydrophobicContact CG-CD 4.26Å; E808-K875 HydrophobicContact CG-CG 4.37Å; E808-K875 VanDerWaalsContact OE1-CE 3.28Å; E808-K875 WeakPolarHBondContact OE1-CE 3.45Å; E808-K875 IonicContact OE1-NZ 2.74Å; E808-K875 PolarHBondContact OE1-NZ 2.99Å
809	K	93.6	Very high	91.7	Very high	74 Å²	74	39.7 Å²	39.7	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-64.7	-42.4	171.1	-61.4	166.9	-164.9	167.1	0	111.2	E756 S760 K805 C806 L807 A811 L812 I813	E756-K809 IonicContact OE2-NZ 3.73Å; E756-K809 PolarHBondContact OE2-NZ 3.28Å; S760-K809 WeakPolarHBondContact OG-CD 3.43Å; K805-K809 WeakPolarHBondContact O-CG 3.43Å; K805-K809 PolarHBondContact O-N 2.86Å; C806-K809 WeakPolarHBondContact O-CB 3.46Å; C806-K809 PolarHBondContact O-N 3.42Å; L807-K809 VanDerWaalsContact C-N 3.34Å; L807-K809 PolarHBondContact O-N 3.41Å; K809-A811 VanDerWaalsContact C-N 3.34Å; K809-A811 PolarHBondContact O-N 2.85Å; K809-L812 PolarHBondContact O-N 3.22Å; K809-I813 HydrophobicContact CB-CD1 4.28Å; K809-I813 WeakPolarHBondContact O-CD1 3.5Å; K809-I813 VanDerWaalsContact O-CG1 3.26Å; K809-I813 WeakPolarHBondContact O-CG1 3.43Å; K809-I813 PolarHBondContact O-N 2.77Å
810	A	94.1	Very high	91.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-38.5	-177.9	0	0	0	0	0	112.2	S760 F762 C806 L807 L812 I813 N814	S760-A810 WeakPolarHBondContact O-CA 3.27Å; S760-A810 VanDerWaalsContact O-CB 3.29Å; S760-A810 WeakPolarHBondContact O-CB 3.41Å; F762-A810 HydrophobicContact CD1-CB 3.99Å; F762-A810 HydrophobicContact CE1-CB 3.79Å; C806-A810 WeakPolarHBondContact O-CB 2.93Å; C806-A810 PolarHBondContact O-N 3.41Å; L807-A810 PolarHBondContact O-N 3.27Å; L807-A810 VanDerWaalsContact O-N 3.13Å; A810-L812 PolarHBondContact O-N 2.73Å; A810-I813 PolarHBondContact O-N 2.84Å; A810-N814 WeakPolarHBondContact O-CB 3.3Å; A810-N814 PolarHBondContact O-N 3.44Å; A810-N814 PolarHBondContact O-ND2 3.47Å
811	A	93.5	Very high	91	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-57.5	-49.5	173.9	0	0	0	0	0	110.9	L807 K809 N814 Y815 H872 K875 F876	L807-A811 PolarHBondContact O-N 3.21Å; K809-A811 VanDerWaalsContact C-N 3.34Å; K809-A811 PolarHBondContact O-N 2.85Å; A811-N814 PolarHBondContact O-N 2.9Å; A811-Y815 WeakPolarHBondContact O-CB 3.28Å; A811-Y815 PolarHBondContact O-N 2.88Å; A811-H872 PolarHBondContact N-NE2 3.44Å; A811-K875 HydrophobicContact CB-CB 3.93Å; A811-F876 HydrophobicContact CB-CB 4.16Å
812	L	93.1	Very high	90.3	Very high	91 Å²	91	46.9 Å²	46.9	48%	0.476	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-50.9	175.7	-178.5	63.2	0	0	0	112.3	E808 K809 A810 N814 Y815 T816 L879	E808-L812 PolarHBondContact O-N 3.47Å; K809-L812 PolarHBondContact O-N 3.22Å; A810-L812 PolarHBondContact O-N 2.73Å; L812-N814 VanDerWaalsContact C-N 3.29Å; L812-N814 PolarHBondContact O-N 2.94Å; L812-Y815 PolarHBondContact O-N 3.14Å; L812-T816 PolarHBondContact O-N 3.2Å; L812-T816 PolarHBondContact O-OG1 2.9Å; L812-T816 VanDerWaalsContact O-OG1 3.11Å; L812-L879 HydrophobicContact CB-CD1 4.28Å; L812-L879 HydrophobicContact CD1-CD1 3.95Å; L812-L879 HydrophobicContact CD1-CD2 4.22Å
813	I	91.7	Very high	89.6	Confident	37 Å²	37	51.8 Å²	51.8	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-38.2	-179.7	-66.8	158.7	0	0	0	111.7	K809 A810 R817	K809-I813 HydrophobicContact CB-CD1 4.28Å; K809-I813 WeakPolarHBondContact O-CD1 3.5Å; K809-I813 VanDerWaalsContact O-CG1 3.26Å; K809-I813 WeakPolarHBondContact O-CG1 3.43Å; K809-I813 PolarHBondContact O-N 2.77Å; A810-I813 PolarHBondContact O-N 2.84Å; I813-R817 WeakPolarHBondContact O-CB 3.43Å; I813-R817 WeakPolarHBondContact O-CG 3.33Å; I813-R817 PolarHBondContact O-N 3.02Å
814	N	90.9	Very high	88.5	Confident	2 Å²	2	52 Å²	52	1%	0.011	24%	0.236	C	C	.	.	H	α-helix	trans	-70.6	-39.2	177.7	-71.1	-30.2	0	0	0	111.6	R763 A810 A811 L812 L818 H872 F876	R763-N814 VanDerWaalsContact CD-CG 3.45Å; R763-N814 WeakPolarHBondContact CD-OD1 3.47Å; A810-N814 WeakPolarHBondContact O-CB 3.3Å; A810-N814 PolarHBondContact O-N 3.44Å; A810-N814 PolarHBondContact O-ND2 3.47Å; A811-N814 PolarHBondContact O-N 2.9Å; L812-N814 VanDerWaalsContact C-N 3.29Å; L812-N814 PolarHBondContact O-N 2.94Å; N814-L818 PolarHBondContact O-N 3.16Å; N814-H872 PolarHBondContact ND2-NE2 3.12Å; N814-F876 HydrophobicContact CB-CD2 4.23Å; N814-F876 HydrophobicContact CB-CE2 3.9Å
815	Y	91.9	Very high	87.1	Confident	14 Å²	14	55.8 Å²	55.8	6%	0.055	26%	0.257	C	S	.	.	H	α-helix	trans	-72.3	-50.7	-178.9	-175	-100.8	0	0	0	111.7	A811 L812 R817 L818 T819 L843 F876 L879 F880 D883	A811-Y815 WeakPolarHBondContact O-CB 3.28Å; A811-Y815 PolarHBondContact O-N 2.88Å; L812-Y815 PolarHBondContact O-N 3.14Å; Y815-R817 VanDerWaalsContact C-N 3.27Å; Y815-R817 PolarHBondContact O-N 3.48Å; Y815-L818 WeakPolarHBondContact O-CA 3.21Å; Y815-L818 VanDerWaalsContact O-CB 3.3Å; Y815-L818 WeakPolarHBondContact O-CB 3.32Å; Y815-L818 PolarHBondContact O-N 3.05Å; Y815-T819 HydrophobicContact CD1-CG2 4.29Å; Y815-T819 HydrophobicContact CE1-CG2 3.72Å; Y815-T819 HydrophobicContact CE2-CG2 4.2Å; Y815-T819 PolarHBondContact O-N 3.35Å; Y815-T819 PolarHBondContact O-OG1 2.87Å; Y815-L843 HydrophobicContact CE2-CD2 4.36Å; Y815-F876 HydrophobicContact CD2-CE1 4.37Å; Y815-F876 HydrophobicContact CD2-CE2 4.16Å; Y815-F876 HydrophobicContact CD2-CZ 4.06Å; Y815-L879 HydrophobicContact CD1-CB 3.61Å; Y815-L879 HydrophobicContact CD1-CD1 4.12Å; Y815-L879 HydrophobicContact CD1-CG 4.43Å; Y815-L879 HydrophobicContact CD2-CB 4.25Å; Y815-L879 HydrophobicContact CE1-CB 3.84Å; Y815-L879 HydrophobicContact CE2-CB 4.48Å; Y815-L879 HydrophobicContact CG-CB 3.83Å; Y815-L879 HydrophobicContact CG-CD1 4.07Å; Y815-F880 HydrophobicContact CE2-CB 3.83Å; Y815-F880 HydrophobicContact CE2-CD2 4.44Å; Y815-F880 WeakPolarHBondContact OH-CA 3.36Å; Y815-D883 PolarHBondContact OH-OD2 3.15Å
816	T	89.9	Confident	85.6	Confident	53 Å²	53	57.6 Å²	57.6	33%	0.325	27%	0.267	S	S	.	.	H	α-helix	trans	-56.9	-40.4	177.9	-55.2	0	0	0	0	111.9	L812 L818 T819 E820	L812-T816 PolarHBondContact O-N 3.2Å; L812-T816 PolarHBondContact O-OG1 2.9Å; L812-T816 VanDerWaalsContact O-OG1 3.11Å; T816-L818 VanDerWaalsContact C-N 3.25Å; T816-L818 PolarHBondContact O-N 3.08Å; T816-T819 PolarHBondContact O-N 2.76Å; T816-T819 PolarHBondContact O-OG1 3.44Å; T816-T819 VanDerWaalsContact O-OG1 3.11Å; T816-E820 VanDerWaalsContact O-CB 3.31Å; T816-E820 WeakPolarHBondContact O-CB 3.3Å; T816-E820 WeakPolarHBondContact O-CG 3.49Å; T816-E820 PolarHBondContact O-N 3.32Å
817	R	86.3	Confident	84.2	Confident	86 Å²	86	59 Å²	59	33%	0.325	28%	0.276	S	S	.	.	H	α-helix	trans	-72.4	-16.4	176	-72.8	-175.1	176	166.8	7.3	114.3	Y764 I813 Y815 Y821	Y764-R817 VanDerWaalsContact CE2-NH1 3.26Å; Y764-R817 WeakPolarHBondContact OH-CD 3.41Å; I813-R817 WeakPolarHBondContact O-CB 3.43Å; I813-R817 WeakPolarHBondContact O-CG 3.33Å; I813-R817 PolarHBondContact O-N 3.02Å; Y815-R817 VanDerWaalsContact C-N 3.27Å; Y815-R817 PolarHBondContact O-N 3.48Å; R817-Y821 WeakPolarHBondContact O-CB 3.33Å; R817-Y821 PolarHBondContact O-N 3.14Å
818	L	87.8	Confident	82.8	Confident	15 Å²	15	60.1 Å²	60.1	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-83.1	-43.7	173.9	-163.6	64.9	0	0	0	110.8	N814 Y815 T816 Y821 A822 L843 L846 C847 V850 F876	N814-L818 PolarHBondContact O-N 3.16Å; Y815-L818 WeakPolarHBondContact O-CA 3.21Å; Y815-L818 VanDerWaalsContact O-CB 3.3Å; Y815-L818 WeakPolarHBondContact O-CB 3.32Å; Y815-L818 PolarHBondContact O-N 3.05Å; T816-L818 VanDerWaalsContact C-N 3.25Å; T816-L818 PolarHBondContact O-N 3.08Å; L818-Y821 PolarHBondContact O-N 3.28Å; L818-A822 WeakPolarHBondContact O-CB 3.48Å; L818-A822 PolarHBondContact O-N 3.15Å; L818-L843 HydrophobicContact CD2-CD1 4Å; L818-L843 HydrophobicContact CG-CD1 4.16Å; L818-L846 HydrophobicContact CD1-CB 4.06Å; L818-L846 HydrophobicContact CD2-CB 4.08Å; L818-L846 HydrophobicContact CG-CB 4.24Å; L818-C847 HydrophobicContact CD2-CB 4.49Å; L818-V850 HydrophobicContact CD1-CG2 3.74Å; L818-V850 HydrophobicContact CD2-CG2 4.01Å; L818-V850 HydrophobicContact CG-CG2 4.49Å; L818-F876 HydrophobicContact CD2-CZ 4.03Å
819	T	86.6	Confident	81.5	Confident	9 Å²	9	63 Å²	63	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-69.1	-34.4	175	56.9	0	0	0	0	112.2	Y815 T816 K823 I824 L843	Y815-T819 HydrophobicContact CD1-CG2 4.29Å; Y815-T819 HydrophobicContact CE1-CG2 3.72Å; Y815-T819 HydrophobicContact CE2-CG2 4.2Å; Y815-T819 PolarHBondContact O-N 3.35Å; Y815-T819 PolarHBondContact O-OG1 2.87Å; T816-T819 PolarHBondContact O-N 2.76Å; T816-T819 PolarHBondContact O-OG1 3.44Å; T816-T819 VanDerWaalsContact O-OG1 3.11Å; T819-K823 WeakPolarHBondContact O-CA 3.2Å; T819-K823 PolarHBondContact O-N 3.45Å; T819-I824 PolarHBondContact O-N 2.89Å; T819-L843 HydrophobicContact CG2-CD1 4.3Å; T819-L843 HydrophobicContact CG2-CD2 4.25Å
820	E	84.3	Confident	80.1	Confident	125 Å²	125	67.9 Å²	67.9	58%	0.584	32%	0.323	S	S	*	.	H	α-helix	trans	-57.1	-47.9	166.3	-79.9	171.6	-176.5	0	0	111.7	T816 K823	T816-E820 VanDerWaalsContact O-CB 3.31Å; T816-E820 WeakPolarHBondContact O-CB 3.3Å; T816-E820 WeakPolarHBondContact O-CG 3.49Å; T816-E820 PolarHBondContact O-N 3.32Å; E820-K823 PolarHBondContact O-N 2.83Å
821	Y	79.4	Confident	79.2	Confident	179 Å²	179	69 Å²	69	70%	0.702	33%	0.332	S	S	*	.	H	α-helix	trans	-66.1	-42.2	-179	175.1	-96.4	0	0	0	112.2	R817 L818 K823	R817-Y821 WeakPolarHBondContact O-CB 3.33Å; R817-Y821 PolarHBondContact O-N 3.14Å; L818-Y821 PolarHBondContact O-N 3.28Å; Y821-K823 VanDerWaalsContact C-N 3.31Å
822	A	78.8	Confident	78.7	Confident	20 Å²	20	72.4 Å²	72.4	17%	0.165	36%	0.356	C	S	.	.	H	α-helix	trans	-80.8	-5.1	177.3	0	0	0	0	0	114	L818 I824 L846	L818-A822 WeakPolarHBondContact O-CB 3.48Å; L818-A822 PolarHBondContact O-N 3.15Å; A822-I824 VanDerWaalsContact C-N 3.26Å; A822-I824 HydrophobicContact CB-CD1 3.66Å; A822-I824 HydrophobicContact CB-CG1 3.7Å; A822-I824 PolarHBondContact O-N 2.65Å; A822-L846 HydrophobicContact CB-CD1 4.06Å
823	K	77.4	Confident	78.3	Confident	132 Å²	132	70.6 Å²	70.6	57%	0.574	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	30.3	178.5	-55.5	-175.9	178.8	-177.3	0	115.7	T819 E820 Y821 E825 E826	T819-K823 WeakPolarHBondContact O-CA 3.2Å; T819-K823 PolarHBondContact O-N 3.45Å; E820-K823 PolarHBondContact O-N 2.83Å; Y821-K823 VanDerWaalsContact C-N 3.31Å; K823-E825 VanDerWaalsContact C-N 3.33Å; K823-E825 PolarHBondContact O-N 3.48Å; K823-E826 PolarHBondContact O-N 3.16Å
824	I	69.2	Low	77.9	Confident	3 Å²	3	71.8 Å²	71.8	2%	0.015	37%	0.365	C	S	.	.	H	α-helix	trans	-66.6	-33.8	-166.2	-69.8	176.2	0	0	0	112.6	T819 A822 E826 T827 M828 L843	T819-I824 PolarHBondContact O-N 2.89Å; A822-I824 VanDerWaalsContact C-N 3.26Å; A822-I824 HydrophobicContact CB-CD1 3.66Å; A822-I824 HydrophobicContact CB-CG1 3.7Å; A822-I824 PolarHBondContact O-N 2.65Å; I824-E826 VanDerWaalsContact C-N 3.32Å; I824-E826 PolarHBondContact O-N 3.41Å; I824-T827 PolarHBondContact O-N 2.85Å; I824-M828 HydrophobicContact CG2-CE 3.76Å; I824-M828 HydrophobicContact CG2-CG 3.49Å; I824-M828 VanDerWaalsContact CG2-CG 3.49Å; I824-M828 WeakPolarHBondContact O-CB 3.48Å; I824-M828 VanDerWaalsContact O-CG 3.27Å; I824-M828 WeakPolarHBondContact O-CG 3.32Å; I824-M828 PolarHBondContact O-N 2.83Å; I824-L843 HydrophobicContact CD1-CB 3.61Å; I824-L843 HydrophobicContact CD1-CD1 3.71Å; I824-L843 HydrophobicContact CD1-CD2 3.65Å; I824-L843 HydrophobicContact CD1-CG 3.81Å
825	E	64.7	Low	77.6	Confident	148 Å²	148	77.7 Å²	77.7	69%	0.692	39%	0.387	S	S	*	.	H	α-helix	trans	-61.2	-35.6	178.6	-63.7	-172	174	0	0	113.4	K823 N829	K823-E825 VanDerWaalsContact C-N 3.33Å; K823-E825 PolarHBondContact O-N 3.48Å; E825-N829 PolarHBondContact O-ND2 3.42Å
826	E	63.4	Low	77.3	Confident	142 Å²	142	79 Å²	79	66%	0.664	39%	0.393	S	S	*	.	H	α-helix	trans	-70.8	-43.1	177.2	-64.4	-169	136.4	0	0	110.8	K823 I824	K823-E826 PolarHBondContact O-N 3.16Å; I824-E826 VanDerWaalsContact C-N 3.32Å; I824-E826 PolarHBondContact O-N 3.41Å
827	T	63.5	Low	77.3	Confident	31 Å²	31	76.9 Å²	76.9	19%	0.19	38%	0.38	C	S	.	.	H	α-helix	trans	-74.2	-44.5	-176.1	-54.4	0	0	0	0	112.9	I824 N829 Q830 A831 E839	I824-T827 PolarHBondContact O-N 2.85Å; T827-N829 PolarHBondContact O-N 3.36Å; T827-N829 VanDerWaalsContact O-N 3.12Å; T827-Q830 PolarHBondContact O-N 2.85Å; T827-A831 HydrophobicContact CG2-CB 3.8Å; T827-A831 VanDerWaalsContact O-CB 3.23Å; T827-A831 WeakPolarHBondContact O-CB 3.41Å; T827-A831 PolarHBondContact O-N 3.01Å; T827-E839 HydrophobicContact CG2-CG 3.95Å
828	M	65.3	Low	77.3	Confident	26 Å²	26	79 Å²	79	13%	0.128	39%	0.394	C	S	.	.	H	α-helix	trans	-60.7	-26.4	-175.8	-74.4	-61.3	160	0	0	113.7	I824 K836 E839 I840	I824-M828 HydrophobicContact CG2-CE 3.76Å; I824-M828 HydrophobicContact CG2-CG 3.49Å; I824-M828 VanDerWaalsContact CG2-CG 3.49Å; I824-M828 WeakPolarHBondContact O-CB 3.48Å; I824-M828 VanDerWaalsContact O-CG 3.27Å; I824-M828 WeakPolarHBondContact O-CG 3.32Å; I824-M828 PolarHBondContact O-N 2.83Å; M828-K836 HydrophobicContact CE-CB 4.42Å; M828-K836 WeakPolarHBondContact CE-O 2.97Å; M828-K836 WeakPolarHBondContact O-CE 3.37Å; M828-K836 PolarHBondContact O-NZ 3.35Å; M828-K836 HydrophobicContact SD-CB 3.83Å; M828-K836 HydrophobicContact SD-CD 4.1Å; M828-K836 HydrophobicContact SD-CG 3.87Å; M828-E839 HydrophobicContact CE-CB 3.89Å; M828-I840 HydrophobicContact CE-CD1 3.64Å; M828-I840 HydrophobicContact CE-CG1 3.66Å
829	N	66.6	Low	77.3	Confident	135 Å²	135	79.9 Å²	79.9	72%	0.722	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-15	179.4	-78	-69	0	0	0	114.1	E825 T827	E825-N829 PolarHBondContact O-ND2 3.42Å; T827-N829 PolarHBondContact O-N 3.36Å; T827-N829 VanDerWaalsContact O-N 3.12Å
830	Q	64.8	Low	77.6	Confident	177 Å²	177	79.4 Å²	79.4	83%	0.827	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.1	-13.8	-172.3	-57.4	-173.3	36.8	0	0	115	T827	T827-Q830 PolarHBondContact O-N 2.85Å
831	A	74.7	Confident	77.9	Confident	22 Å²	22	75.7 Å²	75.7	18%	0.182	38%	0.378	C	S	.	.			trans	-76.9	155.7	-177.2	0	0	0	0	0	114.7	T827 R835 K836	T827-A831 HydrophobicContact CG2-CB 3.8Å; T827-A831 VanDerWaalsContact O-CB 3.23Å; T827-A831 WeakPolarHBondContact O-CB 3.41Å; T827-A831 PolarHBondContact O-N 3.01Å; A831-R835 HydrophobicContact CB-CB 4.18Å; A831-R835 HydrophobicContact CB-CG 4.13Å; A831-K836 HydrophobicContact CB-CG 3.97Å; A831-K836 WeakPolarHBondContact O-CE 3.49Å
832	S	83.1	Confident	78.4	Confident	73 Å²	73	71.5 Å²	71.5	51%	0.51	37%	0.365	S	S	.	.			trans	-69.5	156.5	169.1	56.9	0	0	0	0	111.7	A834 R835 K836	S832-A834 PolarHBondContact O-N 2.76Å; S832-R835 PolarHBondContact O-N 3.43Å; S832-K836 PolarHBondContact O-N 3.46Å
833	P	83.3	Confident	79	Confident	53 Å²	53	70.6 Å²	70.6	34%	0.344	36%	0.357	S	S	.	.	H	α-helix	trans	-52.2	-47.8	-177.1	-30.4	37	0	0	0	114.6	R835 K836 L837 A890 Q891	P833-R835 VanDerWaalsContact C-N 3.31Å; P833-R835 PolarHBondContact O-N 2.98Å; P833-K836 WeakPolarHBondContact O-CB 3.43Å; P833-K836 PolarHBondContact O-N 3.18Å; P833-K836 VanDerWaalsContact O-N 3.17Å; P833-L837 PolarHBondContact O-N 3.09Å; P833-A890 WeakPolarHBondContact CB-O 3.45Å; P833-A890 WeakPolarHBondContact CG-O 3.34Å; P833-Q891 PolarHBondContact O-NE2 3.04Å
834	A	83.9	Confident	79.8	Confident	63 Å²	63	64.3 Å²	64.3	52%	0.521	33%	0.33	S	S	.	.	H	α-helix	trans	-58.9	-40.5	177.7	0	0	0	0	0	112.6	S832 L837 E838	S832-A834 PolarHBondContact O-N 2.76Å; A834-L837 WeakPolarHBondContact O-CB 3.45Å; A834-L837 PolarHBondContact O-N 2.87Å; A834-E838 PolarHBondContact O-N 3.4Å
835	R	84.6	Confident	80.8	Confident	126 Å²	126	68.2 Å²	68.2	48%	0.475	35%	0.348	S	S	.	.	H	α-helix	trans	-72	-35.6	177	-177.3	172.3	-179	145.9	10.7	112.3	A831 S832 P833 L837 E838 E839	A831-R835 HydrophobicContact CB-CB 4.18Å; A831-R835 HydrophobicContact CB-CG 4.13Å; S832-R835 PolarHBondContact O-N 3.43Å; P833-R835 VanDerWaalsContact C-N 3.31Å; P833-R835 PolarHBondContact O-N 2.98Å; R835-L837 PolarHBondContact O-N 3.47Å; R835-E838 PolarHBondContact O-N 2.82Å; R835-E839 HydrophobicContact CG-CG 4.04Å; R835-E839 IonicContact CZ-OE1 3.32Å; R835-E839 VanDerWaalsContact CZ-OE1 3.27Å; R835-E839 IonicContact NE-OE1 3.18Å; R835-E839 PolarHBondContact NE-OE1 3.37Å; R835-E839 IonicContact NH2-OE1 2.73Å; R835-E839 PolarHBondContact NH2-OE1 3.46Å; R835-E839 WeakPolarHBondContact O-CG 3.32Å; R835-E839 PolarHBondContact O-N 3.39Å
836	K	86.3	Confident	82.1	Confident	42 Å²	42	62.2 Å²	62.2	18%	0.183	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-38.6	171.3	-63.6	-169.1	-169.5	-157.4	0	111.2	M828 A831 S832 P833 E839 I840 A887 A890	M828-K836 HydrophobicContact CE-CB 4.42Å; M828-K836 WeakPolarHBondContact CE-O 2.97Å; M828-K836 WeakPolarHBondContact O-CE 3.37Å; M828-K836 PolarHBondContact O-NZ 3.35Å; M828-K836 HydrophobicContact SD-CB 3.83Å; M828-K836 HydrophobicContact SD-CD 4.1Å; M828-K836 HydrophobicContact SD-CG 3.87Å; A831-K836 HydrophobicContact CB-CG 3.97Å; A831-K836 WeakPolarHBondContact O-CE 3.49Å; S832-K836 PolarHBondContact O-N 3.46Å; P833-K836 WeakPolarHBondContact O-CB 3.43Å; P833-K836 PolarHBondContact O-N 3.18Å; P833-K836 VanDerWaalsContact O-N 3.17Å; K836-E839 PolarHBondContact O-N 3.45Å; K836-I840 WeakPolarHBondContact O-CG1 3.3Å; K836-I840 PolarHBondContact O-N 2.75Å; K836-A887 HydrophobicContact CB-CB 4.33Å; K836-A890 HydrophobicContact CD-CB 4.43Å
837	L	88.4	Confident	83.5	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-69.6	-41.2	179	-172.1	57.1	0	0	0	112.6	P833 A834 R835 I840 L841 L888 Q891 D897 L901	P833-L837 PolarHBondContact O-N 3.09Å; A834-L837 WeakPolarHBondContact O-CB 3.45Å; A834-L837 PolarHBondContact O-N 2.87Å; R835-L837 PolarHBondContact O-N 3.47Å; L837-I840 PolarHBondContact O-N 2.85Å; L837-L841 WeakPolarHBondContact O-CB 3.28Å; L837-L841 PolarHBondContact O-N 3.31Å; L837-L888 HydrophobicContact CD1-CD2 4.18Å; L837-Q891 HydrophobicContact CD2-CG 4.47Å; L837-D897 HydrophobicContact CD2-CB 3.83Å; L837-D897 WeakPolarHBondContact CD2-O 3.26Å; L837-L901 HydrophobicContact CD1-CD2 4.09Å
838	E	87.8	Confident	84.8	Confident	131 Å²	131	54.7 Å²	54.7	61%	0.612	28%	0.284	S	S	*	.	H	α-helix	trans	-57.6	-46.5	171.7	-175.4	178.8	-160.7	0	0	111.8	A834 R835 L841 H842	A834-E838 PolarHBondContact O-N 3.4Å; R835-E838 PolarHBondContact O-N 2.82Å; E838-L841 PolarHBondContact O-N 3.46Å; E838-H842 PolarHBondContact O-N 2.89Å
839	E	87.8	Confident	85.9	Confident	32 Å²	32	58.2 Å²	58.2	15%	0.15	30%	0.3	C	S	.	.	H	α-helix	trans	-72.7	-30.1	-178.3	-52	-102.9	-175.6	0	0	111.8	T827 M828 R835 K836 L843	T827-E839 HydrophobicContact CG2-CG 3.95Å; M828-E839 HydrophobicContact CE-CB 3.89Å; R835-E839 HydrophobicContact CG-CG 4.04Å; R835-E839 IonicContact CZ-OE1 3.32Å; R835-E839 VanDerWaalsContact CZ-OE1 3.27Å; R835-E839 IonicContact NE-OE1 3.18Å; R835-E839 PolarHBondContact NE-OE1 3.37Å; R835-E839 IonicContact NH2-OE1 2.73Å; R835-E839 PolarHBondContact NH2-OE1 3.46Å; R835-E839 WeakPolarHBondContact O-CG 3.32Å; R835-E839 PolarHBondContact O-N 3.39Å; K836-E839 PolarHBondContact O-N 3.45Å; E839-L843 PolarHBondContact O-N 3.3Å
840	I	91.5	Very high	87	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-71.3	-37	168.5	-72.7	-53.8	0	0	0	112.4	M828 K836 L837 H842 L843 A844 F880 D883 M884 A887 L901	M828-I840 HydrophobicContact CE-CD1 3.64Å; M828-I840 HydrophobicContact CE-CG1 3.66Å; K836-I840 WeakPolarHBondContact O-CG1 3.3Å; K836-I840 PolarHBondContact O-N 2.75Å; L837-I840 PolarHBondContact O-N 2.85Å; I840-H842 VanDerWaalsContact C-N 3.34Å; I840-L843 HydrophobicContact CD1-CD2 4.25Å; I840-L843 WeakPolarHBondContact O-CB 3.34Å; I840-L843 PolarHBondContact O-N 2.91Å; I840-A844 PolarHBondContact O-N 3.09Å; I840-F880 HydrophobicContact CG2-CE2 4.22Å; I840-F880 HydrophobicContact CG2-CZ 3.87Å; I840-D883 HydrophobicContact CD1-CB 3.83Å; I840-M884 HydrophobicContact CG2-CG 4.43Å; I840-A887 HydrophobicContact CB-CB 4.37Å; I840-A887 HydrophobicContact CD1-CB 4.46Å; I840-A887 HydrophobicContact CG1-CB 3.46Å; I840-A887 VanDerWaalsContact CG1-CB 3.46Å; I840-L901 HydrophobicContact CG2-CD1 4.14Å; I840-L901 HydrophobicContact CG2-CD2 3.71Å
841	L	91.3	Very high	88.2	Confident	47 Å²	47	44.4 Å²	44.4	25%	0.246	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-43.9	175.3	-171	150.5	0	0	0	110.2	L837 E838 L843 A844 E845 P900 L904	L837-L841 WeakPolarHBondContact O-CB 3.28Å; L837-L841 PolarHBondContact O-N 3.31Å; E838-L841 PolarHBondContact O-N 3.46Å; L841-L843 PolarHBondContact O-N 3.39Å; L841-A844 WeakPolarHBondContact O-CB 3.47Å; L841-A844 PolarHBondContact O-N 2.68Å; L841-A844 VanDerWaalsContact O-N 3.11Å; L841-E845 HydrophobicContact CD2-CG 4.42Å; L841-E845 WeakPolarHBondContact O-CG 3.47Å; L841-E845 PolarHBondContact O-N 3.24Å; L841-P900 HydrophobicContact CD1-CB 3.99Å; L841-L904 HydrophobicContact CD2-CD2 4.39Å; L841-L904 HydrophobicContact CG-CD2 4.23Å
842	H	90.1	Very high	88.9	Confident	91 Å²	91	47.5 Å²	47.5	42%	0.421	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-37.3	173.3	-169.8	46.7	0	0	0	112.8	E838 I840 A844 E845 L846	E838-H842 PolarHBondContact O-N 2.89Å; I840-H842 VanDerWaalsContact C-N 3.34Å; H842-A844 VanDerWaalsContact C-N 3.32Å; H842-A844 PolarHBondContact O-N 2.79Å; H842-E845 IonicContact CE1-OE2 3.3Å; H842-E845 IonicContact CG-OE2 3.58Å; H842-E845 IonicContact ND1-OE2 3.58Å; H842-E845 PolarHBondContact ND1-OE2 2.86Å; H842-E845 PolarHBondContact O-N 2.89Å; H842-L846 WeakPolarHBondContact O-CG 3.5Å; H842-L846 PolarHBondContact O-N 2.95Å
843	L	91.6	Very high	88.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-39.4	170.5	-177.2	58.9	0	0	0	112	Y815 L818 T819 I824 E839 I840 L841 L846 C847 F880	Y815-L843 HydrophobicContact CE2-CD2 4.36Å; L818-L843 HydrophobicContact CD2-CD1 4Å; L818-L843 HydrophobicContact CG-CD1 4.16Å; T819-L843 HydrophobicContact CG2-CD1 4.3Å; T819-L843 HydrophobicContact CG2-CD2 4.25Å; I824-L843 HydrophobicContact CD1-CB 3.61Å; I824-L843 HydrophobicContact CD1-CD1 3.71Å; I824-L843 HydrophobicContact CD1-CD2 3.65Å; I824-L843 HydrophobicContact CD1-CG 3.81Å; E839-L843 PolarHBondContact O-N 3.3Å; I840-L843 HydrophobicContact CD1-CD2 4.25Å; I840-L843 WeakPolarHBondContact O-CB 3.34Å; I840-L843 PolarHBondContact O-N 2.91Å; L841-L843 PolarHBondContact O-N 3.39Å; L843-L846 PolarHBondContact O-N 3.28Å; L843-C847 VanDerWaalsContact O-CB 3.26Å; L843-C847 WeakPolarHBondContact O-CB 3.44Å; L843-C847 PolarHBondContact O-N 2.91Å; L843-C847 PolarHBondContact O-SG 3.4Å; L843-F880 HydrophobicContact CB-CE2 4.11Å; L843-F880 HydrophobicContact CD2-CD2 3.63Å; L843-F880 HydrophobicContact CD2-CE2 3.8Å; L843-F880 HydrophobicContact CG-CD2 3.83Å; L843-F880 HydrophobicContact CG-CE2 3.78Å
844	A	93.1	Very high	89.2	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-42.7	177.8	0	0	0	0	0	111.7	I840 L841 H842 C847 I848 F880 L901 L904 L905	I840-A844 PolarHBondContact O-N 3.09Å; L841-A844 WeakPolarHBondContact O-CB 3.47Å; L841-A844 PolarHBondContact O-N 2.68Å; L841-A844 VanDerWaalsContact O-N 3.11Å; H842-A844 VanDerWaalsContact C-N 3.32Å; H842-A844 PolarHBondContact O-N 2.79Å; A844-C847 WeakPolarHBondContact O-CB 3.46Å; A844-C847 PolarHBondContact O-N 3.29Å; A844-I848 WeakPolarHBondContact O-CB 3.36Å; A844-I848 VanDerWaalsContact O-CG1 3.25Å; A844-I848 WeakPolarHBondContact O-CG1 3.31Å; A844-I848 PolarHBondContact O-N 2.89Å; A844-F880 HydrophobicContact CB-CE2 4.19Å; A844-F880 HydrophobicContact CB-CZ 3.85Å; A844-L901 HydrophobicContact CB-CD1 3.72Å; A844-L904 HydrophobicContact CB-CD2 3.84Å; A844-L905 HydrophobicContact CB-CD2 3.94Å; A844-L905 HydrophobicContact CB-CG 4.42Å
845	E	92	Very high	89.3	Confident	86 Å²	86	46 Å²	46	40%	0.402	21%	0.212	S	C	.	.	H	α-helix	trans	-56.8	-52.3	171.9	-63.6	174	147.1	0	0	111.2	L841 H842 C847 I848 E849 L904	L841-E845 HydrophobicContact CD2-CG 4.42Å; L841-E845 WeakPolarHBondContact O-CG 3.47Å; L841-E845 PolarHBondContact O-N 3.24Å; H842-E845 IonicContact CE1-OE2 3.3Å; H842-E845 IonicContact CG-OE2 3.58Å; H842-E845 IonicContact ND1-OE2 3.58Å; H842-E845 PolarHBondContact ND1-OE2 2.86Å; H842-E845 PolarHBondContact O-N 2.89Å; E845-C847 VanDerWaalsContact C-N 3.32Å; E845-C847 PolarHBondContact O-N 3.02Å; E845-I848 WeakPolarHBondContact O-CB 3.32Å; E845-I848 PolarHBondContact O-N 3.38Å; E845-E849 PolarHBondContact O-N 3.43Å; E845-L904 HydrophobicContact CG-CD2 3.85Å
846	L	90.3	Very high	89.3	Confident	22 Å²	22	43 Å²	43	12%	0.115	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-36.8	179.2	-70.3	175	0	0	0	112.5	L818 A822 H842 L843 V850	L818-L846 HydrophobicContact CD1-CB 4.06Å; L818-L846 HydrophobicContact CD2-CB 4.08Å; L818-L846 HydrophobicContact CG-CB 4.24Å; A822-L846 HydrophobicContact CB-CD1 4.06Å; H842-L846 WeakPolarHBondContact O-CG 3.5Å; H842-L846 PolarHBondContact O-N 2.95Å; L843-L846 PolarHBondContact O-N 3.28Å; L846-V850 WeakPolarHBondContact O-CB 3.14Å; L846-V850 VanDerWaalsContact O-CG2 3.25Å; L846-V850 WeakPolarHBondContact O-CG2 3.16Å; L846-V850 PolarHBondContact O-N 3.38Å
847	C	92.7	Very high	89.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-45.3	173.9	-79.5	0	0	0	0	111.4	L818 L843 A844 E845 V850 L851 F876 W877	L818-C847 HydrophobicContact CD2-CB 4.49Å; L843-C847 VanDerWaalsContact O-CB 3.26Å; L843-C847 WeakPolarHBondContact O-CB 3.44Å; L843-C847 PolarHBondContact O-N 2.91Å; L843-C847 PolarHBondContact O-SG 3.4Å; A844-C847 WeakPolarHBondContact O-CB 3.46Å; A844-C847 PolarHBondContact O-N 3.29Å; E845-C847 VanDerWaalsContact C-N 3.32Å; E845-C847 PolarHBondContact O-N 3.02Å; C847-V850 PolarHBondContact O-N 2.95Å; C847-L851 WeakPolarHBondContact O-CG 3.16Å; C847-L851 PolarHBondContact O-N 3.42Å; C847-F876 HydrophobicContact CB-CE1 3.81Å; C847-F876 HydrophobicContact CB-CZ 4.5Å; C847-F876 VanDerWaalsContact SG-CE1 3.58Å; C847-W877 HydrophobicContact CB-CH2 3.66Å; C847-W877 HydrophobicContact CB-CZ3 3.77Å
848	I	91.9	Very high	89.2	Confident	15 Å²	15	42.5 Å²	42.5	8%	0.077	20%	0.202	C	C	.	.	H	α-helix	trans	-61.4	-49.3	175.7	-70.9	165.1	0	0	0	110.2	A844 E845 V850 L851 Q852 W877 L904 F908	A844-I848 WeakPolarHBondContact O-CB 3.36Å; A844-I848 VanDerWaalsContact O-CG1 3.25Å; A844-I848 WeakPolarHBondContact O-CG1 3.31Å; A844-I848 PolarHBondContact O-N 2.89Å; E845-I848 WeakPolarHBondContact O-CB 3.32Å; E845-I848 PolarHBondContact O-N 3.38Å; I848-V850 VanDerWaalsContact C-N 3.31Å; I848-V850 PolarHBondContact O-N 2.72Å; I848-L851 PolarHBondContact O-N 3.16Å; I848-Q852 HydrophobicContact CG2-CG 4.28Å; I848-Q852 VanDerWaalsContact CG2-NE2 3.27Å; I848-Q852 WeakPolarHBondContact O-CB 3.49Å; I848-Q852 WeakPolarHBondContact O-CG 3.49Å; I848-Q852 PolarHBondContact O-N 3.37Å; I848-W877 HydrophobicContact CG1-CH2 4.01Å; I848-W877 HydrophobicContact CG1-CZ2 4.21Å; I848-L904 HydrophobicContact CD1-CD1 3.81Å; I848-L904 HydrophobicContact CD1-CD2 4.49Å; I848-L904 HydrophobicContact CD1-CG 3.83Å; I848-F908 HydrophobicContact CD1-CB 3.85Å; I848-F908 HydrophobicContact CD1-CG 4.18Å; I848-F908 HydrophobicContact CG1-CB 4.07Å; I848-F908 HydrophobicContact CG1-CD1 3.96Å; I848-F908 HydrophobicContact CG1-CD2 4.26Å; I848-F908 HydrophobicContact CG1-CG 3.82Å; I848-F908 HydrophobicContact CG2-CD2 3.71Å; I848-F908 HydrophobicContact CG2-CE2 4.05Å; I848-F908 HydrophobicContact CG2-CG 4.13Å
849	E	88.1	Confident	89.1	Confident	99 Å²	99	37.8 Å²	37.8	46%	0.463	19%	0.185	S	C	.	.	H	α-helix	trans	-58	-42.2	175.9	-73.5	-161	167.1	0	0	112.4	E845 L851 Q852 Q853	E845-E849 PolarHBondContact O-N 3.43Å; E849-L851 VanDerWaalsContact C-N 3.34Å; E849-L851 PolarHBondContact O-N 2.8Å; E849-Q852 PolarHBondContact O-N 3.27Å; E849-Q853 WeakPolarHBondContact O-CB 3.47Å; E849-Q853 VanDerWaalsContact O-CG 3.27Å; E849-Q853 WeakPolarHBondContact O-CG 3.25Å; E849-Q853 PolarHBondContact O-N 3.34Å
850	V	89.7	Confident	89	Confident	8 Å²	8	41.8 Å²	41.8	5%	0.048	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-41.7	179.3	158.3	0	0	0	0	111.6	R763 L818 L846 C847 I848 N854 F876	R763-V850 PolarHBondContact NH2-O 3.29Å; L818-V850 HydrophobicContact CD1-CG2 3.74Å; L818-V850 HydrophobicContact CD2-CG2 4.01Å; L818-V850 HydrophobicContact CG-CG2 4.49Å; L846-V850 WeakPolarHBondContact O-CB 3.14Å; L846-V850 VanDerWaalsContact O-CG2 3.25Å; L846-V850 WeakPolarHBondContact O-CG2 3.16Å; L846-V850 PolarHBondContact O-N 3.38Å; C847-V850 PolarHBondContact O-N 2.95Å; I848-V850 VanDerWaalsContact C-N 3.31Å; I848-V850 PolarHBondContact O-N 2.72Å; V850-N854 PolarHBondContact O-N 2.91Å; V850-N854 PolarHBondContact O-ND2 2.74Å; V850-N854 PolarHBondContact O-OD1 2.86Å; V850-F876 HydrophobicContact CB-CZ 4.42Å; V850-F876 HydrophobicContact CG1-CE2 4.05Å; V850-F876 HydrophobicContact CG1-CZ 3.81Å
851	L	90.7	Very high	88.8	Confident	14 Å²	14	42.7 Å²	42.7	7%	0.073	21%	0.211	C	C	.	.	H	α-helix	trans	-73.6	-42.4	178.2	-67.7	175.9	0	0	0	112	C847 I848 E849 Q853 N854 E855 A873 F876 W877 F908	C847-L851 WeakPolarHBondContact O-CG 3.16Å; C847-L851 PolarHBondContact O-N 3.42Å; I848-L851 PolarHBondContact O-N 3.16Å; E849-L851 VanDerWaalsContact C-N 3.34Å; E849-L851 PolarHBondContact O-N 2.8Å; L851-Q853 VanDerWaalsContact C-N 3.34Å; L851-Q853 PolarHBondContact O-N 3.08Å; L851-N854 WeakPolarHBondContact O-CA 3.24Å; L851-N854 WeakPolarHBondContact O-CB 3.29Å; L851-N854 PolarHBondContact O-N 3.28Å; L851-E855 PolarHBondContact O-N 3.46Å; L851-A873 HydrophobicContact CD1-CB 4.32Å; L851-A873 HydrophobicContact CD2-CB 4.04Å; L851-F876 HydrophobicContact CD1-CD1 4.12Å; L851-F876 HydrophobicContact CD1-CE1 4.48Å; L851-F876 HydrophobicContact CD2-CD1 4.15Å; L851-F876 HydrophobicContact CD2-CG 4.34Å; L851-F876 HydrophobicContact CG-CD1 4.21Å; L851-F876 HydrophobicContact CG-CE1 4.34Å; L851-W877 HydrophobicContact CD1-CD2 4.43Å; L851-W877 HydrophobicContact CD1-CZ2 3.66Å; L851-W877 VanDerWaalsContact CD1-NE1 3.31Å; L851-F908 HydrophobicContact CB-CZ 4.27Å; L851-F908 HydrophobicContact CD1-CE1 4.24Å
852	Q	87.9	Confident	88.6	Confident	87 Å²	87	40.5 Å²	40.5	41%	0.407	20%	0.199	S	C	.	.	H	α-helix	trans	-61.8	-38.4	174.6	-70.9	179.7	5.9	0	0	112.5	I848 E849 N854 E855 E856 F908	I848-Q852 HydrophobicContact CG2-CG 4.28Å; I848-Q852 VanDerWaalsContact CG2-NE2 3.27Å; I848-Q852 WeakPolarHBondContact O-CB 3.49Å; I848-Q852 WeakPolarHBondContact O-CG 3.49Å; I848-Q852 PolarHBondContact O-N 3.37Å; E849-Q852 PolarHBondContact O-N 3.27Å; Q852-N854 VanDerWaalsContact C-N 3.29Å; Q852-N854 PolarHBondContact O-N 3.38Å; Q852-E855 PolarHBondContact O-N 2.86Å; Q852-E856 WeakPolarHBondContact O-CB 3.5Å; Q852-E856 PolarHBondContact O-N 3.47Å; Q852-F908 HydrophobicContact CG-CE2 3.92Å
853	Q	84.9	Confident	88.4	Confident	27 Å²	27	39.3 Å²	39.3	13%	0.126	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-33.6	170.9	-76.5	175.8	34.9	0	0	112.4	E849 L851 H857	E849-Q853 WeakPolarHBondContact O-CB 3.47Å; E849-Q853 VanDerWaalsContact O-CG 3.27Å; E849-Q853 WeakPolarHBondContact O-CG 3.25Å; E849-Q853 PolarHBondContact O-N 3.34Å; L851-Q853 VanDerWaalsContact C-N 3.34Å; L851-Q853 PolarHBondContact O-N 3.08Å; Q853-H857 WeakPolarHBondContact O-CB 3.38Å; Q853-H857 PolarHBondContact O-CD2 3.23Å; Q853-H857 VanDerWaalsContact O-CD2 3.25Å; Q853-H857 PolarHBondContact O-N 3.35Å; Q853-H857 VanDerWaalsContact O-N 3.13Å
854	N	89.2	Confident	87.8	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-70.3	-42.8	177	-67.2	-21.8	0	0	0	111.1	R763 V850 L851 Q852 H858 A859	R763-N854 WeakPolarHBondContact CD-OD1 3.25Å; R763-N854 WeakPolarHBondContact CG-OD1 3.47Å; R763-N854 PolarHBondContact NE-OD1 2.94Å; V850-N854 PolarHBondContact O-N 2.91Å; V850-N854 PolarHBondContact O-ND2 2.74Å; V850-N854 PolarHBondContact O-OD1 2.86Å; L851-N854 WeakPolarHBondContact O-CA 3.24Å; L851-N854 WeakPolarHBondContact O-CB 3.29Å; L851-N854 PolarHBondContact O-N 3.28Å; Q852-N854 VanDerWaalsContact C-N 3.29Å; Q852-N854 PolarHBondContact O-N 3.38Å; N854-H858 WeakPolarHBondContact O-CA 3.44Å; N854-H858 VanDerWaalsContact O-CB 3.27Å; N854-H858 WeakPolarHBondContact O-CB 3.28Å; N854-H858 PolarHBondContact O-N 3.27Å; N854-A859 PolarHBondContact O-N 3.33Å
855	E	85.6	Confident	87.4	Confident	125 Å²	125	52.1 Å²	52.1	58%	0.584	25%	0.254	S	S	*	.	H	α-helix	trans	-59.9	-53.7	173.7	-164.9	-168.2	178.4	0	0	110.8	L851 Q852 H857 A859	L851-E855 PolarHBondContact O-N 3.46Å; Q852-E855 PolarHBondContact O-N 2.86Å; E855-H857 PolarHBondContact O-N 2.97Å; E855-A859 HydrophobicContact CG-CB 4.24Å; E855-A859 WeakPolarHBondContact O-CB 3.43Å; E855-A859 PolarHBondContact O-N 2.81Å; E855-A859 VanDerWaalsContact O-N 3.11Å
856	E	83.8	Confident	87.1	Confident	64 Å²	64	51.2 Å²	51.2	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-60.6	-40.8	-176.1	-173.2	176.6	148.5	0	0	114	K183 Q852	K183-E856 VanDerWaalsContact CD-OE2 3.3Å; K183-E856 WeakPolarHBondContact CD-OE2 3.25Å; K183-E856 WeakPolarHBondContact CE-OE2 3.31Å; K183-E856 IonicContact NZ-OE2 2.78Å; K183-E856 PolarHBondContact NZ-OE2 3.4Å; Q852-E856 WeakPolarHBondContact O-CB 3.5Å; Q852-E856 PolarHBondContact O-N 3.47Å
857	H	84.5	Confident	87	Confident	34 Å²	34	52.9 Å²	52.9	16%	0.157	26%	0.264	C	S	.	.	H	α-helix	trans	-102.8	-14.6	-170.2	-57.2	-36.7	0	0	0	114.1	F768 G769 Q853 E855	F768-H857 AromaticContact CD1-CD2 3.8Å; F768-H857 AromaticContact CD1-NE2 3.53Å; G769-H857 WeakPolarHBondContact CA-O 3.34Å; Q853-H857 WeakPolarHBondContact O-CB 3.38Å; Q853-H857 PolarHBondContact O-CD2 3.23Å; Q853-H857 VanDerWaalsContact O-CD2 3.25Å; Q853-H857 PolarHBondContact O-N 3.35Å; Q853-H857 VanDerWaalsContact O-N 3.13Å; E855-H857 PolarHBondContact O-N 2.97Å
858	H	88.6	Confident	86.8	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.028	26%	0.264	C	S	.	.	H	α-helix	trans	-132.6	-15.4	-172.8	-56.5	-76.5	0	0	0	115.4	F762 F766 L775 N854 E860 A861 F862	F762-H858 HydrophobicContact CD2-CB 4.31Å; F762-H858 AromaticContact CD2-CD2 3.7Å; F762-H858 AromaticContact CD2-CE1 3.8Å; F762-H858 AromaticContact CD2-CG 3.69Å; F762-H858 AromaticContact CD2-ND1 3.77Å; F762-H858 AromaticContact CD2-NE2 3.77Å; F762-H858 HydrophobicContact CE2-CB 4.2Å; F762-H858 AromaticContact CE2-CD2 3.59Å; F762-H858 AromaticContact CE2-CG 3.81Å; F766-H858 PolarHBondContact O-CE1 3.13Å; F766-H858 VanDerWaalsContact O-CE1 3.23Å; L775-H858 HydrophobicContact CD2-CB 4.16Å; L775-H858 WeakPolarHBondContact CD2-ND1 3.31Å; N854-H858 WeakPolarHBondContact O-CA 3.44Å; N854-H858 VanDerWaalsContact O-CB 3.27Å; N854-H858 WeakPolarHBondContact O-CB 3.28Å; N854-H858 PolarHBondContact O-N 3.27Å; H858-E860 VanDerWaalsContact C-N 3.26Å; H858-E860 PolarHBondContact O-N 3.42Å; H858-A861 WeakPolarHBondContact O-CB 3.32Å; H858-A861 PolarHBondContact O-N 2.89Å; H858-F862 WeakPolarHBondContact O-CD2 3.42Å
859	A	85.7	Confident	86.7	Confident	31 Å²	31	53.6 Å²	53.6	26%	0.256	27%	0.268	S	S	.	.	H	α-helix	trans	-57.5	-35	-178.6	0	0	0	0	0	113.7	N854 E855 A861 F862 A863 L869	N854-A859 PolarHBondContact O-N 3.33Å; E855-A859 HydrophobicContact CG-CB 4.24Å; E855-A859 WeakPolarHBondContact O-CB 3.43Å; E855-A859 PolarHBondContact O-N 2.81Å; E855-A859 VanDerWaalsContact O-N 3.11Å; A859-A861 PolarHBondContact O-N 2.88Å; A859-F862 CarbonylContact O-C 3.59Å; A859-F862 PolarHBondContact O-N 3.02Å; A859-A863 PolarHBondContact O-N 2.84Å; A859-L869 HydrophobicContact CB-CD1 4.18Å
860	E	86.8	Confident	86.8	Confident	117 Å²	117	49.7 Å²	49.7	55%	0.547	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-28.2	178.6	-157.4	-138.8	123.4	0	0	113.4	K776 H858 F862	K776-E860 IonicContact NZ-OE1 3.89Å; K776-E860 PolarHBondContact NZ-OE1 3.08Å; H858-E860 VanDerWaalsContact C-N 3.26Å; H858-E860 PolarHBondContact O-N 3.42Å; E860-F862 VanDerWaalsContact C-N 3.34Å
861	A	86.5	Confident	86.8	Confident	18 Å²	18	52.2 Å²	52.2	15%	0.149	26%	0.264	C	S	.	.	H	α-helix	trans	-74.4	-26.6	175	0	0	0	0	0	112.4	L775 K776 L779 H858 A859	L775-A861 HydrophobicContact CB-CB 4.15Å; L775-A861 HydrophobicContact CD2-CB 3.95Å; L775-A861 HydrophobicContact CG-CB 3.86Å; K776-A861 HydrophobicContact CB-CB 4.15Å; L779-A861 HydrophobicContact CD1-CB 4.34Å; L779-A861 WeakPolarHBondContact CD1-O 3.24Å; H858-A861 WeakPolarHBondContact O-CB 3.32Å; H858-A861 PolarHBondContact O-N 2.89Å; A859-A861 PolarHBondContact O-N 2.88Å
862	F	87.4	Confident	86.9	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-105.5	8.7	-179.8	-61.8	-78.2	0	0	0	113.5	L775 L779 V803 L807 H858 A859 E860 W864 W865 L869	L775-F862 HydrophobicContact CD2-CE2 3.84Å; L775-F862 HydrophobicContact CD2-CZ 4.28Å; L779-F862 HydrophobicContact CD1-CD1 4.09Å; L779-F862 HydrophobicContact CD1-CE1 3.84Å; L779-F862 HydrophobicContact CD1-CZ 4.28Å; L779-F862 HydrophobicContact CD2-CE1 4.26Å; V803-F862 HydrophobicContact CG1-CE1 3.91Å; L807-F862 HydrophobicContact CD1-CD1 4.5Å; L807-F862 HydrophobicContact CD1-CE1 4.01Å; L807-F862 HydrophobicContact CD1-CZ 4.47Å; L807-F862 HydrophobicContact CD2-CE1 4.35Å; L807-F862 HydrophobicContact CD2-CZ 3.99Å; H858-F862 WeakPolarHBondContact O-CD2 3.42Å; A859-F862 CarbonylContact O-C 3.59Å; A859-F862 PolarHBondContact O-N 3.02Å; E860-F862 VanDerWaalsContact C-N 3.34Å; F862-W864 PolarHBondContact O-N 3.14Å; F862-W865 CarbonylContact O-C 3.6Å; F862-W865 WeakPolarHBondContact O-CA 3.27Å; F862-W865 PolarHBondContact O-N 2.82Å; F862-L869 HydrophobicContact CB-CD1 3.76Å; F862-L869 HydrophobicContact CB-CG 3.85Å; F862-L869 HydrophobicContact CD2-CD1 3.84Å; F862-L869 HydrophobicContact CD2-CD2 3.77Å; F862-L869 HydrophobicContact CD2-CG 3.89Å; F862-L869 HydrophobicContact CE2-CD2 4.07Å; F862-L869 HydrophobicContact CG-CD1 4.09Å; F862-L869 HydrophobicContact CG-CD2 4.19Å; F862-L869 HydrophobicContact CG-CG 3.92Å
863	A	85	Confident	87.1	Confident	66 Å²	66	48 Å²	48	55%	0.545	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.3	-175	0	0	0	0	0	115.1	A859	A859-A863 PolarHBondContact O-N 2.84Å
864	W	79.4	Confident	87.5	Confident	214 Å²	214	48.5 Å²	48.5	81%	0.811	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-18.4	174.4	-60.7	84.8	0	0	0	113.6	F862	F862-W864 PolarHBondContact O-N 3.14Å
865	W	85.5	Confident	87.6	Confident	55 Å²	55	52.9 Å²	52.9	21%	0.208	27%	0.266	C	S	.	.			trans	-138.8	61.5	179	-57.8	-41.2	0	0	0	110.5	A796 V799 V803 F862 D867 L868	A796-W865 HydrophobicContact CB-CZ2 4.44Å; V799-W865 HydrophobicContact CB-CH2 4.24Å; V799-W865 HydrophobicContact CG1-CH2 3.87Å; V799-W865 HydrophobicContact CG1-CZ3 4.41Å; V803-W865 HydrophobicContact CG2-CZ3 4.28Å; F862-W865 CarbonylContact O-C 3.6Å; F862-W865 WeakPolarHBondContact O-CA 3.27Å; F862-W865 PolarHBondContact O-N 2.82Å; W865-D867 VanDerWaalsContact C-OD1 3.29Å; W865-D867 WeakPolarHBondContact CA-OD1 3.32Å; W865-D867 PolarHBondContact O-N 3.48Å; W865-L868 HydrophobicContact CB-CB 4.39Å; W865-L868 HydrophobicContact CB-CD1 3.79Å; W865-L868 HydrophobicContact CB-CG 3.91Å; W865-L868 HydrophobicContact CD2-CD1 4.18Å; W865-L868 HydrophobicContact CE3-CD1 3.81Å; W865-L868 HydrophobicContact CG-CD1 4.23Å; W865-L868 WeakPolarHBondContact O-CB 3.27Å; W865-L868 PolarHBondContact O-N 2.63Å
866	P	84.6	Confident	88	Confident	66 Å²	66	46.9 Å²	46.9	43%	0.429	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-25.1	-177.8	27.9	-35.9	0	0	0	112.4	L868 L869 A870 L914	P866-L868 PolarHBondContact O-N 3.28Å; P866-L869 PolarHBondContact O-N 3.31Å; P866-L869 VanDerWaalsContact O-N 3.09Å; P866-A870 PolarHBondContact O-N 2.97Å; P866-L914 HydrophobicContact CB-CD1 4.12Å
867	D	88	Confident	88.5	Confident	57 Å²	57	43.9 Å²	43.9	31%	0.305	22%	0.224	S	C	.	.	H	α-helix	trans	-59.9	-28.9	173	64.2	-46.1	0	0	0	113.1	K800 W865 A870 E871	K800-D867 WeakPolarHBondContact CE-OD2 3.41Å; K800-D867 IonicContact NZ-OD1 2.89Å; K800-D867 IonicContact NZ-OD2 3.22Å; K800-D867 PolarHBondContact NZ-OD2 3.27Å; W865-D867 VanDerWaalsContact C-OD1 3.29Å; W865-D867 WeakPolarHBondContact CA-OD1 3.32Å; W865-D867 PolarHBondContact O-N 3.48Å; D867-A870 PolarHBondContact O-N 3.47Å; D867-E871 WeakPolarHBondContact O-CB 3.46Å; D867-E871 WeakPolarHBondContact O-CG 3.5Å; D867-E871 PolarHBondContact O-N 2.93Å
868	L	89.8	Confident	89	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-69.9	-31.1	174.1	-70.8	-176.7	0	0	0	113.4	K800 V803 R804 L807 W865 P866 H872	K800-L868 HydrophobicContact CG-CD1 4.03Å; K800-L868 HydrophobicContact CG-CD2 3.9Å; K800-L868 HydrophobicContact CG-CG 4.17Å; V803-L868 HydrophobicContact CB-CD1 4.1Å; V803-L868 HydrophobicContact CG1-CD1 3.74Å; R804-L868 HydrophobicContact CB-CD2 3.89Å; L807-L868 HydrophobicContact CD1-CB 3.76Å; L807-L868 HydrophobicContact CD1-CD1 4.41Å; W865-L868 HydrophobicContact CB-CB 4.39Å; W865-L868 HydrophobicContact CB-CD1 3.79Å; W865-L868 HydrophobicContact CB-CG 3.91Å; W865-L868 HydrophobicContact CD2-CD1 4.18Å; W865-L868 HydrophobicContact CE3-CD1 3.81Å; W865-L868 HydrophobicContact CG-CD1 4.23Å; W865-L868 WeakPolarHBondContact O-CB 3.27Å; W865-L868 PolarHBondContact O-N 2.63Å; P866-L868 PolarHBondContact O-N 3.28Å; L868-H872 WeakPolarHBondContact O-CB 3.34Å; L868-H872 PolarHBondContact O-N 3.15Å
869	L	89.5	Confident	89.2	Confident	30 Å²	30	47.1 Å²	47.1	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-77.2	-34.3	174.3	-77.8	-177.3	0	0	0	111.7	A859 F862 P866 H872 A873	A859-L869 HydrophobicContact CB-CD1 4.18Å; F862-L869 HydrophobicContact CB-CD1 3.76Å; F862-L869 HydrophobicContact CB-CG 3.85Å; F862-L869 HydrophobicContact CD2-CD1 3.84Å; F862-L869 HydrophobicContact CD2-CD2 3.77Å; F862-L869 HydrophobicContact CD2-CG 3.89Å; F862-L869 HydrophobicContact CE2-CD2 4.07Å; F862-L869 HydrophobicContact CG-CD1 4.09Å; F862-L869 HydrophobicContact CG-CD2 4.19Å; F862-L869 HydrophobicContact CG-CG 3.92Å; P866-L869 PolarHBondContact O-N 3.31Å; P866-L869 VanDerWaalsContact O-N 3.09Å; L869-H872 WeakPolarHBondContact O-CB 3.07Å; L869-H872 PolarHBondContact O-N 3.4Å; L869-A873 WeakPolarHBondContact O-CB 3.26Å; L869-A873 PolarHBondContact O-N 3.31Å
870	A	89.4	Confident	89.5	Confident	16 Å²	16	45.7 Å²	45.7	13%	0.132	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-44.6	168.9	0	0	0	0	0	111.2	P866 D867 H872 A873 E874 L914 L915	P866-A870 PolarHBondContact O-N 2.97Å; D867-A870 PolarHBondContact O-N 3.47Å; A870-H872 VanDerWaalsContact C-N 3.35Å; A870-H872 PolarHBondContact O-N 2.91Å; A870-A873 PolarHBondContact O-N 3.41Å; A870-E874 WeakPolarHBondContact O-CB 3.18Å; A870-E874 WeakPolarHBondContact O-CG 3.41Å; A870-E874 PolarHBondContact O-N 3.27Å; A870-L914 HydrophobicContact CB-CB 3.74Å; A870-L914 HydrophobicContact CB-CD1 4.11Å; A870-L915 HydrophobicContact CB-CD2 4.42Å
871	E	89.8	Confident	89.8	Confident	62 Å²	62	41.1 Å²	41.1	29%	0.29	22%	0.219	S	C	.	.	H	α-helix	trans	-60	-40.7	172.1	-78.6	-173.5	-148.3	0	0	112.7	R804 D867 K875	R804-E871 WeakPolarHBondContact CD-OE2 3.39Å; R804-E871 WeakPolarHBondContact CG-OE2 3.31Å; R804-E871 IonicContact CZ-OE1 3.71Å; R804-E871 IonicContact CZ-OE2 3.63Å; R804-E871 IonicContact NE-OE1 2.67Å; R804-E871 PolarHBondContact NE-OE1 3.37Å; R804-E871 IonicContact NE-OE2 2.71Å; R804-E871 PolarHBondContact NE-OE2 3.36Å; R804-E871 IonicContact NH2-OE1 3.88Å; R804-E871 PolarHBondContact NH2-OE1 3Å; R804-E871 IonicContact NH2-OE2 3.95Å; D867-E871 WeakPolarHBondContact O-CB 3.46Å; D867-E871 WeakPolarHBondContact O-CG 3.5Å; D867-E871 PolarHBondContact O-N 2.93Å; E871-K875 WeakPolarHBondContact O-CB 3.29Å; E871-K875 WeakPolarHBondContact O-CG 3.5Å; E871-K875 PolarHBondContact O-N 3.1Å
872	H	93.1	Very high	90	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-47	173.4	170.4	-78.8	0	0	0	111.6	F762 L807 A811 N814 L868 L869 A870 K875 F876	F762-H872 AromaticContact CE1-NE2 3.99Å; L807-H872 HydrophobicContact CB-CB 4.26Å; L807-H872 PolarHBondContact O-CD2 3.43Å; A811-H872 PolarHBondContact N-NE2 3.44Å; N814-H872 PolarHBondContact ND2-NE2 3.12Å; L868-H872 WeakPolarHBondContact O-CB 3.34Å; L868-H872 PolarHBondContact O-N 3.15Å; L869-H872 WeakPolarHBondContact O-CB 3.07Å; L869-H872 PolarHBondContact O-N 3.4Å; A870-H872 VanDerWaalsContact C-N 3.35Å; A870-H872 PolarHBondContact O-N 2.91Å; H872-K875 PolarHBondContact O-N 2.71Å; H872-F876 WeakPolarHBondContact O-CB 3.25Å; H872-F876 PolarHBondContact O-N 2.72Å
873	A	92.4	Very high	90.2	Very high	8 Å²	8	46.6 Å²	46.6	7%	0.066	25%	0.249	C	C	.	.	H	α-helix	trans	-67.7	-42	-178.9	0	0	0	0	0	112.2	L851 L869 A870 K875 F876 W877 L915	L851-A873 HydrophobicContact CD1-CB 4.32Å; L851-A873 HydrophobicContact CD2-CB 4.04Å; L869-A873 WeakPolarHBondContact O-CB 3.26Å; L869-A873 PolarHBondContact O-N 3.31Å; A870-A873 PolarHBondContact O-N 3.41Å; A873-K875 VanDerWaalsContact C-N 3.31Å; A873-K875 PolarHBondContact O-N 2.95Å; A873-F876 WeakPolarHBondContact O-CB 3.45Å; A873-F876 PolarHBondContact O-N 2.93Å; A873-W877 WeakPolarHBondContact O-CB 3.28Å; A873-W877 PolarHBondContact O-N 3.43Å; A873-L915 HydrophobicContact CB-CD1 3.83Å; A873-L915 HydrophobicContact CB-CD2 4.03Å
874	E	92.4	Very high	90.5	Very high	38 Å²	38	43.5 Å²	43.5	18%	0.178	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-38.7	171.6	-76.2	-94.1	-127	0	0	112.1	A870 A878 L915 G918 K919 F920	A870-E874 WeakPolarHBondContact O-CB 3.18Å; A870-E874 WeakPolarHBondContact O-CG 3.41Å; A870-E874 PolarHBondContact O-N 3.27Å; E874-A878 VanDerWaalsContact O-CB 3.23Å; E874-A878 WeakPolarHBondContact O-CB 3.33Å; E874-A878 PolarHBondContact O-N 2.89Å; E874-L915 HydrophobicContact CG-CD2 3.84Å; E874-G918 WeakPolarHBondContact OE1-CA 3.35Å; E874-K919 PolarHBondContact OE1-N 3.02Å; E874-K919 PolarHBondContact OE2-N 3.09Å; E874-F920 PolarHBondContact OE2-N 3.11Å
875	K	92.8	Very high	91.1	Very high	96 Å²	96	35.1 Å²	35.1	42%	0.417	19%	0.194	S	C	.	.	H	α-helix	trans	-68.6	-35.2	174.9	-71.7	-83.4	175.6	157.9	0	112.7	E808 A811 E871 H872 A873 L879	E808-K875 HydrophobicContact CG-CD 4.26Å; E808-K875 HydrophobicContact CG-CG 4.37Å; E808-K875 VanDerWaalsContact OE1-CE 3.28Å; E808-K875 WeakPolarHBondContact OE1-CE 3.45Å; E808-K875 IonicContact OE1-NZ 2.74Å; E808-K875 PolarHBondContact OE1-NZ 2.99Å; A811-K875 HydrophobicContact CB-CB 3.93Å; E871-K875 WeakPolarHBondContact O-CB 3.29Å; E871-K875 WeakPolarHBondContact O-CG 3.5Å; E871-K875 PolarHBondContact O-N 3.1Å; H872-K875 PolarHBondContact O-N 2.71Å; A873-K875 VanDerWaalsContact C-N 3.31Å; A873-K875 PolarHBondContact O-N 2.95Å; K875-L879 PolarHBondContact O-N 2.87Å
876	F	93.7	Very high	91.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-70.5	-45.6	176.1	-176.5	-88.4	0	0	0	110.9	A811 N814 Y815 L818 C847 V850 L851 H872 A873 A878 L879 F880	A811-F876 HydrophobicContact CB-CB 4.16Å; N814-F876 HydrophobicContact CB-CD2 4.23Å; N814-F876 HydrophobicContact CB-CE2 3.9Å; Y815-F876 HydrophobicContact CD2-CE1 4.37Å; Y815-F876 HydrophobicContact CD2-CE2 4.16Å; Y815-F876 HydrophobicContact CD2-CZ 4.06Å; L818-F876 HydrophobicContact CD2-CZ 4.03Å; C847-F876 HydrophobicContact CB-CE1 3.81Å; C847-F876 HydrophobicContact CB-CZ 4.5Å; C847-F876 VanDerWaalsContact SG-CE1 3.58Å; V850-F876 HydrophobicContact CB-CZ 4.42Å; V850-F876 HydrophobicContact CG1-CE2 4.05Å; V850-F876 HydrophobicContact CG1-CZ 3.81Å; L851-F876 HydrophobicContact CD1-CD1 4.12Å; L851-F876 HydrophobicContact CD1-CE1 4.48Å; L851-F876 HydrophobicContact CD2-CD1 4.15Å; L851-F876 HydrophobicContact CD2-CG 4.34Å; L851-F876 HydrophobicContact CG-CD1 4.21Å; L851-F876 HydrophobicContact CG-CE1 4.34Å; H872-F876 WeakPolarHBondContact O-CB 3.25Å; H872-F876 PolarHBondContact O-N 2.72Å; A873-F876 WeakPolarHBondContact O-CB 3.45Å; A873-F876 PolarHBondContact O-N 2.93Å; F876-A878 PolarHBondContact O-N 3.35Å; F876-L879 WeakPolarHBondContact O-CB 3.37Å; F876-L879 PolarHBondContact O-N 3.43Å; F876-F880 PolarHBondContact O-N 3.37Å
877	W	94.5	Very high	91.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-37.9	174.4	-75.3	126.7	0	0	0	113	C847 I848 L851 A873 L879 F880 T881 L905 F908 F920	C847-W877 HydrophobicContact CB-CH2 3.66Å; C847-W877 HydrophobicContact CB-CZ3 3.77Å; I848-W877 HydrophobicContact CG1-CH2 4.01Å; I848-W877 HydrophobicContact CG1-CZ2 4.21Å; L851-W877 HydrophobicContact CD1-CD2 4.43Å; L851-W877 HydrophobicContact CD1-CZ2 3.66Å; L851-W877 VanDerWaalsContact CD1-NE1 3.31Å; A873-W877 WeakPolarHBondContact O-CB 3.28Å; A873-W877 PolarHBondContact O-N 3.43Å; W877-L879 PolarHBondContact O-N 3.18Å; W877-F880 HydrophobicContact CE3-CB 3.98Å; W877-F880 AromaticContact CE3-CD1 3.68Å; W877-F880 HydrophobicContact CE3-CD1 3.68Å; W877-F880 HydrophobicContact CE3-CE1 4.41Å; W877-F880 AromaticContact CE3-CG 3.91Å; W877-F880 HydrophobicContact CE3-CG 3.91Å; W877-F880 HydrophobicContact CZ3-CB 4.42Å; W877-F880 AromaticContact CZ3-CD1 3.76Å; W877-F880 HydrophobicContact CZ3-CD1 3.76Å; W877-F880 HydrophobicContact CZ3-CD2 4.44Å; W877-F880 HydrophobicContact CZ3-CE1 4.11Å; W877-F880 AromaticContact CZ3-CG 3.95Å; W877-F880 HydrophobicContact CZ3-CG 3.95Å; W877-F880 CarbonylContact O-C 3.22Å; W877-F880 WeakPolarHBondContact O-CA 3.31Å; W877-F880 WeakPolarHBondContact O-CB 3.35Å; W877-F880 PolarHBondContact O-N 3.01Å; W877-T881 PolarHBondContact O-N 3.37Å; W877-T881 PolarHBondContact O-OG1 3.03Å; W877-T881 VanDerWaalsContact O-OG1 3.07Å; W877-L905 HydrophobicContact CH2-CD2 3.63Å; W877-L905 HydrophobicContact CZ2-CD2 4.5Å; W877-L905 HydrophobicContact CZ3-CD2 3.64Å; W877-F908 AromaticContact CZ2-CD1 3.86Å; W877-F908 HydrophobicContact CZ2-CD1 3.86Å; W877-F908 AromaticContact CZ2-CE1 3.79Å; W877-F908 HydrophobicContact CZ2-CE1 3.79Å; W877-F920 HydrophobicContact CB-CB 3.74Å; W877-F920 HydrophobicContact CB-CD1 3.68Å; W877-F920 HydrophobicContact CB-CD2 3.97Å; W877-F920 HydrophobicContact CB-CE1 4.26Å; W877-F920 HydrophobicContact CB-CG 3.52Å; W877-F920 AromaticContact CD2-CD1 3.8Å; W877-F920 HydrophobicContact CD2-CD1 3.8Å; W877-F920 AromaticContact CD2-CE1 3.71Å; W877-F920 HydrophobicContact CD2-CE1 3.71Å; W877-F920 HydrophobicContact CD2-CZ 4.37Å; W877-F920 HydrophobicContact CE3-CD1 4.12Å; W877-F920 AromaticContact CE3-CE1 3.57Å; W877-F920 HydrophobicContact CE3-CE1 3.57Å; W877-F920 AromaticContact CE3-CZ 3.84Å; W877-F920 HydrophobicContact CE3-CZ 3.84Å; W877-F920 HydrophobicContact CG-CB 4.38Å; W877-F920 AromaticContact CG-CD1 3.61Å; W877-F920 HydrophobicContact CG-CD1 3.61Å; W877-F920 HydrophobicContact CG-CE1 4.02Å; W877-F920 AromaticContact CG-CG 4Å; W877-F920 HydrophobicContact CG-CG 4Å; W877-F920 HydrophobicContact CZ3-CE1 4.19Å; W877-F920 HydrophobicContact CZ3-CZ 4.43Å
878	A	93	Very high	91.6	Very high	58 Å²	58	31.5 Å²	31.5	48%	0.479	18%	0.178	S	C	.	.	H	α-helix	trans	-65.7	-15	175.1	0	0	0	0	0	114.4	E874 F876	E874-A878 VanDerWaalsContact O-CB 3.23Å; E874-A878 WeakPolarHBondContact O-CB 3.33Å; E874-A878 PolarHBondContact O-N 2.89Å; F876-A878 PolarHBondContact O-N 3.35Å
879	L	92.8	Very high	91.6	Very high	51 Å²	51	39.8 Å²	39.8	27%	0.267	22%	0.217	S	C	.	.	H	α-helix	trans	-82.5	-46.5	166.9	-64	167.8	0	0	0	110.2	L812 Y815 K875 F876 W877 T881 V882	L812-L879 HydrophobicContact CB-CD1 4.28Å; L812-L879 HydrophobicContact CD1-CD1 3.95Å; L812-L879 HydrophobicContact CD1-CD2 4.22Å; Y815-L879 HydrophobicContact CD1-CB 3.61Å; Y815-L879 HydrophobicContact CD1-CD1 4.12Å; Y815-L879 HydrophobicContact CD1-CG 4.43Å; Y815-L879 HydrophobicContact CD2-CB 4.25Å; Y815-L879 HydrophobicContact CE1-CB 3.84Å; Y815-L879 HydrophobicContact CE2-CB 4.48Å; Y815-L879 HydrophobicContact CG-CB 3.83Å; Y815-L879 HydrophobicContact CG-CD1 4.07Å; K875-L879 PolarHBondContact O-N 2.87Å; F876-L879 WeakPolarHBondContact O-CB 3.37Å; F876-L879 PolarHBondContact O-N 3.43Å; W877-L879 PolarHBondContact O-N 3.18Å; L879-T881 PolarHBondContact O-N 2.99Å; L879-V882 PolarHBondContact O-N 3.32Å; L879-V882 VanDerWaalsContact O-N 3.1Å
880	F	93.9	Very high	91.5	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.2	-35.2	173.8	176	-94.6	0	0	0	113.4	Y815 I840 L843 A844 F876 W877 V882 D883 M884 L901 L905 F920	Y815-F880 HydrophobicContact CE2-CB 3.83Å; Y815-F880 HydrophobicContact CE2-CD2 4.44Å; Y815-F880 WeakPolarHBondContact OH-CA 3.36Å; I840-F880 HydrophobicContact CG2-CE2 4.22Å; I840-F880 HydrophobicContact CG2-CZ 3.87Å; L843-F880 HydrophobicContact CB-CE2 4.11Å; L843-F880 HydrophobicContact CD2-CD2 3.63Å; L843-F880 HydrophobicContact CD2-CE2 3.8Å; L843-F880 HydrophobicContact CG-CD2 3.83Å; L843-F880 HydrophobicContact CG-CE2 3.78Å; A844-F880 HydrophobicContact CB-CE2 4.19Å; A844-F880 HydrophobicContact CB-CZ 3.85Å; F876-F880 PolarHBondContact O-N 3.37Å; W877-F880 HydrophobicContact CE3-CB 3.98Å; W877-F880 AromaticContact CE3-CD1 3.68Å; W877-F880 HydrophobicContact CE3-CD1 3.68Å; W877-F880 HydrophobicContact CE3-CE1 4.41Å; W877-F880 AromaticContact CE3-CG 3.91Å; W877-F880 HydrophobicContact CE3-CG 3.91Å; W877-F880 HydrophobicContact CZ3-CB 4.42Å; W877-F880 AromaticContact CZ3-CD1 3.76Å; W877-F880 HydrophobicContact CZ3-CD1 3.76Å; W877-F880 HydrophobicContact CZ3-CD2 4.44Å; W877-F880 HydrophobicContact CZ3-CE1 4.11Å; W877-F880 AromaticContact CZ3-CG 3.95Å; W877-F880 HydrophobicContact CZ3-CG 3.95Å; W877-F880 CarbonylContact O-C 3.22Å; W877-F880 WeakPolarHBondContact O-CA 3.31Å; W877-F880 WeakPolarHBondContact O-CB 3.35Å; W877-F880 PolarHBondContact O-N 3.01Å; F880-V882 PolarHBondContact O-N 3.45Å; F880-D883 PolarHBondContact O-N 2.83Å; F880-M884 HydrophobicContact CD1-CB 4.11Å; F880-M884 HydrophobicContact CD1-SD 4.38Å; F880-M884 HydrophobicContact CE1-CB 3.76Å; F880-M884 HydrophobicContact CE1-CG 3.92Å; F880-M884 HydrophobicContact CE1-SD 3.73Å; F880-M884 HydrophobicContact CZ-CB 4.17Å; F880-M884 HydrophobicContact CZ-CG 4.35Å; F880-M884 VanDerWaalsContact O-CB 3.32Å; F880-M884 WeakPolarHBondContact O-CB 3.47Å; F880-M884 PolarHBondContact O-N 3.23Å; F880-L901 HydrophobicContact CZ-CD1 4.5Å; F880-L905 HydrophobicContact CE1-CD1 3.97Å; F880-L905 HydrophobicContact CE1-CD2 4.3Å; F880-L905 HydrophobicContact CZ-CD1 4.48Å; F880-F920 HydrophobicContact CD1-CE2 4.04Å; F880-F920 AromaticContact CD1-CZ 3.71Å; F880-F920 HydrophobicContact CD1-CZ 3.71Å; F880-F920 AromaticContact CE1-CZ 3.96Å; F880-F920 HydrophobicContact CE1-CZ 3.96Å
881	T	93.1	Very high	91.4	Very high	21 Å²	21	40.7 Å²	40.7	13%	0.129	22%	0.224	C	C	.	.	H	α-helix	trans	-49.4	-40.8	173.8	-60.8	0	0	0	0	113.1	W877 L879 D883 M884 D885 F920 H923	W877-T881 PolarHBondContact O-N 3.37Å; W877-T881 PolarHBondContact O-OG1 3.03Å; W877-T881 VanDerWaalsContact O-OG1 3.07Å; L879-T881 PolarHBondContact O-N 2.99Å; T881-D883 PolarHBondContact O-N 2.69Å; T881-M884 PolarHBondContact O-N 2.95Å; T881-D885 WeakPolarHBondContact CG2-OD2 3.47Å; T881-D885 VanDerWaalsContact O-CB 3.28Å; T881-D885 WeakPolarHBondContact O-CB 3.35Å; T881-D885 PolarHBondContact O-N 3.09Å; T881-F920 VanDerWaalsContact OG1-CD2 3.31Å; T881-F920 WeakPolarHBondContact OG1-CD2 3.5Å; T881-F920 WeakPolarHBondContact OG1-CE2 3.49Å; T881-H923 VanDerWaalsContact CG2-NE2 3.28Å; T881-H923 WeakPolarHBondContact CG2-NE2 3.13Å
882	V	90.6	Very high	91.1	Very high	89 Å²	89	41.8 Å²	41.8	54%	0.539	24%	0.236	S	C	.	.	H	α-helix	trans	-65.8	-44.3	-174.8	-176.8	0	0	0	0	111.2	L879 F880 T886	L879-V882 PolarHBondContact O-N 3.32Å; L879-V882 VanDerWaalsContact O-N 3.1Å; F880-V882 PolarHBondContact O-N 3.45Å; V882-T886 WeakPolarHBondContact O-CB 3.4Å; V882-T886 PolarHBondContact O-N 2.76Å; V882-T886 PolarHBondContact O-OG1 3.26Å
883	D	90.3	Very high	90.2	Very high	47 Å²	47	48.2 Å²	48.2	25%	0.251	27%	0.266	S	S	.	.	H	α-helix	trans	-75.5	-36.3	178.8	-70.7	-12.1	0	0	0	111.4	Y815 I840 F880 T881 A887	Y815-D883 PolarHBondContact OH-OD2 3.15Å; I840-D883 HydrophobicContact CD1-CB 3.83Å; F880-D883 PolarHBondContact O-N 2.83Å; T881-D883 PolarHBondContact O-N 2.69Å; D883-A887 WeakPolarHBondContact O-CB 3.38Å; D883-A887 PolarHBondContact O-N 3.15Å; D883-A887 VanDerWaalsContact O-N 3.07Å
884	M	92.1	Very high	89.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-55.2	174.7	-174.3	-168.8	75.8	0	0	111.8	I840 F880 T881 T886 A887 L888 L901 L905 F920 L924 I927	I840-M884 HydrophobicContact CG2-CG 4.43Å; F880-M884 HydrophobicContact CD1-CB 4.11Å; F880-M884 HydrophobicContact CD1-SD 4.38Å; F880-M884 HydrophobicContact CE1-CB 3.76Å; F880-M884 HydrophobicContact CE1-CG 3.92Å; F880-M884 HydrophobicContact CE1-SD 3.73Å; F880-M884 HydrophobicContact CZ-CB 4.17Å; F880-M884 HydrophobicContact CZ-CG 4.35Å; F880-M884 VanDerWaalsContact O-CB 3.32Å; F880-M884 WeakPolarHBondContact O-CB 3.47Å; F880-M884 PolarHBondContact O-N 3.23Å; T881-M884 PolarHBondContact O-N 2.95Å; M884-T886 VanDerWaalsContact C-N 3.31Å; M884-T886 PolarHBondContact O-N 3.08Å; M884-A887 PolarHBondContact O-N 2.91Å; M884-A887 VanDerWaalsContact O-N 3.11Å; M884-L888 HydrophobicContact CE-CD1 4.28Å; M884-L888 HydrophobicContact CG-CD1 3.9Å; M884-L888 HydrophobicContact CG-CG 4.47Å; M884-L888 WeakPolarHBondContact O-CG 3.48Å; M884-L888 PolarHBondContact O-N 2.8Å; M884-L888 HydrophobicContact SD-CD1 4.41Å; M884-L901 HydrophobicContact CG-CD2 4.18Å; M884-L905 HydrophobicContact SD-CD1 4.01Å; M884-F920 HydrophobicContact CE-CE2 4.21Å; M884-F920 HydrophobicContact SD-CE2 4.22Å; M884-F920 HydrophobicContact SD-CZ 4.14Å; M884-L924 HydrophobicContact CE-CD1 4.48Å; M884-L924 HydrophobicContact SD-CD1 4.17Å; M884-I927 HydrophobicContact CE-CD1 4.16Å
885	D	92.3	Very high	89	Confident	39 Å²	39	50.5 Å²	50.5	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-43.9	-178.8	-68.1	-0.4	0	0	0	110	T881 A887 L888 E889 H923 I927	T881-D885 WeakPolarHBondContact CG2-OD2 3.47Å; T881-D885 VanDerWaalsContact O-CB 3.28Å; T881-D885 WeakPolarHBondContact O-CB 3.35Å; T881-D885 PolarHBondContact O-N 3.09Å; D885-A887 VanDerWaalsContact C-N 3.29Å; D885-A887 PolarHBondContact O-N 2.68Å; D885-L888 PolarHBondContact O-N 2.99Å; D885-L888 VanDerWaalsContact O-N 3.14Å; D885-E889 WeakPolarHBondContact O-CB 3.37Å; D885-E889 WeakPolarHBondContact O-CG 3.42Å; D885-E889 PolarHBondContact O-N 2.83Å; D885-H923 VanDerWaalsContact CG-NE2 3.31Å; D885-H923 IonicContact OD1-CD2 2.79Å; D885-H923 IonicContact OD1-CE1 3.44Å; D885-H923 IonicContact OD1-NE2 3.52Å; D885-H923 PolarHBondContact OD1-NE2 3.31Å; D885-H923 IonicContact OD2-CE1 3.44Å; D885-H923 PolarHBondContact OD2-CE1 3.3Å; D885-H923 IonicContact OD2-NE2 3.47Å; D885-H923 PolarHBondContact OD2-NE2 3.13Å; D885-I927 WeakPolarHBondContact OD1-CD1 3.5Å
886	T	89.8	Confident	88.7	Confident	77 Å²	77	49.1 Å²	49.1	47%	0.472	27%	0.272	S	S	.	.	H	α-helix	trans	-59.4	-36.5	176.1	-59.7	0	0	0	0	112.9	V882 M884 A890	V882-T886 WeakPolarHBondContact O-CB 3.4Å; V882-T886 PolarHBondContact O-N 2.76Å; V882-T886 PolarHBondContact O-OG1 3.26Å; M884-T886 VanDerWaalsContact C-N 3.31Å; M884-T886 PolarHBondContact O-N 3.08Å; T886-A890 PolarHBondContact O-N 2.96Å
887	A	89	Confident	88.3	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-78.6	-29.8	176.6	0	0	0	0	0	113.2	K836 I840 D883 M884 D885 Q891	K836-A887 HydrophobicContact CB-CB 4.33Å; I840-A887 HydrophobicContact CB-CB 4.37Å; I840-A887 HydrophobicContact CD1-CB 4.46Å; I840-A887 HydrophobicContact CG1-CB 3.46Å; I840-A887 VanDerWaalsContact CG1-CB 3.46Å; D883-A887 WeakPolarHBondContact O-CB 3.38Å; D883-A887 PolarHBondContact O-N 3.15Å; D883-A887 VanDerWaalsContact O-N 3.07Å; M884-A887 PolarHBondContact O-N 2.91Å; M884-A887 VanDerWaalsContact O-N 3.11Å; D885-A887 VanDerWaalsContact C-N 3.29Å; D885-A887 PolarHBondContact O-N 2.68Å; A887-Q891 WeakPolarHBondContact O-CG 3.37Å; A887-Q891 PolarHBondContact O-NE2 3.08Å
888	L	89.6	Confident	88.1	Confident	24 Å²	24	54.5 Å²	54.5	13%	0.126	30%	0.301	C	S	.	.	H	α-helix	trans	-75.8	-42.4	175.9	-68.9	174.3	0	0	0	111.8	L837 M884 D885 A890 Q891 L901 I927 F928	L837-L888 HydrophobicContact CD1-CD2 4.18Å; M884-L888 HydrophobicContact CE-CD1 4.28Å; M884-L888 HydrophobicContact CG-CD1 3.9Å; M884-L888 HydrophobicContact CG-CG 4.47Å; M884-L888 WeakPolarHBondContact O-CG 3.48Å; M884-L888 PolarHBondContact O-N 2.8Å; M884-L888 HydrophobicContact SD-CD1 4.41Å; D885-L888 PolarHBondContact O-N 2.99Å; D885-L888 VanDerWaalsContact O-N 3.14Å; L888-A890 PolarHBondContact O-N 2.77Å; L888-Q891 WeakPolarHBondContact O-CB 3.38Å; L888-Q891 PolarHBondContact O-N 2.71Å; L888-L901 HydrophobicContact CD2-CD2 4.42Å; L888-I927 HydrophobicContact CD1-CG2 4.03Å; L888-F928 HydrophobicContact CD1-CE2 3.9Å; L888-F928 HydrophobicContact CD1-CZ 4.2Å; L888-F928 HydrophobicContact CD2-CZ 4.13Å
889	E	88.6	Confident	88.1	Confident	174 Å²	174	52.1 Å²	52.1	81%	0.813	28%	0.28	S	S	*	.	H	α-helix	trans	-60	-26.4	172.3	-74.6	-169.4	168.3	0	0	112.8	D885 Q891	D885-E889 WeakPolarHBondContact O-CB 3.37Å; D885-E889 WeakPolarHBondContact O-CG 3.42Å; D885-E889 PolarHBondContact O-N 2.83Å; E889-Q891 VanDerWaalsContact C-N 3.28Å; E889-Q891 PolarHBondContact O-N 3.45Å
890	A	87.5	Confident	88	Confident	36 Å²	36	52.6 Å²	52.6	30%	0.298	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.6	176.6	0	0	0	0	0	114.2	P833 K836 T886 L888	P833-A890 WeakPolarHBondContact CB-O 3.45Å; P833-A890 WeakPolarHBondContact CG-O 3.34Å; K836-A890 HydrophobicContact CD-CB 4.43Å; T886-A890 PolarHBondContact O-N 2.96Å; L888-A890 PolarHBondContact O-N 2.77Å
891	Q	87.1	Confident	87.9	Confident	29 Å²	29	52.6 Å²	52.6	14%	0.136	29%	0.286	C	S	.	.	S	Bend	trans	-82.6	152.7	-178.4	-55.6	-49.5	-41.4	0	0	112.9	P833 L837 A887 L888 E889	P833-Q891 PolarHBondContact O-NE2 3.04Å; L837-Q891 HydrophobicContact CD2-CG 4.47Å; A887-Q891 WeakPolarHBondContact O-CG 3.37Å; A887-Q891 PolarHBondContact O-NE2 3.08Å; L888-Q891 WeakPolarHBondContact O-CB 3.38Å; L888-Q891 PolarHBondContact O-N 2.71Å; E889-Q891 VanDerWaalsContact C-N 3.28Å; E889-Q891 PolarHBondContact O-N 3.45Å
892	P	84.3	Confident	87.9	Confident	85 Å²	85	51.6 Å²	51.6	55%	0.552	28%	0.28	S	S	*	.			trans	-58.9	144	166.5	-21.4	33.1	0	0	0	111.9	D894 S895	P892-D894 PolarHBondContact O-N 2.93Å; P892-S895 WeakPolarHBondContact O-CB 3.42Å; P892-S895 PolarHBondContact O-N 3.25Å
893	Q	73.9	Confident	87.9	Confident	139 Å²	139	49.7 Å²	49.7	65%	0.65	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.6	-178.4	-68.9	-165.3	-1.3	0	0	115.7	R934	Q893-R934 PolarHBondContact O-NE 3.47Å
894	D	78.3	Confident	88.1	Confident	83 Å²	83	49.9 Å²	49.9	44%	0.444	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	29.5	178.7	-57.6	-72.9	0	0	0	111	P892 W896 R934 L938	P892-D894 PolarHBondContact O-N 2.93Å; D894-W896 HydrophobicContact CB-CZ2 4.23Å; D894-W896 PolarHBondContact O-NE1 3.36Å; D894-R934 IonicContact OD1-CZ 3.38Å; D894-R934 IonicContact OD1-NE 2.83Å; D894-R934 PolarHBondContact OD1-NE 2.98Å; D894-R934 IonicContact OD1-NH2 3.18Å; D894-R934 PolarHBondContact OD1-NH2 3.41Å; D894-R934 IonicContact OD2-CZ 3.1Å; D894-R934 IonicContact OD2-NH2 3.85Å; D894-R934 PolarHBondContact OD2-NH2 2.93Å; D894-L938 WeakPolarHBondContact OD1-CD1 3.43Å
895	S	82.5	Confident	88.1	Confident	12 Å²	12	49.9 Å²	49.9	8%	0.084	27%	0.266	C	S	.	.			trans	-89.5	137	166	171.4	0	0	0	0	110.3	P892 D897	P892-S895 WeakPolarHBondContact O-CB 3.42Å; P892-S895 PolarHBondContact O-N 3.25Å; S895-D897 PolarHBondContact OG-N 3.04Å; S895-D897 PolarHBondContact OG-OD2 3.01Å
896	W	86.4	Confident	88.1	Confident	67 Å²	67	48 Å²	48	25%	0.254	26%	0.256	S	S	.	.			trans	-112.4	1.7	-180	-46.1	117.8	0	0	0	112	D894 S898 F899 R934 Y935 L938	D894-W896 HydrophobicContact CB-CZ2 4.23Å; D894-W896 PolarHBondContact O-NE1 3.36Å; W896-S898 PolarHBondContact O-N 3.46Å; W896-F899 HydrophobicContact CB-CD2 3.89Å; W896-F899 HydrophobicContact CB-CE2 3.81Å; W896-F899 HydrophobicContact CD2-CE2 4.15Å; W896-F899 AromaticContact CE3-CE2 3.58Å; W896-F899 HydrophobicContact CE3-CE2 3.58Å; W896-F899 AromaticContact CE3-CZ 3.85Å; W896-F899 HydrophobicContact CE3-CZ 3.85Å; W896-F899 HydrophobicContact CG-CE2 4.27Å; W896-F899 HydrophobicContact CZ3-CZ 4.41Å; W896-F899 VanDerWaalsContact O-CD2 3.25Å; W896-F899 WeakPolarHBondContact O-CD2 3.25Å; W896-F899 PolarHBondContact O-N 3.05Å; W896-R934 HydrophobicContact CH2-CB 4.35Å; W896-R934 HydrophobicContact CH2-CG 4.09Å; W896-Y935 AromaticContact CD2-CD2 3.57Å; W896-Y935 HydrophobicContact CD2-CD2 3.57Å; W896-Y935 HydrophobicContact CD2-CE2 4.26Å; W896-Y935 HydrophobicContact CD2-CG 4.38Å; W896-Y935 AromaticContact CE2-CD2 3.69Å; W896-Y935 AromaticContact CE3-CD2 3.93Å; W896-Y935 HydrophobicContact CE3-CD2 3.93Å; W896-Y935 HydrophobicContact CE3-CG 4.3Å; W896-Y935 AromaticContact CG-CD2 3.92Å; W896-Y935 HydrophobicContact CG-CD2 3.92Å; W896-Y935 HydrophobicContact CG-CE2 4.13Å; W896-Y935 HydrophobicContact CH2-CD2 4.44Å; W896-Y935 HydrophobicContact CZ2-CD2 4.15Å; W896-Y935 HydrophobicContact CZ3-CD2 4.34Å; W896-L938 HydrophobicContact CH2-CD1 4.03Å; W896-L938 HydrophobicContact CZ2-CD1 3.72Å
897	D	85.8	Confident	88.1	Confident	108 Å²	108	47 Å²	47	58%	0.578	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-9.6	-174.7	-51	-48.3	0	0	0	112.5	L837 S895 P900	L837-D897 HydrophobicContact CD2-CB 3.83Å; L837-D897 WeakPolarHBondContact CD2-O 3.26Å; S895-D897 PolarHBondContact OG-N 3.04Å; S895-D897 PolarHBondContact OG-OD2 3.01Å; D897-P900 WeakPolarHBondContact O-CD 3.43Å
898	S	89.9	Confident	88.2	Confident	5 Å²	5	48.3 Å²	48.3	4%	0.035	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-13.3	-179.5	58.1	0	0	0	0	114.4	W896 P900 L901 F902 F928	W896-S898 PolarHBondContact O-N 3.46Å; S898-P900 VanDerWaalsContact C-CD 3.5Å; S898-L901 WeakPolarHBondContact O-CB 3.48Å; S898-L901 PolarHBondContact O-N 2.86Å; S898-L901 VanDerWaalsContact O-N 3.13Å; S898-F902 PolarHBondContact O-N 3.3Å; S898-F928 WeakPolarHBondContact O-CE1 3.3Å
899	F	91.6	Very high	88.2	Confident	7 Å²	7	47.2 Å²	47.2	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-60.6	-35.3	177.4	-67.5	-54.1	0	0	0	114.5	W896 L901 F902 Q903 F928 L931 V932 Y935 F979 L983	W896-F899 HydrophobicContact CB-CD2 3.89Å; W896-F899 HydrophobicContact CB-CE2 3.81Å; W896-F899 HydrophobicContact CD2-CE2 4.15Å; W896-F899 AromaticContact CE3-CE2 3.58Å; W896-F899 HydrophobicContact CE3-CE2 3.58Å; W896-F899 AromaticContact CE3-CZ 3.85Å; W896-F899 HydrophobicContact CE3-CZ 3.85Å; W896-F899 HydrophobicContact CG-CE2 4.27Å; W896-F899 HydrophobicContact CZ3-CZ 4.41Å; W896-F899 VanDerWaalsContact O-CD2 3.25Å; W896-F899 WeakPolarHBondContact O-CD2 3.25Å; W896-F899 PolarHBondContact O-N 3.05Å; F899-L901 VanDerWaalsContact C-N 3.28Å; F899-L901 PolarHBondContact O-N 3.3Å; F899-F902 WeakPolarHBondContact O-CB 3.49Å; F899-F902 PolarHBondContact O-N 3.18Å; F899-Q903 WeakPolarHBondContact O-CG 3.28Å; F899-Q903 PolarHBondContact O-N 3.1Å; F899-F928 AromaticContact CD1-CD1 3.99Å; F899-F928 HydrophobicContact CD1-CD1 3.99Å; F899-F928 HydrophobicContact CD1-CE1 4.22Å; F899-F928 HydrophobicContact CE1-CD1 4.15Å; F899-L931 HydrophobicContact CE1-CB 4.21Å; F899-L931 HydrophobicContact CZ-CB 4.34Å; F899-V932 HydrophobicContact CD1-CG2 4.48Å; F899-V932 HydrophobicContact CE1-CG2 3.67Å; F899-V932 HydrophobicContact CZ-CG2 4.35Å; F899-Y935 HydrophobicContact CE2-CD2 4.44Å; F899-Y935 HydrophobicContact CE2-CG 4.18Å; F899-Y935 HydrophobicContact CZ-CG 4.45Å; F899-F979 HydrophobicContact CB-CE2 4.06Å; F899-F979 HydrophobicContact CB-CZ 4.36Å; F899-F979 HydrophobicContact CD1-CZ 4.01Å; F899-F979 AromaticContact CD2-CE2 3.65Å; F899-F979 HydrophobicContact CD2-CE2 3.65Å; F899-F979 AromaticContact CD2-CZ 3.46Å; F899-F979 HydrophobicContact CD2-CZ 3.46Å; F899-F979 VanDerWaalsContact CD2-CZ 3.46Å; F899-F979 HydrophobicContact CE1-CZ 4.12Å; F899-F979 HydrophobicContact CE2-CE1 4.47Å; F899-F979 HydrophobicContact CE2-CE2 4.18Å; F899-F979 AromaticContact CE2-CZ 3.57Å; F899-F979 HydrophobicContact CE2-CZ 3.57Å; F899-F979 AromaticContact CG-CE2 3.86Å; F899-F979 HydrophobicContact CG-CE2 3.86Å; F899-F979 AromaticContact CG-CZ 3.7Å; F899-F979 HydrophobicContact CG-CZ 3.7Å; F899-F979 AromaticContact CZ-CZ 3.91Å; F899-F979 HydrophobicContact CZ-CZ 3.91Å; F899-L983 HydrophobicContact CB-CD2 4.45Å; F899-L983 HydrophobicContact CD1-CD2 4.2Å
900	P	91.9	Very high	88.1	Confident	61 Å²	61	43.6 Å²	43.6	40%	0.396	23%	0.226	S	C	.	.	H	α-helix	trans	-58.3	-35.2	172	-27.6	36.8	0	0	0	114	L841 D897 S898 Q903 L904	L841-P900 HydrophobicContact CD1-CB 3.99Å; D897-P900 WeakPolarHBondContact O-CD 3.43Å; S898-P900 VanDerWaalsContact C-CD 3.5Å; P900-Q903 PolarHBondContact O-N 3.47Å; P900-L904 WeakPolarHBondContact O-CB 3.49Å; P900-L904 PolarHBondContact O-N 3.36Å
901	L	92.3	Very high	87.8	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.5	-43.2	175.3	177	64.4	0	0	0	111.1	L837 I840 A844 F880 M884 L888 S898 F899 L904 L905	L837-L901 HydrophobicContact CD1-CD2 4.09Å; I840-L901 HydrophobicContact CG2-CD1 4.14Å; I840-L901 HydrophobicContact CG2-CD2 3.71Å; A844-L901 HydrophobicContact CB-CD1 3.72Å; F880-L901 HydrophobicContact CZ-CD1 4.5Å; M884-L901 HydrophobicContact CG-CD2 4.18Å; L888-L901 HydrophobicContact CD2-CD2 4.42Å; S898-L901 WeakPolarHBondContact O-CB 3.48Å; S898-L901 PolarHBondContact O-N 2.86Å; S898-L901 VanDerWaalsContact O-N 3.13Å; F899-L901 VanDerWaalsContact C-N 3.28Å; F899-L901 PolarHBondContact O-N 3.3Å; L901-L904 PolarHBondContact O-N 2.83Å; L901-L905 HydrophobicContact CD1-CD1 3.85Å; L901-L905 HydrophobicContact CD1-CG 4.23Å; L901-L905 HydrophobicContact CG-CD1 4.02Å; L901-L905 WeakPolarHBondContact O-CB 3.45Å; L901-L905 WeakPolarHBondContact O-CG 3.39Å; L901-L905 PolarHBondContact O-N 3.12Å
902	F	92.6	Very high	87.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-46.1	172.6	177.1	-91.1	0	0	0	111.6	S898 F899 L904 L905 N906 L924 F928 L983 W985	S898-F902 PolarHBondContact O-N 3.3Å; F899-F902 WeakPolarHBondContact O-CB 3.49Å; F899-F902 PolarHBondContact O-N 3.18Å; F902-L904 PolarHBondContact O-N 2.97Å; F902-L905 PolarHBondContact O-N 3.21Å; F902-N906 HydrophobicContact CD1-CB 4.41Å; F902-N906 HydrophobicContact CE1-CB 4.11Å; F902-N906 HydrophobicContact CZ-CB 4.25Å; F902-N906 WeakPolarHBondContact O-CB 3.33Å; F902-N906 PolarHBondContact O-N 3.49Å; F902-L924 HydrophobicContact CD2-CD1 4.04Å; F902-L924 HydrophobicContact CD2-CD2 4.14Å; F902-L924 HydrophobicContact CD2-CG 3.77Å; F902-L924 HydrophobicContact CE2-CD2 4.36Å; F902-L924 HydrophobicContact CE2-CG 4.04Å; F902-F928 HydrophobicContact CB-CD1 3.77Å; F902-F928 HydrophobicContact CB-CD2 4.16Å; F902-F928 HydrophobicContact CB-CE1 3.72Å; F902-F928 HydrophobicContact CB-CE2 4.11Å; F902-F928 HydrophobicContact CB-CG 3.98Å; F902-F928 HydrophobicContact CB-CZ 3.89Å; F902-F928 HydrophobicContact CD2-CB 3.65Å; F902-F928 HydrophobicContact CD2-CD1 4.16Å; F902-F928 AromaticContact CD2-CD2 3.68Å; F902-F928 HydrophobicContact CD2-CD2 3.68Å; F902-F928 HydrophobicContact CD2-CE2 4.36Å; F902-F928 AromaticContact CD2-CG 3.55Å; F902-F928 HydrophobicContact CD2-CG 3.55Å; F902-F928 HydrophobicContact CE2-CB 3.96Å; F902-F928 HydrophobicContact CE2-CG 4.35Å; F902-F928 HydrophobicContact CG-CB 4.31Å; F902-F928 HydrophobicContact CG-CD1 4.13Å; F902-F928 HydrophobicContact CG-CD2 4.32Å; F902-F928 AromaticContact CG-CG 3.99Å; F902-F928 HydrophobicContact CG-CG 3.99Å; F902-L983 HydrophobicContact CD1-CD2 3.91Å; F902-L983 HydrophobicContact CE1-CB 4.33Å; F902-L983 HydrophobicContact CE1-CD2 4.3Å; F902-L983 WeakPolarHBondContact CE1-O 3.34Å; F902-W985 AromaticContact CE1-CE3 3.91Å; F902-W985 HydrophobicContact CE1-CE3 3.91Å; F902-W985 AromaticContact CE1-CZ3 3.84Å; F902-W985 HydrophobicContact CE1-CZ3 3.84Å; F902-W985 HydrophobicContact CE2-CE3 4.42Å; F902-W985 AromaticContact CE2-CH2 3.9Å; F902-W985 HydrophobicContact CE2-CH2 3.9Å; F902-W985 AromaticContact CE2-CZ3 3.73Å; F902-W985 HydrophobicContact CE2-CZ3 3.73Å; F902-W985 HydrophobicContact CZ-CD2 4.29Å; F902-W985 AromaticContact CZ-CE3 3.53Å; F902-W985 HydrophobicContact CZ-CE3 3.53Å; F902-W985 AromaticContact CZ-CH2 3.82Å; F902-W985 HydrophobicContact CZ-CH2 3.82Å; F902-W985 AromaticContact CZ-CZ3 3.27Å; F902-W985 HydrophobicContact CZ-CZ3 3.27Å
903	Q	91.3	Very high	87.3	Confident	50 Å²	50	51 Å²	51	23%	0.234	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-43.4	178.8	-74.3	176.8	-39.6	0	0	112.2	F899 P900 N907 D982 L983	F899-Q903 WeakPolarHBondContact O-CG 3.28Å; F899-Q903 PolarHBondContact O-N 3.1Å; P900-Q903 PolarHBondContact O-N 3.47Å; Q903-N907 WeakPolarHBondContact O-CB 3.06Å; Q903-N907 PolarHBondContact O-N 2.83Å; Q903-N907 PolarHBondContact O-ND2 3.37Å; Q903-D982 PolarHBondContact NE2-O 3.4Å; Q903-L983 HydrophobicContact CG-CD2 4.08Å
904	L	92.9	Very high	87.7	Confident	51 Å²	51	48.8 Å²	48.8	27%	0.267	25%	0.254	S	S	.	.	H	α-helix	trans	-60.5	-52.6	176.7	175.8	62.1	0	0	0	111.5	L841 A844 E845 I848 P900 L901 F902 F908	L841-L904 HydrophobicContact CD2-CD2 4.39Å; L841-L904 HydrophobicContact CG-CD2 4.23Å; A844-L904 HydrophobicContact CB-CD2 3.84Å; E845-L904 HydrophobicContact CG-CD2 3.85Å; I848-L904 HydrophobicContact CD1-CD1 3.81Å; I848-L904 HydrophobicContact CD1-CD2 4.49Å; I848-L904 HydrophobicContact CD1-CG 3.83Å; P900-L904 WeakPolarHBondContact O-CB 3.49Å; P900-L904 PolarHBondContact O-N 3.36Å; L901-L904 PolarHBondContact O-N 2.83Å; F902-L904 PolarHBondContact O-N 2.97Å; L904-F908 PolarHBondContact O-N 3.1Å
905	L	93	Very high	88	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.5	-44.2	-178.2	-68	170.9	0	0	0	111.9	A844 W877 F880 M884 L901 F902 F908 L909 F920 L924	A844-L905 HydrophobicContact CB-CD2 3.94Å; A844-L905 HydrophobicContact CB-CG 4.42Å; W877-L905 HydrophobicContact CH2-CD2 3.63Å; W877-L905 HydrophobicContact CZ2-CD2 4.5Å; W877-L905 HydrophobicContact CZ3-CD2 3.64Å; F880-L905 HydrophobicContact CE1-CD1 3.97Å; F880-L905 HydrophobicContact CE1-CD2 4.3Å; F880-L905 HydrophobicContact CZ-CD1 4.48Å; M884-L905 HydrophobicContact SD-CD1 4.01Å; L901-L905 HydrophobicContact CD1-CD1 3.85Å; L901-L905 HydrophobicContact CD1-CG 4.23Å; L901-L905 HydrophobicContact CG-CD1 4.02Å; L901-L905 WeakPolarHBondContact O-CB 3.45Å; L901-L905 WeakPolarHBondContact O-CG 3.39Å; L901-L905 PolarHBondContact O-N 3.12Å; F902-L905 PolarHBondContact O-N 3.21Å; L905-F908 PolarHBondContact O-N 3.25Å; L905-L909 WeakPolarHBondContact O-CB 3.37Å; L905-L909 VanDerWaalsContact O-CG 3.24Å; L905-L909 WeakPolarHBondContact O-CG 3.43Å; L905-L909 PolarHBondContact O-N 3.29Å; L905-F920 HydrophobicContact CD1-CE1 4.47Å; L905-F920 HydrophobicContact CD1-CZ 4.13Å; L905-F920 HydrophobicContact CD2-CE1 4.31Å; L905-L924 HydrophobicContact CB-CD2 3.62Å; L905-L924 HydrophobicContact CD1-CD1 3.98Å; L905-L924 HydrophobicContact CD1-CD2 4.31Å
906	N	92.2	Very high	88.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-45.5	177.9	-175.6	28.5	0	0	0	111.5	F902 F908 L909 R910 H921 L983 H984 P986	F902-N906 HydrophobicContact CD1-CB 4.41Å; F902-N906 HydrophobicContact CE1-CB 4.11Å; F902-N906 HydrophobicContact CZ-CB 4.25Å; F902-N906 WeakPolarHBondContact O-CB 3.33Å; F902-N906 PolarHBondContact O-N 3.49Å; N906-F908 PolarHBondContact O-N 3.25Å; N906-L909 PolarHBondContact O-N 3.36Å; N906-R910 VanDerWaalsContact O-CB 3.32Å; N906-R910 WeakPolarHBondContact O-CB 3.37Å; N906-R910 WeakPolarHBondContact O-CD 3.34Å; N906-R910 WeakPolarHBondContact O-CG 3.35Å; N906-R910 PolarHBondContact O-N 3.3Å; N906-H921 PolarHBondContact OD1-CE1 3.44Å; N906-H921 PolarHBondContact OD1-NE2 3.47Å; N906-L983 PolarHBondContact ND2-O 3.47Å; N906-H984 PolarHBondContact ND2-O 3.23Å; N906-P986 VanDerWaalsContact OD1-CG 3.3Å; N906-P986 WeakPolarHBondContact OD1-CG 3.18Å
907	N	90.3	Very high	88.1	Confident	55 Å²	55	46.9 Å²	46.9	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-66.4	-23.6	178.6	-76.1	-48.6	0	0	0	113.6	Q903 R910 N911	Q903-N907 WeakPolarHBondContact O-CB 3.06Å; Q903-N907 PolarHBondContact O-N 2.83Å; Q903-N907 PolarHBondContact O-ND2 3.37Å; N907-R910 WeakPolarHBondContact OD1-CD 3.44Å; N907-R910 PolarHBondContact OD1-NH1 3.46Å; N907-R910 VanDerWaalsContact OD1-NH1 3.11Å; N907-N911 PolarHBondContact O-ND2 2.75Å
908	F	89.4	Confident	88.1	Confident	28 Å²	28	42.3 Å²	42.3	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-73.8	-58.2	165.6	177.2	-111.6	0	0	0	111.6	I848 L851 Q852 W877 L904 L905 N906 R910 N911 L915	I848-F908 HydrophobicContact CD1-CB 3.85Å; I848-F908 HydrophobicContact CD1-CG 4.18Å; I848-F908 HydrophobicContact CG1-CB 4.07Å; I848-F908 HydrophobicContact CG1-CD1 3.96Å; I848-F908 HydrophobicContact CG1-CD2 4.26Å; I848-F908 HydrophobicContact CG1-CG 3.82Å; I848-F908 HydrophobicContact CG2-CD2 3.71Å; I848-F908 HydrophobicContact CG2-CE2 4.05Å; I848-F908 HydrophobicContact CG2-CG 4.13Å; L851-F908 HydrophobicContact CB-CZ 4.27Å; L851-F908 HydrophobicContact CD1-CE1 4.24Å; Q852-F908 HydrophobicContact CG-CE2 3.92Å; W877-F908 AromaticContact CZ2-CD1 3.86Å; W877-F908 HydrophobicContact CZ2-CD1 3.86Å; W877-F908 AromaticContact CZ2-CE1 3.79Å; W877-F908 HydrophobicContact CZ2-CE1 3.79Å; L904-F908 PolarHBondContact O-N 3.1Å; L905-F908 PolarHBondContact O-N 3.25Å; N906-F908 PolarHBondContact O-N 3.25Å; F908-R910 PolarHBondContact O-N 3.41Å; F908-N911 PolarHBondContact O-N 3.17Å; F908-L915 HydrophobicContact CE1-CD1 4.48Å
909	L	89.9	Confident	88.1	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-34	-170.5	-66.5	165.8	0	0	0	113.9	L905 N906 N911 D912 L915 C916 F920 H921 L924	L905-L909 WeakPolarHBondContact O-CB 3.37Å; L905-L909 VanDerWaalsContact O-CG 3.24Å; L905-L909 WeakPolarHBondContact O-CG 3.43Å; L905-L909 PolarHBondContact O-N 3.29Å; N906-L909 PolarHBondContact O-N 3.36Å; L909-N911 PolarHBondContact O-N 2.98Å; L909-D912 PolarHBondContact O-N 3.47Å; L909-L915 HydrophobicContact CD2-CB 3.95Å; L909-L915 HydrophobicContact CD2-CD1 4.25Å; L909-C916 WeakPolarHBondContact O-CA 3.11Å; L909-C916 WeakPolarHBondContact O-CB 3.49Å; L909-C916 PolarHBondContact O-N 3.42Å; L909-F920 HydrophobicContact CD1-CD1 3.76Å; L909-F920 HydrophobicContact CD1-CE1 3.91Å; L909-F920 HydrophobicContact CD2-CD1 4.36Å; L909-H921 HydrophobicContact CD1-CB 4.02Å; L909-L924 HydrophobicContact CD1-CD2 4.18Å
910	R	86.1	Confident	88.2	Confident	98 Å²	98	50.1 Å²	50.1	37%	0.37	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.7	179.5	74.3	-167.4	-74.6	-130.3	-3.7	114.3	N906 N907 F908 H921 H984	N906-R910 VanDerWaalsContact O-CB 3.32Å; N906-R910 WeakPolarHBondContact O-CB 3.37Å; N906-R910 WeakPolarHBondContact O-CD 3.34Å; N906-R910 WeakPolarHBondContact O-CG 3.35Å; N906-R910 PolarHBondContact O-N 3.3Å; N907-R910 WeakPolarHBondContact OD1-CD 3.44Å; N907-R910 PolarHBondContact OD1-NH1 3.46Å; N907-R910 VanDerWaalsContact OD1-NH1 3.11Å; F908-R910 PolarHBondContact O-N 3.41Å; R910-H921 VanDerWaalsContact CA-CE1 3.48Å; R910-H921 WeakPolarHBondContact CA-CE1 3.45Å; R910-H921 PolarHBondContact N-CE1 2.88Å; R910-H984 PolarHBondContact NH1-CD2 3Å; R910-H984 PolarHBondContact NH2-CD2 2.74Å
911	N	82.6	Confident	88.2	Confident	127 Å²	127	47.2 Å²	47.2	68%	0.679	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-18.1	179.7	-73.7	-36.1	0	0	0	112.5	N907 F908 L909	N907-N911 PolarHBondContact O-ND2 2.75Å; F908-N911 PolarHBondContact O-N 3.17Å; L909-N911 PolarHBondContact O-N 2.98Å
912	D	82.2	Confident	88.1	Confident	45 Å²	45	51.7 Å²	51.7	24%	0.241	26%	0.264	C	S	.	.			trans	-89.4	123.2	177.3	-176.9	-42.6	0	0	0	110.3	L909 L914 L915 C916	L909-D912 PolarHBondContact O-N 3.47Å; D912-L914 VanDerWaalsContact C-N 3.25Å; D912-L914 PolarHBondContact O-N 2.9Å; D912-L914 WeakPolarHBondContact OD1-CA 3.29Å; D912-L914 PolarHBondContact OD1-N 3.12Å; D912-L915 HydrophobicContact CB-CB 4.02Å; D912-L915 HydrophobicContact CB-CG 4.4Å; D912-L915 PolarHBondContact OD1-N 3.33Å; D912-L915 WeakPolarHBondContact OD2-CD1 3.26Å; D912-L915 WeakPolarHBondContact OD2-CG 3.36Å; D912-C916 WeakPolarHBondContact O-CB 3.49Å; D912-C916 PolarHBondContact O-N 2.89Å
913	T	78.1	Confident	88.1	Confident	134 Å²	134	54.3 Å²	54.3	82%	0.822	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.9	-175.3	57	0	0	0	0	114.7
914	L	82.1	Confident	88.1	Confident	91 Å²	91	52 Å²	52	48%	0.476	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-24.9	179.6	-59	176.1	0	0	0	112.7	P866 A870 D912	P866-L914 HydrophobicContact CB-CD1 4.12Å; A870-L914 HydrophobicContact CB-CB 3.74Å; A870-L914 HydrophobicContact CB-CD1 4.11Å; D912-L914 VanDerWaalsContact C-N 3.25Å; D912-L914 PolarHBondContact O-N 2.9Å; D912-L914 WeakPolarHBondContact OD1-CA 3.29Å; D912-L914 PolarHBondContact OD1-N 3.12Å
915	L	85.4	Confident	88	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-20.4	176.2	-59.2	-178.7	0	0	0	114.1	A870 A873 E874 F908 L909 D912 N917 G918	A870-L915 HydrophobicContact CB-CD2 4.42Å; A873-L915 HydrophobicContact CB-CD1 3.83Å; A873-L915 HydrophobicContact CB-CD2 4.03Å; E874-L915 HydrophobicContact CG-CD2 3.84Å; F908-L915 HydrophobicContact CE1-CD1 4.48Å; L909-L915 HydrophobicContact CD2-CB 3.95Å; L909-L915 HydrophobicContact CD2-CD1 4.25Å; D912-L915 HydrophobicContact CB-CB 4.02Å; D912-L915 HydrophobicContact CB-CG 4.4Å; D912-L915 PolarHBondContact OD1-N 3.33Å; D912-L915 WeakPolarHBondContact OD2-CD1 3.26Å; D912-L915 WeakPolarHBondContact OD2-CG 3.36Å; L915-N917 PolarHBondContact O-N 2.71Å; L915-G918 PolarHBondContact O-N 3.34Å
916	C	85.9	Confident	87.9	Confident	49 Å²	49	56.5 Å²	56.5	33%	0.331	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	124.8	174.3	-175.2	0	0	0	0	110.8	L909 D912 G918	L909-C916 WeakPolarHBondContact O-CA 3.11Å; L909-C916 WeakPolarHBondContact O-CB 3.49Å; L909-C916 PolarHBondContact O-N 3.42Å; D912-C916 WeakPolarHBondContact O-CB 3.49Å; D912-C916 PolarHBondContact O-N 2.89Å; C916-G918 PolarHBondContact O-N 3.21Å
917	N	84.4	Confident	87.9	Confident	69 Å²	69	58.7 Å²	58.7	37%	0.369	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	22.2	-171.9	-59.5	-46.6	0	0	0	115	L915 H921 K922 Q925	L915-N917 PolarHBondContact O-N 2.71Å; N917-H921 PolarHBondContact N-ND1 3.27Å; N917-K922 WeakPolarHBondContact O-CE 3.25Å; N917-Q925 PolarHBondContact OD1-NE2 3.17Å
918	G	86.8	Confident	87.9	Confident	13 Å²	13	56 Å²	56	13%	0.134	28%	0.282	C	S	.	.			trans	-66	-178.3	165.9	0	0	0	0	0	113.1	E874 L915 C916 H921 K922	E874-G918 WeakPolarHBondContact OE1-CA 3.35Å; L915-G918 PolarHBondContact O-N 3.34Å; C916-G918 PolarHBondContact O-N 3.21Å; G918-H921 PolarHBondContact O-N 3.2Å; G918-K922 WeakPolarHBondContact O-CG 3.36Å; G918-K922 PolarHBondContact O-N 3.3Å
919	K	89.4	Confident	88	Confident	169 Å²	169	56.7 Å²	56.7	74%	0.735	29%	0.288	S	S	*	.	H	α-helix	trans	-64.6	-49.8	-175.2	-64.3	175.7	-178.1	172.1	0	111.8	E874 H921 K922 H923	E874-K919 PolarHBondContact OE1-N 3.02Å; E874-K919 PolarHBondContact OE2-N 3.09Å; K919-H921 VanDerWaalsContact C-N 3.3Å; K919-H921 PolarHBondContact O-N 3.21Å; K919-K922 PolarHBondContact O-N 3.11Å; K919-H923 PolarHBondContact O-N 3.48Å
920	F	92.5	Very high	88.1	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-40.2	176.2	176.9	-115	0	0	0	111.9	E874 W877 F880 T881 M884 L905 L909 K922 H923 L924	E874-F920 PolarHBondContact OE2-N 3.11Å; W877-F920 HydrophobicContact CB-CB 3.74Å; W877-F920 HydrophobicContact CB-CD1 3.68Å; W877-F920 HydrophobicContact CB-CD2 3.97Å; W877-F920 HydrophobicContact CB-CE1 4.26Å; W877-F920 HydrophobicContact CB-CG 3.52Å; W877-F920 AromaticContact CD2-CD1 3.8Å; W877-F920 HydrophobicContact CD2-CD1 3.8Å; W877-F920 AromaticContact CD2-CE1 3.71Å; W877-F920 HydrophobicContact CD2-CE1 3.71Å; W877-F920 HydrophobicContact CD2-CZ 4.37Å; W877-F920 HydrophobicContact CE3-CD1 4.12Å; W877-F920 AromaticContact CE3-CE1 3.57Å; W877-F920 HydrophobicContact CE3-CE1 3.57Å; W877-F920 AromaticContact CE3-CZ 3.84Å; W877-F920 HydrophobicContact CE3-CZ 3.84Å; W877-F920 HydrophobicContact CG-CB 4.38Å; W877-F920 AromaticContact CG-CD1 3.61Å; W877-F920 HydrophobicContact CG-CD1 3.61Å; W877-F920 HydrophobicContact CG-CE1 4.02Å; W877-F920 AromaticContact CG-CG 4Å; W877-F920 HydrophobicContact CG-CG 4Å; W877-F920 HydrophobicContact CZ3-CE1 4.19Å; W877-F920 HydrophobicContact CZ3-CZ 4.43Å; F880-F920 HydrophobicContact CD1-CE2 4.04Å; F880-F920 AromaticContact CD1-CZ 3.71Å; F880-F920 HydrophobicContact CD1-CZ 3.71Å; F880-F920 AromaticContact CE1-CZ 3.96Å; F880-F920 HydrophobicContact CE1-CZ 3.96Å; T881-F920 VanDerWaalsContact OG1-CD2 3.31Å; T881-F920 WeakPolarHBondContact OG1-CD2 3.5Å; T881-F920 WeakPolarHBondContact OG1-CE2 3.49Å; M884-F920 HydrophobicContact CE-CE2 4.21Å; M884-F920 HydrophobicContact SD-CE2 4.22Å; M884-F920 HydrophobicContact SD-CZ 4.14Å; L905-F920 HydrophobicContact CD1-CE1 4.47Å; L905-F920 HydrophobicContact CD1-CZ 4.13Å; L905-F920 HydrophobicContact CD2-CE1 4.31Å; L909-F920 HydrophobicContact CD1-CD1 3.76Å; L909-F920 HydrophobicContact CD1-CE1 3.91Å; L909-F920 HydrophobicContact CD2-CD1 4.36Å; F920-K922 VanDerWaalsContact C-N 3.32Å; F920-K922 PolarHBondContact O-N 2.94Å; F920-H923 PolarHBondContact O-N 3.43Å; F920-L924 WeakPolarHBondContact O-CB 3.38Å; F920-L924 PolarHBondContact O-N 3.48Å
921	H	91.9	Very high	88.2	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-36.7	180	-161.1	-179.2	0	0	0	112	N906 L909 R910 N917 G918 K919 Q925 P986	N906-H921 PolarHBondContact OD1-CE1 3.44Å; N906-H921 PolarHBondContact OD1-NE2 3.47Å; L909-H921 HydrophobicContact CD1-CB 4.02Å; R910-H921 VanDerWaalsContact CA-CE1 3.48Å; R910-H921 WeakPolarHBondContact CA-CE1 3.45Å; R910-H921 PolarHBondContact N-CE1 2.88Å; N917-H921 PolarHBondContact N-ND1 3.27Å; G918-H921 PolarHBondContact O-N 3.2Å; K919-H921 VanDerWaalsContact C-N 3.3Å; K919-H921 PolarHBondContact O-N 3.21Å; H921-Q925 PolarHBondContact CD2-NE2 3.31Å; H921-Q925 VanDerWaalsContact O-CG 3.22Å; H921-Q925 WeakPolarHBondContact O-CG 3.21Å; H921-Q925 PolarHBondContact O-N 3.09Å; H921-Q925 PolarHBondContact O-NE2 3.27Å; H921-P986 WeakPolarHBondContact NE2-CG 3.44Å
922	K	90.4	Very high	88.6	Confident	93 Å²	93	51.5 Å²	51.5	40%	0.404	27%	0.272	S	S	.	.	H	α-helix	trans	-70.4	-42.6	173.9	-73.3	-175.6	174.2	-165	0	113.1	N917 G918 K919 F920 L924 Q925 E926	N917-K922 WeakPolarHBondContact O-CE 3.25Å; G918-K922 WeakPolarHBondContact O-CG 3.36Å; G918-K922 PolarHBondContact O-N 3.3Å; K919-K922 PolarHBondContact O-N 3.11Å; F920-K922 VanDerWaalsContact C-N 3.32Å; F920-K922 PolarHBondContact O-N 2.94Å; K922-L924 VanDerWaalsContact C-N 3.29Å; K922-L924 PolarHBondContact O-N 3.09Å; K922-Q925 WeakPolarHBondContact O-CB 3.4Å; K922-Q925 PolarHBondContact O-N 2.95Å; K922-Q925 VanDerWaalsContact O-N 3.08Å; K922-E926 WeakPolarHBondContact O-CB 3.44Å; K922-E926 WeakPolarHBondContact O-CG 3.14Å; K922-E926 PolarHBondContact O-N 3.4Å
923	H	92.6	Very high	89	Confident	56 Å²	56	51.2 Å²	51.2	26%	0.259	27%	0.272	S	S	.	.	H	α-helix	trans	-57.2	-43.3	172.7	-177.9	90.4	0	0	0	111.9	T881 D885 K919 F920 Q925 E926 I927	T881-H923 VanDerWaalsContact CG2-NE2 3.28Å; T881-H923 WeakPolarHBondContact CG2-NE2 3.13Å; D885-H923 VanDerWaalsContact CG-NE2 3.31Å; D885-H923 IonicContact OD1-CD2 2.79Å; D885-H923 IonicContact OD1-CE1 3.44Å; D885-H923 IonicContact OD1-NE2 3.52Å; D885-H923 PolarHBondContact OD1-NE2 3.31Å; D885-H923 IonicContact OD2-CE1 3.44Å; D885-H923 PolarHBondContact OD2-CE1 3.3Å; D885-H923 IonicContact OD2-NE2 3.47Å; D885-H923 PolarHBondContact OD2-NE2 3.13Å; K919-H923 PolarHBondContact O-N 3.48Å; F920-H923 PolarHBondContact O-N 3.43Å; H923-Q925 PolarHBondContact O-N 2.96Å; H923-E926 PolarHBondContact O-N 3.47Å; H923-I927 VanDerWaalsContact NE2-CD1 3.27Å; H923-I927 WeakPolarHBondContact NE2-CD1 3.49Å; H923-I927 PolarHBondContact O-N 2.94Å; H923-I927 VanDerWaalsContact O-N 3.08Å
924	L	92.3	Very high	89.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-40.9	173.9	-178.5	68.8	0	0	0	112.3	M884 F902 L905 L909 F920 K922 F928	M884-L924 HydrophobicContact CE-CD1 4.48Å; M884-L924 HydrophobicContact SD-CD1 4.17Å; F902-L924 HydrophobicContact CD2-CD1 4.04Å; F902-L924 HydrophobicContact CD2-CD2 4.14Å; F902-L924 HydrophobicContact CD2-CG 3.77Å; F902-L924 HydrophobicContact CE2-CD2 4.36Å; F902-L924 HydrophobicContact CE2-CG 4.04Å; L905-L924 HydrophobicContact CB-CD2 3.62Å; L905-L924 HydrophobicContact CD1-CD1 3.98Å; L905-L924 HydrophobicContact CD1-CD2 4.31Å; L909-L924 HydrophobicContact CD1-CD2 4.18Å; F920-L924 WeakPolarHBondContact O-CB 3.38Å; F920-L924 PolarHBondContact O-N 3.48Å; K922-L924 VanDerWaalsContact C-N 3.29Å; K922-L924 PolarHBondContact O-N 3.09Å; L924-F928 HydrophobicContact CD1-CD2 3.86Å; L924-F928 HydrophobicContact CD1-CE2 3.78Å; L924-F928 WeakPolarHBondContact O-CD2 3.28Å; L924-F928 PolarHBondContact O-N 2.64Å
925	Q	90.7	Very high	89.9	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-49.5	174.6	-69.4	162.9	34.2	0	0	111.1	N917 H921 K922 H923 I927 F928 V929 W985 P986	N917-Q925 PolarHBondContact OD1-NE2 3.17Å; H921-Q925 PolarHBondContact CD2-NE2 3.31Å; H921-Q925 VanDerWaalsContact O-CG 3.22Å; H921-Q925 WeakPolarHBondContact O-CG 3.21Å; H921-Q925 PolarHBondContact O-N 3.09Å; H921-Q925 PolarHBondContact O-NE2 3.27Å; K922-Q925 WeakPolarHBondContact O-CB 3.4Å; K922-Q925 PolarHBondContact O-N 2.95Å; K922-Q925 VanDerWaalsContact O-N 3.08Å; H923-Q925 PolarHBondContact O-N 2.96Å; Q925-I927 VanDerWaalsContact C-N 3.29Å; Q925-I927 PolarHBondContact O-N 3.4Å; Q925-F928 PolarHBondContact O-N 3.45Å; Q925-F928 VanDerWaalsContact O-N 3.09Å; Q925-V929 WeakPolarHBondContact O-CG2 3.38Å; Q925-V929 PolarHBondContact O-N 3.41Å; Q925-W985 HydrophobicContact CB-CH2 4.44Å; Q925-W985 HydrophobicContact CB-CZ2 3.83Å; Q925-W985 HydrophobicContact CG-CZ2 4Å; Q925-P986 HydrophobicContact CG-CG 4.26Å
926	E	91.3	Very high	90.1	Very high	143 Å²	143	46.5 Å²	46.5	67%	0.668	23%	0.232	S	C	*	.	H	α-helix	trans	-56.6	-37.7	-179.3	-74	173.3	-151	0	0	112.9	K922 H923 P930	K922-E926 WeakPolarHBondContact O-CB 3.44Å; K922-E926 WeakPolarHBondContact O-CG 3.14Å; K922-E926 PolarHBondContact O-N 3.4Å; H923-E926 PolarHBondContact O-N 3.47Å; E926-P930 WeakPolarHBondContact O-CD 3.4Å
927	I	91.1	Very high	90.3	Very high	45 Å²	45	47.1 Å²	47.1	23%	0.231	23%	0.233	C	C	.	.	H	α-helix	trans	-70.5	-43.2	174.4	-72.3	176.8	0	0	0	112.5	M884 D885 L888 H923 Q925 P930	M884-I927 HydrophobicContact CE-CD1 4.16Å; D885-I927 WeakPolarHBondContact OD1-CD1 3.5Å; L888-I927 HydrophobicContact CD1-CG2 4.03Å; H923-I927 VanDerWaalsContact NE2-CD1 3.27Å; H923-I927 WeakPolarHBondContact NE2-CD1 3.49Å; H923-I927 PolarHBondContact O-N 2.94Å; H923-I927 VanDerWaalsContact O-N 3.08Å; Q925-I927 VanDerWaalsContact C-N 3.29Å; Q925-I927 PolarHBondContact O-N 3.4Å; I927-P930 WeakPolarHBondContact O-CD 3.36Å; I927-P930 WeakPolarHBondContact O-CG 3.31Å
928	F	91.4	Very high	90.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-86.9	-20.9	-171.9	-81.9	-92.7	0	0	0	114.6	L888 S898 F899 F902 L924 Q925 L931 V932 W985	L888-F928 HydrophobicContact CD1-CE2 3.9Å; L888-F928 HydrophobicContact CD1-CZ 4.2Å; L888-F928 HydrophobicContact CD2-CZ 4.13Å; S898-F928 WeakPolarHBondContact O-CE1 3.3Å; F899-F928 AromaticContact CD1-CD1 3.99Å; F899-F928 HydrophobicContact CD1-CD1 3.99Å; F899-F928 HydrophobicContact CD1-CE1 4.22Å; F899-F928 HydrophobicContact CE1-CD1 4.15Å; F902-F928 HydrophobicContact CB-CD1 3.77Å; F902-F928 HydrophobicContact CB-CD2 4.16Å; F902-F928 HydrophobicContact CB-CE1 3.72Å; F902-F928 HydrophobicContact CB-CE2 4.11Å; F902-F928 HydrophobicContact CB-CG 3.98Å; F902-F928 HydrophobicContact CB-CZ 3.89Å; F902-F928 HydrophobicContact CD2-CB 3.65Å; F902-F928 HydrophobicContact CD2-CD1 4.16Å; F902-F928 AromaticContact CD2-CD2 3.68Å; F902-F928 HydrophobicContact CD2-CD2 3.68Å; F902-F928 HydrophobicContact CD2-CE2 4.36Å; F902-F928 AromaticContact CD2-CG 3.55Å; F902-F928 HydrophobicContact CD2-CG 3.55Å; F902-F928 HydrophobicContact CE2-CB 3.96Å; F902-F928 HydrophobicContact CE2-CG 4.35Å; F902-F928 HydrophobicContact CG-CB 4.31Å; F902-F928 HydrophobicContact CG-CD1 4.13Å; F902-F928 HydrophobicContact CG-CD2 4.32Å; F902-F928 AromaticContact CG-CG 3.99Å; F902-F928 HydrophobicContact CG-CG 3.99Å; L924-F928 HydrophobicContact CD1-CD2 3.86Å; L924-F928 HydrophobicContact CD1-CE2 3.78Å; L924-F928 WeakPolarHBondContact O-CD2 3.28Å; L924-F928 PolarHBondContact O-N 2.64Å; Q925-F928 PolarHBondContact O-N 3.45Å; Q925-F928 VanDerWaalsContact O-N 3.09Å; F928-L931 HydrophobicContact CD1-CD1 3.91Å; F928-L931 HydrophobicContact CE1-CD1 4.04Å; F928-L931 HydrophobicContact CG-CD1 4.41Å; F928-L931 PolarHBondContact O-N 3.4Å; F928-L931 VanDerWaalsContact O-N 3.15Å; F928-V932 WeakPolarHBondContact O-CG2 3.37Å; F928-V932 PolarHBondContact O-N 3.15Å; F928-W985 HydrophobicContact CB-CH2 4.08Å; F928-W985 HydrophobicContact CB-CZ3 4.27Å
929	V	91.4	Very high	90.7	Very high	41 Å²	41	48.9 Å²	48.9	25%	0.248	24%	0.238	C	C	.	.	H	α-helix	trans	-47.7	-57	172	163.3	0	0	0	0	112.6	Q925 L931 V932 V933 W985 F990	Q925-V929 WeakPolarHBondContact O-CG2 3.38Å; Q925-V929 PolarHBondContact O-N 3.41Å; V929-L931 VanDerWaalsContact C-N 3.28Å; V929-L931 PolarHBondContact O-N 3.17Å; V929-V932 PolarHBondContact O-N 2.78Å; V929-V933 WeakPolarHBondContact O-CG2 3.18Å; V929-V933 PolarHBondContact O-N 2.84Å; V929-W985 HydrophobicContact CG2-CH2 3.84Å; V929-W985 HydrophobicContact CG2-CZ2 3.45Å; V929-W985 VanDerWaalsContact CG2-CZ2 3.45Å; V929-F990 HydrophobicContact CB-CZ 4.3Å; V929-F990 HydrophobicContact CG1-CE2 3.95Å; V929-F990 HydrophobicContact CG1-CZ 3.87Å; V929-F990 HydrophobicContact CG2-CD1 4.43Å; V929-F990 HydrophobicContact CG2-CE1 4.04Å; V929-F990 HydrophobicContact CG2-CE2 4.44Å; V929-F990 HydrophobicContact CG2-CZ 4.06Å
930	P	90.4	Very high	90.7	Very high	77 Å²	77	43.8 Å²	43.8	50%	0.5	22%	0.217	S	C	.	.	H	α-helix	trans	-65.8	-28.9	-178.3	25.6	-35.4	0	0	0	113.2	E926 I927 R934	E926-P930 WeakPolarHBondContact O-CD 3.4Å; I927-P930 WeakPolarHBondContact O-CD 3.36Å; I927-P930 WeakPolarHBondContact O-CG 3.31Å; P930-R934 VanDerWaalsContact O-CB 3.26Å; P930-R934 WeakPolarHBondContact O-CB 3.43Å; P930-R934 PolarHBondContact O-N 2.91Å
931	L	89.8	Confident	90.5	Very high	42 Å²	42	46.3 Å²	46.3	22%	0.22	24%	0.235	C	C	.	.	H	α-helix	trans	-70	-45.4	175.9	-62.6	177.4	0	0	0	111.4	F899 F928 V929 R934 Y935	F899-L931 HydrophobicContact CE1-CB 4.21Å; F899-L931 HydrophobicContact CZ-CB 4.34Å; F928-L931 HydrophobicContact CD1-CD1 3.91Å; F928-L931 HydrophobicContact CE1-CD1 4.04Å; F928-L931 HydrophobicContact CG-CD1 4.41Å; F928-L931 PolarHBondContact O-N 3.4Å; F928-L931 VanDerWaalsContact O-N 3.15Å; V929-L931 VanDerWaalsContact C-N 3.28Å; V929-L931 PolarHBondContact O-N 3.17Å; L931-R934 PolarHBondContact O-N 2.98Å; L931-Y935 WeakPolarHBondContact O-CB 3.47Å; L931-Y935 PolarHBondContact O-N 3.24Å
932	V	90.7	Very high	90.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.3	-42.5	176.6	177.7	0	0	0	0	111	F899 F928 V929 Y935 V936 L983 W985 L994	F899-V932 HydrophobicContact CD1-CG2 4.48Å; F899-V932 HydrophobicContact CE1-CG2 3.67Å; F899-V932 HydrophobicContact CZ-CG2 4.35Å; F928-V932 WeakPolarHBondContact O-CG2 3.37Å; F928-V932 PolarHBondContact O-N 3.15Å; V929-V932 PolarHBondContact O-N 2.78Å; V932-Y935 PolarHBondContact O-N 2.92Å; V932-V936 WeakPolarHBondContact O-CG2 3.46Å; V932-V936 PolarHBondContact O-N 2.97Å; V932-L983 HydrophobicContact CG1-CD1 4Å; V932-L983 HydrophobicContact CG2-CD1 3.66Å; V932-W985 HydrophobicContact CG2-CZ3 4.03Å; V932-L994 HydrophobicContact CG1-CD1 3.72Å; V932-L994 HydrophobicContact CG1-CD2 4.23Å
933	V	89.8	Confident	90.3	Very high	39 Å²	39	44.7 Å²	44.7	24%	0.236	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-49.2	176	174.6	0	0	0	0	111	V929 Y935 V936 D937 F990	V929-V933 WeakPolarHBondContact O-CG2 3.18Å; V929-V933 PolarHBondContact O-N 2.84Å; V933-Y935 VanDerWaalsContact C-N 3.31Å; V933-Y935 PolarHBondContact O-N 3.5Å; V933-V936 PolarHBondContact O-N 3.11Å; V933-D937 PolarHBondContact O-N 3.44Å; V933-F990 HydrophobicContact CG2-CE2 4.14Å; V933-F990 HydrophobicContact CG2-CZ 3.92Å
934	R	90.1	Very high	90	Very high	84 Å²	84	43.9 Å²	43.9	32%	0.317	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-38.1	178.5	-172.5	-177.4	177.6	139.9	-6.7	112.2	Q893 D894 W896 P930 L931 L938	Q893-R934 PolarHBondContact O-NE 3.47Å; D894-R934 IonicContact OD1-CZ 3.38Å; D894-R934 IonicContact OD1-NE 2.83Å; D894-R934 PolarHBondContact OD1-NE 2.98Å; D894-R934 IonicContact OD1-NH2 3.18Å; D894-R934 PolarHBondContact OD1-NH2 3.41Å; D894-R934 IonicContact OD2-CZ 3.1Å; D894-R934 IonicContact OD2-NH2 3.85Å; D894-R934 PolarHBondContact OD2-NH2 2.93Å; W896-R934 HydrophobicContact CH2-CB 4.35Å; W896-R934 HydrophobicContact CH2-CG 4.09Å; P930-R934 VanDerWaalsContact O-CB 3.26Å; P930-R934 WeakPolarHBondContact O-CB 3.43Å; P930-R934 PolarHBondContact O-N 2.91Å; L931-R934 PolarHBondContact O-N 2.98Å; R934-L938 HydrophobicContact CG-CD1 4Å; R934-L938 WeakPolarHBondContact O-CB 3.42Å; R934-L938 VanDerWaalsContact O-CG 3.28Å; R934-L938 WeakPolarHBondContact O-CG 3.47Å; R934-L938 PolarHBondContact O-N 3.4Å
935	Y	90	Very high	89.7	Confident	44 Å²	44	48.7 Å²	48.7	17%	0.173	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-47.1	174.6	-178.4	-112.5	0	0	0	111.7	W896 F899 L931 V932 V933 L938 M939 L976 F979	W896-Y935 AromaticContact CD2-CD2 3.57Å; W896-Y935 HydrophobicContact CD2-CD2 3.57Å; W896-Y935 HydrophobicContact CD2-CE2 4.26Å; W896-Y935 HydrophobicContact CD2-CG 4.38Å; W896-Y935 AromaticContact CE2-CD2 3.69Å; W896-Y935 AromaticContact CE3-CD2 3.93Å; W896-Y935 HydrophobicContact CE3-CD2 3.93Å; W896-Y935 HydrophobicContact CE3-CG 4.3Å; W896-Y935 AromaticContact CG-CD2 3.92Å; W896-Y935 HydrophobicContact CG-CD2 3.92Å; W896-Y935 HydrophobicContact CG-CE2 4.13Å; W896-Y935 HydrophobicContact CH2-CD2 4.44Å; W896-Y935 HydrophobicContact CZ2-CD2 4.15Å; W896-Y935 HydrophobicContact CZ3-CD2 4.34Å; F899-Y935 HydrophobicContact CE2-CD2 4.44Å; F899-Y935 HydrophobicContact CE2-CG 4.18Å; F899-Y935 HydrophobicContact CZ-CG 4.45Å; L931-Y935 WeakPolarHBondContact O-CB 3.47Å; L931-Y935 PolarHBondContact O-N 3.24Å; V932-Y935 PolarHBondContact O-N 2.92Å; V933-Y935 VanDerWaalsContact C-N 3.31Å; V933-Y935 PolarHBondContact O-N 3.5Å; Y935-L938 PolarHBondContact O-N 3.39Å; Y935-M939 HydrophobicContact CD1-CG 4.42Å; Y935-M939 HydrophobicContact CD2-CG 4.18Å; Y935-M939 HydrophobicContact CE1-CG 4.1Å; Y935-M939 HydrophobicContact CE2-CG 3.83Å; Y935-M939 HydrophobicContact CE2-SD 4.3Å; Y935-M939 HydrophobicContact CG-CG 4.47Å; Y935-M939 WeakPolarHBondContact O-CB 3.28Å; Y935-M939 VanDerWaalsContact O-CG 3.3Å; Y935-M939 WeakPolarHBondContact O-CG 3.38Å; Y935-M939 PolarHBondContact O-N 3Å; Y935-L976 HydrophobicContact CD1-CD1 4.02Å; Y935-L976 HydrophobicContact CE1-CD1 3.52Å; Y935-F979 AromaticContact CD1-CD1 3.88Å; Y935-F979 HydrophobicContact CD1-CD1 3.88Å; Y935-F979 AromaticContact CD1-CE1 3.43Å; Y935-F979 HydrophobicContact CD1-CE1 3.43Å; Y935-F979 VanDerWaalsContact CD1-CE1 3.43Å; Y935-F979 HydrophobicContact CD1-CZ 4.04Å; Y935-F979 AromaticContact CE1-CD1 3.49Å; Y935-F979 HydrophobicContact CE1-CD1 3.49Å; Y935-F979 VanDerWaalsContact CE1-CD1 3.49Å; Y935-F979 AromaticContact CE1-CE1 3.49Å; Y935-F979 HydrophobicContact CE1-CE1 3.49Å; Y935-F979 VanDerWaalsContact CE1-CE1 3.49Å; Y935-F979 HydrophobicContact CE1-CG 4.08Å; Y935-F979 HydrophobicContact CE1-CZ 4.05Å
936	V	90	Very high	89.5	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-43.8	176.8	174	0	0	0	0	111.3	V932 V933 L938 M939 E940 V980 L998	V932-V936 WeakPolarHBondContact O-CG2 3.46Å; V932-V936 PolarHBondContact O-N 2.97Å; V933-V936 PolarHBondContact O-N 3.11Å; V936-L938 VanDerWaalsContact C-N 3.32Å; V936-L938 PolarHBondContact O-N 2.63Å; V936-M939 PolarHBondContact O-N 3.17Å; V936-E940 VanDerWaalsContact O-CB 3.24Å; V936-E940 WeakPolarHBondContact O-CB 3.3Å; V936-E940 PolarHBondContact O-N 3.16Å; V936-V980 HydrophobicContact CG2-CG2 4.46Å; V936-L998 HydrophobicContact CG1-CD2 4.16Å; V936-L998 HydrophobicContact CG2-CD2 4.4Å
937	D	89.8	Confident	89.2	Confident	63 Å²	63	43.5 Å²	43.5	34%	0.337	24%	0.24	S	C	.	.	H	α-helix	trans	-56.9	-43.7	176.4	-66.6	-19.8	0	0	0	112.4	V933 S941 R997	V933-D937 PolarHBondContact O-N 3.44Å; D937-S941 WeakPolarHBondContact O-CB 3.43Å; D937-S941 PolarHBondContact O-N 3.22Å; D937-S941 VanDerWaalsContact O-N 3.1Å; D937-S941 PolarHBondContact O-OG 2.92Å; D937-R997 IonicContact OD1-CZ 2.67Å; D937-R997 IonicContact OD1-NH1 2.89Å; D937-R997 PolarHBondContact OD1-NH1 2.9Å; D937-R997 IonicContact OD1-NH2 3.86Å; D937-R997 PolarHBondContact OD1-NH2 3.28Å
938	L	89.3	Confident	88.8	Confident	78 Å²	78	45.8 Å²	45.8	41%	0.408	25%	0.25	S	C	.	.	H	α-helix	trans	-74.5	-37.4	-179.8	-72.1	170	0	0	0	112.1	D894 W896 R934 Y935 V936 S941 S942	D894-L938 WeakPolarHBondContact OD1-CD1 3.43Å; W896-L938 HydrophobicContact CH2-CD1 4.03Å; W896-L938 HydrophobicContact CZ2-CD1 3.72Å; R934-L938 HydrophobicContact CG-CD1 4Å; R934-L938 WeakPolarHBondContact O-CB 3.42Å; R934-L938 VanDerWaalsContact O-CG 3.28Å; R934-L938 WeakPolarHBondContact O-CG 3.47Å; R934-L938 PolarHBondContact O-N 3.4Å; Y935-L938 PolarHBondContact O-N 3.39Å; V936-L938 VanDerWaalsContact C-N 3.32Å; V936-L938 PolarHBondContact O-N 2.63Å; L938-S941 PolarHBondContact O-N 2.96Å; L938-S942 WeakPolarHBondContact O-CB 3.48Å; L938-S942 PolarHBondContact O-N 3.43Å
939	M	89.8	Confident	88.4	Confident	41 Å²	41	53.1 Å²	53.1	20%	0.202	28%	0.277	C	S	.	.	H	α-helix	trans	-69.2	-41.7	175.3	-74	-66	-73.1	0	0	112	Y935 V936 S941 S942 I943 L976	Y935-M939 HydrophobicContact CD1-CG 4.42Å; Y935-M939 HydrophobicContact CD2-CG 4.18Å; Y935-M939 HydrophobicContact CE1-CG 4.1Å; Y935-M939 HydrophobicContact CE2-CG 3.83Å; Y935-M939 HydrophobicContact CE2-SD 4.3Å; Y935-M939 HydrophobicContact CG-CG 4.47Å; Y935-M939 WeakPolarHBondContact O-CB 3.28Å; Y935-M939 VanDerWaalsContact O-CG 3.3Å; Y935-M939 WeakPolarHBondContact O-CG 3.38Å; Y935-M939 PolarHBondContact O-N 3Å; V936-M939 PolarHBondContact O-N 3.17Å; M939-S941 VanDerWaalsContact C-N 3.34Å; M939-S941 PolarHBondContact O-N 3.15Å; M939-S942 PolarHBondContact O-N 3.39Å; M939-I943 WeakPolarHBondContact O-CB 3.42Å; M939-I943 VanDerWaalsContact O-CG1 3.22Å; M939-I943 WeakPolarHBondContact O-CG1 3.33Å; M939-I943 PolarHBondContact O-N 2.99Å; M939-L976 HydrophobicContact CB-CD1 4.29Å; M939-L976 HydrophobicContact CB-CD2 3.78Å; M939-L976 HydrophobicContact CG-CD1 4.27Å
940	E	89.3	Confident	88	Confident	62 Å²	62	52.1 Å²	52.1	29%	0.29	28%	0.275	S	S	.	.	H	α-helix	trans	-54.4	-50.5	170.6	-179.7	173.2	164.5	0	0	110.7	V936 S942 I943 A944 R997 M1001 M1005	V936-E940 VanDerWaalsContact O-CB 3.24Å; V936-E940 WeakPolarHBondContact O-CB 3.3Å; V936-E940 PolarHBondContact O-N 3.16Å; E940-S942 VanDerWaalsContact C-N 3.35Å; E940-S942 PolarHBondContact O-N 2.93Å; E940-I943 PolarHBondContact O-N 3.49Å; E940-A944 VanDerWaalsContact O-CB 3.32Å; E940-A944 WeakPolarHBondContact O-CB 3.45Å; E940-A944 PolarHBondContact O-N 3.11Å; E940-R997 IonicContact OE2-CZ 2.78Å; E940-R997 IonicContact OE2-NE 3.19Å; E940-R997 PolarHBondContact OE2-NE 3.23Å; E940-R997 IonicContact OE2-NH2 2.63Å; E940-R997 PolarHBondContact OE2-NH2 2.99Å; E940-M1001 HydrophobicContact CB-CG 4.34Å; E940-M1001 HydrophobicContact CB-SD 3.56Å; E940-M1001 VanDerWaalsContact CB-SD 3.56Å; E940-M1001 HydrophobicContact CG-CG 3.92Å; E940-M1001 HydrophobicContact CG-SD 3.83Å; E940-M1005 HydrophobicContact CG-CE 4.2Å
941	S	89.3	Confident	87.6	Confident	59 Å²	59	49.5 Å²	49.5	41%	0.413	26%	0.256	S	S	.	.	H	α-helix	trans	-62.9	-37.8	177.4	-61.2	0	0	0	0	113.3	D937 L938 M939 Q945	D937-S941 WeakPolarHBondContact O-CB 3.43Å; D937-S941 PolarHBondContact O-N 3.22Å; D937-S941 VanDerWaalsContact O-N 3.1Å; D937-S941 PolarHBondContact O-OG 2.92Å; L938-S941 PolarHBondContact O-N 2.96Å; M939-S941 VanDerWaalsContact C-N 3.34Å; M939-S941 PolarHBondContact O-N 3.15Å; S941-Q945 WeakPolarHBondContact O-CG 3.46Å; S941-Q945 PolarHBondContact O-N 3.25Å
942	S	88.3	Confident	87.1	Confident	58 Å²	58	54.1 Å²	54.1	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-69.7	-47.1	179.2	-176.5	0	0	0	0	111.5	L938 M939 E940 Q945 S946	L938-S942 WeakPolarHBondContact O-CB 3.48Å; L938-S942 PolarHBondContact O-N 3.43Å; M939-S942 PolarHBondContact O-N 3.39Å; E940-S942 VanDerWaalsContact C-N 3.35Å; E940-S942 PolarHBondContact O-N 2.93Å; S942-Q945 PolarHBondContact O-N 2.91Å; S942-S946 WeakPolarHBondContact O-CB 3.47Å; S942-S946 PolarHBondContact O-N 3.07Å
943	I	88.1	Confident	86.6	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-46	177.1	-68	167	0	0	0	110.2	M939 E940 Q945 S946 I947 L969 K972 L973 L976 M1005	M939-I943 WeakPolarHBondContact O-CB 3.42Å; M939-I943 VanDerWaalsContact O-CG1 3.22Å; M939-I943 WeakPolarHBondContact O-CG1 3.33Å; M939-I943 PolarHBondContact O-N 2.99Å; E940-I943 PolarHBondContact O-N 3.49Å; I943-Q945 VanDerWaalsContact C-N 3.31Å; I943-Q945 PolarHBondContact O-N 2.75Å; I943-S946 WeakPolarHBondContact O-CB 3.34Å; I943-S946 PolarHBondContact O-N 3.19Å; I943-S946 VanDerWaalsContact O-N 3.11Å; I943-I947 HydrophobicContact CG2-CD1 4.15Å; I943-I947 WeakPolarHBondContact O-CG1 3.45Å; I943-I947 PolarHBondContact O-N 2.82Å; I943-L969 HydrophobicContact CG2-CD1 3.43Å; I943-L969 VanDerWaalsContact CG2-CD1 3.43Å; I943-K972 HydrophobicContact CD1-CB 4.01Å; I943-K972 HydrophobicContact CG1-CB 3.96Å; I943-K972 HydrophobicContact CG1-CD 4.27Å; I943-L973 HydrophobicContact CD1-CD2 4.12Å; I943-L976 HydrophobicContact CD1-CD2 4.39Å; I943-M1005 HydrophobicContact CG2-CB 4.48Å; I943-M1005 HydrophobicContact CG2-CG 3.92Å; I943-M1005 HydrophobicContact CG2-SD 4.2Å
944	A	86.8	Confident	86.3	Confident	39 Å²	39	60.8 Å²	60.8	32%	0.322	31%	0.305	S	S	.	.	H	α-helix	trans	-57.1	-41.6	176	0	0	0	0	0	112.8	E940 H948 M1005	E940-A944 VanDerWaalsContact O-CB 3.32Å; E940-A944 WeakPolarHBondContact O-CB 3.45Å; E940-A944 PolarHBondContact O-N 3.11Å; A944-H948 PolarHBondContact O-N 3.44Å; A944-H948 VanDerWaalsContact O-N 3.1Å; A944-M1005 HydrophobicContact CB-CE 3.82Å; A944-M1005 HydrophobicContact CB-SD 4.13Å
945	Q	86.6	Confident	85.9	Confident	102 Å²	102	61.1 Å²	61.1	48%	0.477	32%	0.316	S	S	.	.	H	α-helix	trans	-71.4	-36.4	175.5	-73.9	-178.5	59.2	0	0	112.8	S941 S942 I943 H948 R949	S941-Q945 WeakPolarHBondContact O-CG 3.46Å; S941-Q945 PolarHBondContact O-N 3.25Å; S942-Q945 PolarHBondContact O-N 2.91Å; I943-Q945 VanDerWaalsContact C-N 3.31Å; I943-Q945 PolarHBondContact O-N 2.75Å; Q945-H948 PolarHBondContact O-N 3.2Å; Q945-R949 PolarHBondContact O-N 2.73Å
946	S	85.7	Confident	85.8	Confident	33 Å²	33	60 Å²	60	23%	0.231	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-49.6	174.4	-145.1	0	0	0	0	110.3	S942 I943 H948 G950 D968 K972	S942-S946 WeakPolarHBondContact O-CB 3.47Å; S942-S946 PolarHBondContact O-N 3.07Å; I943-S946 WeakPolarHBondContact O-CB 3.34Å; I943-S946 PolarHBondContact O-N 3.19Å; I943-S946 VanDerWaalsContact O-N 3.11Å; S946-H948 PolarHBondContact O-N 3.29Å; S946-G950 WeakPolarHBondContact O-CA 3.49Å; S946-G950 PolarHBondContact O-N 3.11Å; S946-D968 PolarHBondContact OG-OD2 3.25Å; S946-K972 PolarHBondContact OG-NZ 2.99Å
947	I	84.8	Confident	85.5	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-57.2	-51.2	174.5	-66.7	166.8	0	0	0	110.9	I943 F951 L969 M1005 A1008	I943-I947 HydrophobicContact CG2-CD1 4.15Å; I943-I947 WeakPolarHBondContact O-CG1 3.45Å; I943-I947 PolarHBondContact O-N 2.82Å; I947-F951 HydrophobicContact CG2-CD2 3.82Å; I947-F951 HydrophobicContact CG2-CE2 4.11Å; I947-F951 WeakPolarHBondContact O-CD2 3.49Å; I947-F951 PolarHBondContact O-N 2.85Å; I947-F951 VanDerWaalsContact O-N 3.11Å; I947-L969 HydrophobicContact CD1-CD1 3.71Å; I947-L969 HydrophobicContact CD1-CD2 4Å; I947-L969 HydrophobicContact CD1-CG 4.47Å; I947-L969 HydrophobicContact CG1-CD1 3.95Å; I947-L969 HydrophobicContact CG1-CD2 4.05Å; I947-L969 HydrophobicContact CG1-CG 4.46Å; I947-M1005 HydrophobicContact CD1-CB 3.76Å; I947-M1005 HydrophobicContact CD1-CG 4.03Å; I947-M1005 HydrophobicContact CD1-SD 3.51Å; I947-M1005 VanDerWaalsContact CD1-SD 3.51Å; I947-A1008 HydrophobicContact CG2-CB 4.42Å
948	H	83	Confident	85.1	Confident	93 Å²	93	67.7 Å²	67.7	43%	0.431	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-45.2	-172.1	-167.2	-18.3	0	0	0	112.4	A944 Q945 S946 E952	A944-H948 PolarHBondContact O-N 3.44Å; A944-H948 VanDerWaalsContact O-N 3.1Å; Q945-H948 PolarHBondContact O-N 3.2Å; S946-H948 PolarHBondContact O-N 3.29Å; H948-E952 IonicContact CE1-OE1 3.63Å; H948-E952 PolarHBondContact CE1-OE1 2.97Å; H948-E952 IonicContact ND1-OE1 3.69Å; H948-E952 PolarHBondContact ND1-OE1 3.01Å; H948-E952 WeakPolarHBondContact O-CG 3.28Å
949	R	83.4	Confident	84.6	Confident	155 Å²	155	66.6 Å²	66.6	59%	0.585	35%	0.35	S	S	*	.	H	α-helix	trans	-78.7	-36.8	179.9	-66.6	-178	-178.7	161.3	6.7	112.4	Q945 E952 Q953	Q945-R949 PolarHBondContact O-N 2.73Å; R949-E952 PolarHBondContact O-N 2.82Å; R949-Q953 PolarHBondContact O-N 3.32Å
950	G	82.6	Confident	84.1	Confident	19 Å²	19	70.9 Å²	70.9	20%	0.196	37%	0.374	C	S	.	.	H	α-helix	trans	-60	-55.2	178.7	0	0	0	0	0	111.4	S946 E952 Q953 E954	S946-G950 WeakPolarHBondContact O-CA 3.49Å; S946-G950 PolarHBondContact O-N 3.11Å; G950-E952 PolarHBondContact O-N 3.04Å; G950-Q953 CarbonylContact O-C 3.57Å; G950-Q953 PolarHBondContact O-N 3.28Å; G950-E954 WeakPolarHBondContact O-CA 3.45Å; G950-E954 WeakPolarHBondContact O-CB 3.3Å; G950-E954 PolarHBondContact O-N 2.86Å
951	F	82.5	Confident	83.6	Confident	23 Å²	23	71 Å²	71	10%	0.101	38%	0.377	C	S	.	.	H	α-helix	trans	-67.2	-17.5	-179.2	-77.5	-64.7	0	0	0	114.8	I947 W956 T965 C1009 R1012	I947-F951 HydrophobicContact CG2-CD2 3.82Å; I947-F951 HydrophobicContact CG2-CE2 4.11Å; I947-F951 WeakPolarHBondContact O-CD2 3.49Å; I947-F951 PolarHBondContact O-N 2.85Å; I947-F951 VanDerWaalsContact O-N 3.11Å; F951-W956 AromaticContact CD1-CH2 3.58Å; F951-W956 HydrophobicContact CD1-CH2 3.58Å; F951-W956 AromaticContact CD1-CZ2 3.79Å; F951-W956 HydrophobicContact CD1-CZ2 3.79Å; F951-W956 AromaticContact CE1-CH2 3.52Å; F951-W956 HydrophobicContact CE1-CH2 3.52Å; F951-W956 HydrophobicContact CE1-CZ2 4.21Å; F951-W956 HydrophobicContact CE1-CZ3 4.13Å; F951-T965 HydrophobicContact CD1-CG2 4.37Å; F951-T965 HydrophobicContact CD2-CG2 3.73Å; F951-T965 HydrophobicContact CE1-CG2 4.32Å; F951-T965 HydrophobicContact CE2-CG2 3.68Å; F951-T965 HydrophobicContact CG-CG2 4.08Å; F951-T965 HydrophobicContact CZ-CG2 3.99Å; F951-C1009 HydrophobicContact CE2-CB 4.21Å; F951-C1009 HydrophobicContact CZ-CB 4.42Å; F951-C1009 VanDerWaalsContact CZ-SG 3.55Å; F951-R1012 HydrophobicContact CB-CB 4.33Å; F951-R1012 HydrophobicContact CD2-CB 4.35Å; F951-R1012 HydrophobicContact CG-CB 4.19Å
952	E	78.8	Confident	83.4	Confident	138 Å²	138	68.3 Å²	68.3	65%	0.645	36%	0.358	S	S	*	.	H	α-helix	trans	-77.1	-30.1	170.1	-76.9	179.7	169.9	0	0	113.1	H948 R949 G950	H948-E952 IonicContact CE1-OE1 3.63Å; H948-E952 PolarHBondContact CE1-OE1 2.97Å; H948-E952 IonicContact ND1-OE1 3.69Å; H948-E952 PolarHBondContact ND1-OE1 3.01Å; H948-E952 WeakPolarHBondContact O-CG 3.28Å; R949-E952 PolarHBondContact O-N 2.82Å; G950-E952 PolarHBondContact O-N 3.04Å
953	Q	80.6	Confident	83.3	Confident	155 Å²	155	65.6 Å²	65.6	72%	0.724	34%	0.339	S	S	*	.	H	α-helix	trans	-103.9	-3	-178.7	-59.7	-175.7	19	0	0	112.9	R949 G950 T955	R949-Q953 PolarHBondContact O-N 3.32Å; G950-Q953 CarbonylContact O-C 3.57Å; G950-Q953 PolarHBondContact O-N 3.28Å; Q953-T955 PolarHBondContact O-N 3.31Å
954	E	83.8	Confident	83.2	Confident	24 Å²	24	68.2 Å²	68.2	11%	0.112	36%	0.361	C	S	.	.			trans	-59.9	124.7	-173.1	-177.2	54.3	-89.4	0	0	111.8	G950 W956 S963 T965	G950-E954 WeakPolarHBondContact O-CA 3.45Å; G950-E954 WeakPolarHBondContact O-CB 3.3Å; G950-E954 PolarHBondContact O-N 2.86Å; E954-W956 HydrophobicContact CB-CZ2 4.29Å; E954-W956 HydrophobicContact CG-CD2 3.59Å; E954-W956 VanDerWaalsContact CG-CE2 3.49Å; E954-W956 HydrophobicContact CG-CE3 4.07Å; E954-W956 HydrophobicContact CG-CG 3.85Å; E954-W956 HydrophobicContact CG-CH2 4.4Å; E954-W956 HydrophobicContact CG-CZ2 3.95Å; E954-W956 HydrophobicContact CG-CZ3 4.45Å; E954-W956 PolarHBondContact O-NE1 2.89Å; E954-W956 PolarHBondContact OE1-N 2.95Å; E954-S963 VanDerWaalsContact OE2-CB 3.22Å; E954-S963 WeakPolarHBondContact OE2-CB 3.41Å; E954-S963 PolarHBondContact OE2-OG 2.85Å; E954-T965 VanDerWaalsContact OE2-CB 3.29Å; E954-T965 WeakPolarHBondContact OE2-CB 3.47Å; E954-T965 PolarHBondContact OE2-N 3.28Å; E954-T965 VanDerWaalsContact OE2-N 3.08Å; E954-T965 PolarHBondContact OE2-OG1 3.5Å
955	T	81.1	Confident	83.2	Confident	91 Å²	91	67.1 Å²	67.1	56%	0.558	35%	0.35	S	S	*	.			trans	-85.4	-18.1	-179.9	65.1	0	0	0	0	112	Q953 Q957	Q953-T955 PolarHBondContact O-N 3.31Å; T955-Q957 VanDerWaalsContact C-N 3.3Å
956	W	87.8	Confident	83.3	Confident	22 Å²	22	62.2 Å²	62.2	8%	0.083	33%	0.327	C	S	.	.			trans	59.3	40.8	-177.8	-53.5	87.4	0	0	0	112.3	F951 E954 T1013 A1016 S1035 M1039 V1042	F951-W956 AromaticContact CD1-CH2 3.58Å; F951-W956 HydrophobicContact CD1-CH2 3.58Å; F951-W956 AromaticContact CD1-CZ2 3.79Å; F951-W956 HydrophobicContact CD1-CZ2 3.79Å; F951-W956 AromaticContact CE1-CH2 3.52Å; F951-W956 HydrophobicContact CE1-CH2 3.52Å; F951-W956 HydrophobicContact CE1-CZ2 4.21Å; F951-W956 HydrophobicContact CE1-CZ3 4.13Å; E954-W956 HydrophobicContact CB-CZ2 4.29Å; E954-W956 HydrophobicContact CG-CD2 3.59Å; E954-W956 VanDerWaalsContact CG-CE2 3.49Å; E954-W956 HydrophobicContact CG-CE3 4.07Å; E954-W956 HydrophobicContact CG-CG 3.85Å; E954-W956 HydrophobicContact CG-CH2 4.4Å; E954-W956 HydrophobicContact CG-CZ2 3.95Å; E954-W956 HydrophobicContact CG-CZ3 4.45Å; E954-W956 PolarHBondContact O-NE1 2.89Å; E954-W956 PolarHBondContact OE1-N 2.95Å; W956-T1013 HydrophobicContact CH2-CG2 4.05Å; W956-T1013 HydrophobicContact CZ3-CG2 3.94Å; W956-A1016 HydrophobicContact CH2-CB 4.19Å; W956-A1016 HydrophobicContact CZ2-CB 3.53Å; W956-S1035 VanDerWaalsContact CB-CB 3.49Å; W956-S1035 WeakPolarHBondContact O-CA 3.31Å; W956-M1039 HydrophobicContact CB-CE 4.42Å; W956-M1039 HydrophobicContact CD2-CE 3.46Å; W956-M1039 VanDerWaalsContact CD2-CE 3.46Å; W956-M1039 HydrophobicContact CD2-CG 3.76Å; W956-M1039 HydrophobicContact CD2-SD 4.5Å; W956-M1039 HydrophobicContact CE3-CB 4.33Å; W956-M1039 HydrophobicContact CE3-CE 4.06Å; W956-M1039 HydrophobicContact CE3-CG 3.31Å; W956-M1039 HydrophobicContact CG-CE 3.61Å; W956-M1039 HydrophobicContact CG-CG 4.48Å; W956-M1039 HydrophobicContact CH2-CG 4.18Å; W956-M1039 HydrophobicContact CZ2-CE 4.15Å; W956-M1039 HydrophobicContact CZ3-CB 4.35Å; W956-M1039 HydrophobicContact CZ3-CG 3.56Å; W956-V1042 HydrophobicContact CZ3-CG2 4.46Å
957	Q	83.9	Confident	83.5	Confident	131 Å²	131	62.7 Å²	62.7	61%	0.612	33%	0.326	S	S	*	.			trans	-79.5	142.4	161.5	-64.3	-176.2	21.3	0	0	108.9	T955 V959	T955-Q957 VanDerWaalsContact C-N 3.3Å; Q957-V959 PolarHBondContact O-N 3.22Å
958	P	80.8	Confident	83.6	Confident	93 Å²	93	64.8 Å²	64.8	60%	0.604	34%	0.337	S	S	*	.			trans	-68.1	129.4	177.7	28.4	-33.8	0	0	0	110.7
959	V	79.3	Confident	83.9	Confident	56 Å²	56	60.4 Å²	60.4	34%	0.339	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-132.9	119.7	172.5	-179.1	0	0	0	0	106.6	Q957 N961 G962 A964 E967	Q957-V959 PolarHBondContact O-N 3.22Å; V959-N961 PolarHBondContact O-N 2.67Å; V959-N961 VanDerWaalsContact O-N 3.07Å; V959-G962 PolarHBondContact N-O 2.93Å; V959-G962 CarbonylContact O-C 3.57Å; V959-G962 PolarHBondContact O-N 3Å; V959-A964 HydrophobicContact CG2-CB 4.29Å; V959-E967 HydrophobicContact CG1-CG 4.33Å; V959-E967 WeakPolarHBondContact O-CG 3.34Å
960	N	80.3	Confident	84.2	Confident	131 Å²	131	53.5 Å²	53.5	70%	0.701	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	-109.5	-171.3	-51	-26.8	0	0	0	112.6	E967	N960-E967 HydrophobicContact CB-CG 4.45Å; N960-E967 VanDerWaalsContact CB-OE2 3.32Å; N960-E967 WeakPolarHBondContact CB-OE2 3.36Å; N960-E967 PolarHBondContact ND2-OE2 2.76Å
961	N	77.9	Confident	84.5	Confident	65 Å²	65	61 Å²	61	35%	0.348	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-11.6	-179.1	-71.7	-9.9	0	0	0	113.4	V959 E967 N1041 D1045	V959-N961 PolarHBondContact O-N 2.67Å; V959-N961 VanDerWaalsContact O-N 3.07Å; N961-E967 PolarHBondContact N-OE1 2.9Å; N961-N1041 CarbonylContact O-C 3.59Å; N961-N1041 WeakPolarHBondContact O-CB 3.44Å; N961-D1045 HydrophobicContact CB-CB 4.01Å; N961-D1045 VanDerWaalsContact CB-OD1 3.31Å; N961-D1045 WeakPolarHBondContact CB-OD1 3.24Å; N961-D1045 PolarHBondContact ND2-OD1 2.74Å
962	G	84.5	Confident	84.8	Confident	2 Å²	2	61.8 Å²	61.8	2%	0.021	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-141.9	-131.2	-174.3	0	0	0	0	0	113.6	V959 E967 T1038	V959-G962 PolarHBondContact N-O 2.93Å; V959-G962 CarbonylContact O-C 3.57Å; V959-G962 PolarHBondContact O-N 3Å; G962-E967 PolarHBondContact N-OE1 2.68Å; G962-E967 VanDerWaalsContact N-OE1 3.13Å; G962-T1038 WeakPolarHBondContact O-CG2 3.26Å
963	S	87.5	Confident	85.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.286	C	S	.	.			trans	-118.3	167.7	172.7	81.5	0	0	0	0	110.5	E954 T965 S966 E967	E954-S963 VanDerWaalsContact OE2-CB 3.22Å; E954-S963 WeakPolarHBondContact OE2-CB 3.41Å; E954-S963 PolarHBondContact OE2-OG 2.85Å; S963-T965 PolarHBondContact O-N 3.17Å; S963-T965 VanDerWaalsContact O-N 3.16Å; S963-S966 PolarHBondContact N-OG 3.41Å; S963-S966 PolarHBondContact O-N 3.14Å; S963-S966 VanDerWaalsContact O-N 3.07Å; S963-S966 PolarHBondContact O-OG 2.91Å; S963-E967 WeakPolarHBondContact O-CG 3.24Å; S963-E967 PolarHBondContact O-N 3.42Å
964	A	86.4	Confident	85.6	Confident	57 Å²	57	50 Å²	50	47%	0.471	26%	0.264	S	S	.	.	H	α-helix	trans	-53.1	-38.9	179	0	0	0	0	0	112.7	V959 D968	V959-A964 HydrophobicContact CG2-CB 4.29Å; A964-D968 VanDerWaalsContact O-CB 3.28Å; A964-D968 WeakPolarHBondContact O-CB 3.48Å; A964-D968 PolarHBondContact O-N 3.21Å
965	T	87	Confident	85.8	Confident	15 Å²	15	50.9 Å²	50.9	9%	0.092	28%	0.275	C	S	.	.	H	α-helix	trans	-70.7	-36.3	178.5	-47.7	0	0	0	0	113.3	F951 E954 S963 L969	F951-T965 HydrophobicContact CD1-CG2 4.37Å; F951-T965 HydrophobicContact CD2-CG2 3.73Å; F951-T965 HydrophobicContact CE1-CG2 4.32Å; F951-T965 HydrophobicContact CE2-CG2 3.68Å; F951-T965 HydrophobicContact CG-CG2 4.08Å; F951-T965 HydrophobicContact CZ-CG2 3.99Å; E954-T965 VanDerWaalsContact OE2-CB 3.29Å; E954-T965 WeakPolarHBondContact OE2-CB 3.47Å; E954-T965 PolarHBondContact OE2-N 3.28Å; E954-T965 VanDerWaalsContact OE2-N 3.08Å; E954-T965 PolarHBondContact OE2-OG1 3.5Å; S963-T965 PolarHBondContact O-N 3.17Å; S963-T965 VanDerWaalsContact O-N 3.16Å; T965-L969 WeakPolarHBondContact O-CB 3.38Å; T965-L969 PolarHBondContact O-N 3.07Å
966	S	88.7	Confident	86.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-76.1	-39.3	-179.4	64.6	0	0	0	0	112.3	S963 L969 F970	S963-S966 PolarHBondContact N-OG 3.41Å; S963-S966 PolarHBondContact O-N 3.14Å; S963-S966 VanDerWaalsContact O-N 3.07Å; S963-S966 PolarHBondContact O-OG 2.91Å; S966-L969 WeakPolarHBondContact O-CB 3.35Å; S966-L969 PolarHBondContact O-N 2.87Å; S966-F970 WeakPolarHBondContact O-CD2 3.3Å; S966-F970 VanDerWaalsContact O-CG 3.25Å; S966-F970 WeakPolarHBondContact O-CG 3.08Å; S966-F970 PolarHBondContact O-N 3.33Å
967	E	88.2	Confident	86.2	Confident	42 Å²	42	47.4 Å²	47.4	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-65.5	-44.8	178	-63.4	-79.7	148.6	0	0	110.9	V959 N960 N961 G962 S963 L969 F970 W971	V959-E967 HydrophobicContact CG1-CG 4.33Å; V959-E967 WeakPolarHBondContact O-CG 3.34Å; N960-E967 HydrophobicContact CB-CG 4.45Å; N960-E967 VanDerWaalsContact CB-OE2 3.32Å; N960-E967 WeakPolarHBondContact CB-OE2 3.36Å; N960-E967 PolarHBondContact ND2-OE2 2.76Å; N961-E967 PolarHBondContact N-OE1 2.9Å; G962-E967 PolarHBondContact N-OE1 2.68Å; G962-E967 VanDerWaalsContact N-OE1 3.13Å; S963-E967 WeakPolarHBondContact O-CG 3.24Å; S963-E967 PolarHBondContact O-N 3.42Å; E967-L969 VanDerWaalsContact C-N 3.31Å; E967-L969 PolarHBondContact O-N 2.92Å; E967-F970 PolarHBondContact O-N 3.4Å; E967-W971 WeakPolarHBondContact O-CB 3.49Å; E967-W971 PolarHBondContact O-N 2.8Å
968	D	86.9	Confident	86.3	Confident	48 Å²	48	45.5 Å²	45.5	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-57.1	-42.3	172.6	175	71.3	0	0	0	112.3	S946 A964 K972	S946-D968 PolarHBondContact OG-OD2 3.25Å; A964-D968 VanDerWaalsContact O-CB 3.28Å; A964-D968 WeakPolarHBondContact O-CB 3.48Å; A964-D968 PolarHBondContact O-N 3.21Å; D968-K972 WeakPolarHBondContact O-CB 2.79Å; D968-K972 WeakPolarHBondContact O-CD 3.23Å; D968-K972 VanDerWaalsContact O-CG 3.28Å; D968-K972 WeakPolarHBondContact O-CG 3.38Å; D968-K972 PolarHBondContact O-N 3.25Å; D968-K972 WeakPolarHBondContact OD1-CE 3.29Å; D968-K972 IonicContact OD1-NZ 3.85Å; D968-K972 PolarHBondContact OD1-NZ 3.47Å; D968-K972 IonicContact OD2-NZ 3.86Å; D968-K972 PolarHBondContact OD2-NZ 3.3Å
969	L	89.5	Confident	86.7	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-54.7	176.2	169.8	59.5	0	0	0	111.9	I943 I947 T965 S966 E967 W971 K972 L973 M1005 C1009	I943-L969 HydrophobicContact CG2-CD1 3.43Å; I943-L969 VanDerWaalsContact CG2-CD1 3.43Å; I947-L969 HydrophobicContact CD1-CD1 3.71Å; I947-L969 HydrophobicContact CD1-CD2 4Å; I947-L969 HydrophobicContact CD1-CG 4.47Å; I947-L969 HydrophobicContact CG1-CD1 3.95Å; I947-L969 HydrophobicContact CG1-CD2 4.05Å; I947-L969 HydrophobicContact CG1-CG 4.46Å; T965-L969 WeakPolarHBondContact O-CB 3.38Å; T965-L969 PolarHBondContact O-N 3.07Å; S966-L969 WeakPolarHBondContact O-CB 3.35Å; S966-L969 PolarHBondContact O-N 2.87Å; E967-L969 VanDerWaalsContact C-N 3.31Å; E967-L969 PolarHBondContact O-N 2.92Å; L969-W971 VanDerWaalsContact C-N 3.33Å; L969-W971 PolarHBondContact O-N 2.96Å; L969-K972 PolarHBondContact O-N 3.23Å; L969-L973 HydrophobicContact CD1-CD1 3.75Å; L969-L973 HydrophobicContact CD1-CG 4.02Å; L969-L973 HydrophobicContact CG-CD1 4.14Å; L969-L973 WeakPolarHBondContact O-CG 3.38Å; L969-L973 PolarHBondContact O-N 2.92Å; L969-M1005 HydrophobicContact CD1-CB 4.12Å; L969-C1009 HydrophobicContact CD2-CB 3.73Å
970	F	89.3	Confident	87.1	Confident	10 Å²	10	40.9 Å²	40.9	4%	0.044	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-40.6	-175.7	-59.3	-38.5	0	0	0	111.3	S966 E967 L973 D974 L1006 D1045 A1046 Q1049	S966-F970 WeakPolarHBondContact O-CD2 3.3Å; S966-F970 VanDerWaalsContact O-CG 3.25Å; S966-F970 WeakPolarHBondContact O-CG 3.08Å; S966-F970 PolarHBondContact O-N 3.33Å; E967-F970 PolarHBondContact O-N 3.4Å; F970-L973 PolarHBondContact O-N 2.84Å; F970-D974 WeakPolarHBondContact O-CB 3.4Å; F970-D974 PolarHBondContact O-N 3.01Å; F970-L1006 HydrophobicContact CD1-CD1 4.25Å; F970-L1006 HydrophobicContact CE1-CD1 3.99Å; F970-L1006 HydrophobicContact CE1-CG 4.13Å; F970-D1045 HydrophobicContact CE2-CB 4.44Å; F970-A1046 HydrophobicContact CZ-CB 3.91Å; F970-Q1049 HydrophobicContact CB-CG 4.22Å; F970-Q1049 HydrophobicContact CD1-CB 4.07Å; F970-Q1049 HydrophobicContact CD1-CG 3.99Å; F970-Q1049 HydrophobicContact CD2-CG 3.69Å; F970-Q1049 HydrophobicContact CE1-CB 4.22Å; F970-Q1049 HydrophobicContact CE1-CG 4.26Å; F970-Q1049 HydrophobicContact CE2-CG 3.96Å; F970-Q1049 HydrophobicContact CG-CB 4.29Å; F970-Q1049 HydrophobicContact CG-CG 3.72Å; F970-Q1049 HydrophobicContact CZ-CG 4.25Å
971	W	89.7	Confident	87.4	Confident	175 Å²	175	41.2 Å²	41.2	66%	0.663	21%	0.208	S	C	*	.	H	α-helix	trans	-61.4	-43.6	174.6	177.9	74.4	0	0	0	112.7	E967 L969 D974 A975	E967-W971 WeakPolarHBondContact O-CB 3.49Å; E967-W971 PolarHBondContact O-N 2.8Å; L969-W971 VanDerWaalsContact C-N 3.33Å; L969-W971 PolarHBondContact O-N 2.96Å; W971-D974 PolarHBondContact O-N 3.41Å; W971-A975 VanDerWaalsContact O-CB 3.26Å; W971-A975 WeakPolarHBondContact O-CB 3.17Å; W971-A975 PolarHBondContact O-N 3.39Å
972	K	89.7	Confident	87.8	Confident	40 Å²	40	41.2 Å²	41.2	17%	0.174	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-38.2	177.4	-78.6	169	176.5	159.2	0	113.3	I943 S946 D968 L969 L976	I943-K972 HydrophobicContact CD1-CB 4.01Å; I943-K972 HydrophobicContact CG1-CB 3.96Å; I943-K972 HydrophobicContact CG1-CD 4.27Å; S946-K972 PolarHBondContact OG-NZ 2.99Å; D968-K972 WeakPolarHBondContact O-CB 2.79Å; D968-K972 WeakPolarHBondContact O-CD 3.23Å; D968-K972 VanDerWaalsContact O-CG 3.28Å; D968-K972 WeakPolarHBondContact O-CG 3.38Å; D968-K972 PolarHBondContact O-N 3.25Å; D968-K972 WeakPolarHBondContact OD1-CE 3.29Å; D968-K972 IonicContact OD1-NZ 3.85Å; D968-K972 PolarHBondContact OD1-NZ 3.47Å; D968-K972 IonicContact OD2-NZ 3.86Å; D968-K972 PolarHBondContact OD2-NZ 3.3Å; L969-K972 PolarHBondContact O-N 3.23Å; K972-L976 WeakPolarHBondContact O-CB 3.48Å; K972-L976 PolarHBondContact O-N 3.4Å
973	L	89.4	Confident	87.9	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-67.2	-45.2	175.5	-71.2	173	0	0	0	111.3	I943 L969 F970 L976 Q977 M1001 A1002 M1005 L1006 L1053	I943-L973 HydrophobicContact CD1-CD2 4.12Å; L969-L973 HydrophobicContact CD1-CD1 3.75Å; L969-L973 HydrophobicContact CD1-CG 4.02Å; L969-L973 HydrophobicContact CG-CD1 4.14Å; L969-L973 WeakPolarHBondContact O-CG 3.38Å; L969-L973 PolarHBondContact O-N 2.92Å; F970-L973 PolarHBondContact O-N 2.84Å; L973-L976 PolarHBondContact O-N 3.01Å; L973-Q977 WeakPolarHBondContact O-CG 3.42Å; L973-Q977 PolarHBondContact O-N 3.36Å; L973-M1001 HydrophobicContact CD2-CE 3.72Å; L973-A1002 HydrophobicContact CD1-CB 4.26Å; L973-A1002 HydrophobicContact CD2-CB 4.16Å; L973-M1005 HydrophobicContact CD1-CB 4.32Å; L973-L1006 HydrophobicContact CD1-CD1 3.67Å; L973-L1053 HydrophobicContact CB-CD1 3.95Å; L973-L1053 HydrophobicContact CB-CD2 4.4Å; L973-L1053 HydrophobicContact CD1-CD1 4.15Å
974	D	86.2	Confident	87.8	Confident	46 Å²	46	44.1 Å²	44.1	25%	0.246	22%	0.221	C	C	.	.	H	α-helix	trans	-63.9	-46.7	179.7	-153.7	53.7	0	0	0	111.8	F970 W971 L976 Q977 M978 K1052 L1053	F970-D974 WeakPolarHBondContact O-CB 3.4Å; F970-D974 PolarHBondContact O-N 3.01Å; W971-D974 PolarHBondContact O-N 3.41Å; D974-L976 VanDerWaalsContact C-N 3.31Å; D974-L976 PolarHBondContact O-N 3.02Å; D974-Q977 PolarHBondContact O-N 3.46Å; D974-M978 WeakPolarHBondContact O-CG 3.35Å; D974-M978 PolarHBondContact O-N 3.14Å; D974-K1052 VanDerWaalsContact OD1-CE 3.27Å; D974-K1052 WeakPolarHBondContact OD1-CE 3.3Å; D974-K1052 IonicContact OD1-NZ 3.23Å; D974-K1052 PolarHBondContact OD1-NZ 2.64Å; D974-K1052 IonicContact OD2-NZ 3.66Å; D974-K1052 PolarHBondContact OD2-NZ 3.43Å; D974-L1053 HydrophobicContact CB-CD2 4.05Å; D974-L1053 WeakPolarHBondContact OD1-CD2 3.16Å
975	A	88.2	Confident	87.9	Confident	42 Å²	42	42.4 Å²	42.4	35%	0.347	20%	0.202	S	C	.	.	H	α-helix	trans	-62.2	-36.2	178	0	0	0	0	0	112.8	W971 F979	W971-A975 VanDerWaalsContact O-CB 3.26Å; W971-A975 WeakPolarHBondContact O-CB 3.17Å; W971-A975 PolarHBondContact O-N 3.39Å; A975-F979 WeakPolarHBondContact O-CB 3.3Å; A975-F979 PolarHBondContact O-N 3.44Å
976	L	89.4	Confident	87.8	Confident	2 Å²	2	43 Å²	43	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-73.4	-35.3	177.3	-177.5	60.5	0	0	0	112.6	Y935 M939 I943 K972 L973 D974 F979 V980 L998 M1001	Y935-L976 HydrophobicContact CD1-CD1 4.02Å; Y935-L976 HydrophobicContact CE1-CD1 3.52Å; M939-L976 HydrophobicContact CB-CD1 4.29Å; M939-L976 HydrophobicContact CB-CD2 3.78Å; M939-L976 HydrophobicContact CG-CD1 4.27Å; I943-L976 HydrophobicContact CD1-CD2 4.39Å; K972-L976 WeakPolarHBondContact O-CB 3.48Å; K972-L976 PolarHBondContact O-N 3.4Å; L973-L976 PolarHBondContact O-N 3.01Å; D974-L976 VanDerWaalsContact C-N 3.31Å; D974-L976 PolarHBondContact O-N 3.02Å; L976-F979 HydrophobicContact CD1-CD1 4.32Å; L976-V980 PolarHBondContact O-N 2.98Å; L976-L998 HydrophobicContact CD2-CD2 3.8Å; L976-L998 HydrophobicContact CG-CD2 3.81Å; L976-M1001 HydrophobicContact CD2-CE 3.55Å; L976-M1001 HydrophobicContact CD2-SD 4.35Å
977	Q	86.8	Confident	87.6	Confident	38 Å²	38	47 Å²	47	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-44.4	172.9	-72.7	-175.5	-0.9	0	0	111.7	L973 D974 F979 V980 F981 L998 L1053	L973-Q977 WeakPolarHBondContact O-CG 3.42Å; L973-Q977 PolarHBondContact O-N 3.36Å; D974-Q977 PolarHBondContact O-N 3.46Å; Q977-F979 PolarHBondContact O-N 3.25Å; Q977-V980 PolarHBondContact O-N 3.22Å; Q977-F981 WeakPolarHBondContact O-CB 3.48Å; Q977-F981 PolarHBondContact O-N 3Å; Q977-L998 HydrophobicContact CG-CB 4.29Å; Q977-L998 HydrophobicContact CG-CD1 4.3Å; Q977-L1053 PolarHBondContact NE2-O 3.16Å; Q977-L1053 PolarHBondContact OE1-O 2.98Å
978	M	87	Confident	87.4	Confident	90 Å²	90	53.1 Å²	53.1	44%	0.443	25%	0.254	S	S	.	.	H	α-helix	trans	-59.9	-45.1	173.3	-71.6	-55.2	-48.5	0	0	111.8	D974 V980 F981 D982	D974-M978 WeakPolarHBondContact O-CG 3.35Å; D974-M978 PolarHBondContact O-N 3.14Å; M978-V980 PolarHBondContact O-N 3.12Å; M978-F981 HydrophobicContact CE-CD1 4.46Å; M978-F981 WeakPolarHBondContact O-CB 3.43Å; M978-F981 PolarHBondContact O-N 3.03Å; M978-D982 WeakPolarHBondContact O-CB 3.25Å; M978-D982 VanDerWaalsContact O-CG 3.25Å; M978-D982 PolarHBondContact O-N 3.42Å
979	F	89.1	Confident	87.3	Confident	36 Å²	36	59.2 Å²	59.2	16%	0.158	28%	0.281	C	S	.	.	H	α-helix	trans	-54.6	-50.3	176.2	167.1	-97.4	0	0	0	112.7	F899 Y935 A975 L976 Q977 F981 D982 L983	F899-F979 HydrophobicContact CB-CE2 4.06Å; F899-F979 HydrophobicContact CB-CZ 4.36Å; F899-F979 HydrophobicContact CD1-CZ 4.01Å; F899-F979 AromaticContact CD2-CE2 3.65Å; F899-F979 HydrophobicContact CD2-CE2 3.65Å; F899-F979 AromaticContact CD2-CZ 3.46Å; F899-F979 HydrophobicContact CD2-CZ 3.46Å; F899-F979 VanDerWaalsContact CD2-CZ 3.46Å; F899-F979 HydrophobicContact CE1-CZ 4.12Å; F899-F979 HydrophobicContact CE2-CE1 4.47Å; F899-F979 HydrophobicContact CE2-CE2 4.18Å; F899-F979 AromaticContact CE2-CZ 3.57Å; F899-F979 HydrophobicContact CE2-CZ 3.57Å; F899-F979 AromaticContact CG-CE2 3.86Å; F899-F979 HydrophobicContact CG-CE2 3.86Å; F899-F979 AromaticContact CG-CZ 3.7Å; F899-F979 HydrophobicContact CG-CZ 3.7Å; F899-F979 AromaticContact CZ-CZ 3.91Å; F899-F979 HydrophobicContact CZ-CZ 3.91Å; Y935-F979 AromaticContact CD1-CD1 3.88Å; Y935-F979 HydrophobicContact CD1-CD1 3.88Å; Y935-F979 AromaticContact CD1-CE1 3.43Å; Y935-F979 HydrophobicContact CD1-CE1 3.43Å; Y935-F979 VanDerWaalsContact CD1-CE1 3.43Å; Y935-F979 HydrophobicContact CD1-CZ 4.04Å; Y935-F979 AromaticContact CE1-CD1 3.49Å; Y935-F979 HydrophobicContact CE1-CD1 3.49Å; Y935-F979 VanDerWaalsContact CE1-CD1 3.49Å; Y935-F979 AromaticContact CE1-CE1 3.49Å; Y935-F979 HydrophobicContact CE1-CE1 3.49Å; Y935-F979 VanDerWaalsContact CE1-CE1 3.49Å; Y935-F979 HydrophobicContact CE1-CG 4.08Å; Y935-F979 HydrophobicContact CE1-CZ 4.05Å; A975-F979 WeakPolarHBondContact O-CB 3.3Å; A975-F979 PolarHBondContact O-N 3.44Å; L976-F979 HydrophobicContact CD1-CD1 4.32Å; Q977-F979 PolarHBondContact O-N 3.25Å; F979-F981 VanDerWaalsContact C-N 3.34Å; F979-F981 PolarHBondContact O-N 3.46Å; F979-D982 PolarHBondContact O-N 2.78Å; F979-L983 HydrophobicContact CD1-CD1 4.48Å; F979-L983 HydrophobicContact CE1-CD1 3.76Å; F979-L983 HydrophobicContact CE1-CG 4.27Å; F979-L983 HydrophobicContact CE2-CD2 4.21Å; F979-L983 HydrophobicContact CE2-CG 4.44Å; F979-L983 HydrophobicContact CZ-CD1 3.88Å; F979-L983 HydrophobicContact CZ-CD2 4.03Å; F979-L983 HydrophobicContact CZ-CG 4.1Å; F979-L983 WeakPolarHBondContact O-CG 3.41Å; F979-L983 PolarHBondContact O-N 3.36Å; F979-L983 VanDerWaalsContact O-N 3.09Å
980	V	87.1	Confident	87.2	Confident	17 Å²	17	60.7 Å²	60.7	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-70.3	-30.9	-179.5	171.7	0	0	0	0	112.4	V936 L976 Q977 M978 L994 L998	V936-V980 HydrophobicContact CG2-CG2 4.46Å; L976-V980 PolarHBondContact O-N 2.98Å; Q977-V980 PolarHBondContact O-N 3.22Å; M978-V980 PolarHBondContact O-N 3.12Å; V980-L994 HydrophobicContact CG1-CB 4.02Å; V980-L994 HydrophobicContact CG1-CD1 4.02Å; V980-L998 HydrophobicContact CB-CD1 3.66Å; V980-L998 HydrophobicContact CG1-CD1 3.94Å; V980-L998 HydrophobicContact CG2-CD1 3.75Å
981	F	85.8	Confident	87	Confident	138 Å²	138	61.7 Å²	61.7	61%	0.605	30%	0.297	S	S	*	.	H	α-helix	trans	-63.3	-47.9	170.7	-176.5	-93.2	0	0	0	111.3	Q977 M978 F979 L983 H984	Q977-F981 WeakPolarHBondContact O-CB 3.48Å; Q977-F981 PolarHBondContact O-N 3Å; M978-F981 HydrophobicContact CE-CD1 4.46Å; M978-F981 WeakPolarHBondContact O-CB 3.43Å; M978-F981 PolarHBondContact O-N 3.03Å; F979-F981 VanDerWaalsContact C-N 3.34Å; F979-F981 PolarHBondContact O-N 3.46Å; F981-L983 VanDerWaalsContact C-N 3.26Å; F981-L983 PolarHBondContact O-N 2.88Å; F981-H984 PolarHBondContact O-N 3.05Å
982	D	86.7	Confident	86.8	Confident	65 Å²	65	57.8 Å²	57.8	35%	0.348	29%	0.286	S	S	.	.	H	α-helix	trans	-68.6	-20.4	-178.4	-68.4	-25.3	0	0	0	113.4	Q903 M978 F979 H984	Q903-D982 PolarHBondContact NE2-O 3.4Å; M978-D982 WeakPolarHBondContact O-CB 3.25Å; M978-D982 VanDerWaalsContact O-CG 3.25Å; M978-D982 PolarHBondContact O-N 3.42Å; F979-D982 PolarHBondContact O-N 2.78Å; D982-H984 PolarHBondContact O-N 3.21Å; D982-H984 PolarHBondContact O-ND1 2.96Å
983	L	87.4	Confident	86.7	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.9	167.1	-70.6	179.5	0	0	0	112.7	F899 F902 Q903 N906 V932 F979 F981 W985	F899-L983 HydrophobicContact CB-CD2 4.45Å; F899-L983 HydrophobicContact CD1-CD2 4.2Å; F902-L983 HydrophobicContact CD1-CD2 3.91Å; F902-L983 HydrophobicContact CE1-CB 4.33Å; F902-L983 HydrophobicContact CE1-CD2 4.3Å; F902-L983 WeakPolarHBondContact CE1-O 3.34Å; Q903-L983 HydrophobicContact CG-CD2 4.08Å; N906-L983 PolarHBondContact ND2-O 3.47Å; V932-L983 HydrophobicContact CG1-CD1 4Å; V932-L983 HydrophobicContact CG2-CD1 3.66Å; F979-L983 HydrophobicContact CD1-CD1 4.48Å; F979-L983 HydrophobicContact CE1-CD1 3.76Å; F979-L983 HydrophobicContact CE1-CG 4.27Å; F979-L983 HydrophobicContact CE2-CD2 4.21Å; F979-L983 HydrophobicContact CE2-CG 4.44Å; F979-L983 HydrophobicContact CZ-CD1 3.88Å; F979-L983 HydrophobicContact CZ-CD2 4.03Å; F979-L983 HydrophobicContact CZ-CG 4.1Å; F979-L983 WeakPolarHBondContact O-CG 3.41Å; F979-L983 PolarHBondContact O-N 3.36Å; F979-L983 VanDerWaalsContact O-N 3.09Å; F981-L983 VanDerWaalsContact C-N 3.26Å; F981-L983 PolarHBondContact O-N 2.88Å; L983-W985 PolarHBondContact O-N 3.36Å
984	H	86	Confident	86.5	Confident	61 Å²	61	60.5 Å²	60.5	28%	0.282	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	51.5	178	-67.6	100.4	0	0	0	114.1	N906 R910 F981 D982	N906-H984 PolarHBondContact ND2-O 3.23Å; R910-H984 PolarHBondContact NH1-CD2 3Å; R910-H984 PolarHBondContact NH2-CD2 2.74Å; F981-H984 PolarHBondContact O-N 3.05Å; D982-H984 PolarHBondContact O-N 3.21Å; D982-H984 PolarHBondContact O-ND1 2.96Å
985	W	88.6	Confident	86.5	Confident	21 Å²	21	62.3 Å²	62.3	8%	0.08	31%	0.306	C	S	.	.			trans	-58.4	130.2	-166.5	-162.2	-87.3	0	0	0	113.7	F902 Q925 F928 V929 V932 L983 F990 A991	F902-W985 AromaticContact CE1-CE3 3.91Å; F902-W985 HydrophobicContact CE1-CE3 3.91Å; F902-W985 AromaticContact CE1-CZ3 3.84Å; F902-W985 HydrophobicContact CE1-CZ3 3.84Å; F902-W985 HydrophobicContact CE2-CE3 4.42Å; F902-W985 AromaticContact CE2-CH2 3.9Å; F902-W985 HydrophobicContact CE2-CH2 3.9Å; F902-W985 AromaticContact CE2-CZ3 3.73Å; F902-W985 HydrophobicContact CE2-CZ3 3.73Å; F902-W985 HydrophobicContact CZ-CD2 4.29Å; F902-W985 AromaticContact CZ-CE3 3.53Å; F902-W985 HydrophobicContact CZ-CE3 3.53Å; F902-W985 AromaticContact CZ-CH2 3.82Å; F902-W985 HydrophobicContact CZ-CH2 3.82Å; F902-W985 AromaticContact CZ-CZ3 3.27Å; F902-W985 HydrophobicContact CZ-CZ3 3.27Å; Q925-W985 HydrophobicContact CB-CH2 4.44Å; Q925-W985 HydrophobicContact CB-CZ2 3.83Å; Q925-W985 HydrophobicContact CG-CZ2 4Å; F928-W985 HydrophobicContact CB-CH2 4.08Å; F928-W985 HydrophobicContact CB-CZ3 4.27Å; V929-W985 HydrophobicContact CG2-CH2 3.84Å; V929-W985 HydrophobicContact CG2-CZ2 3.45Å; V929-W985 VanDerWaalsContact CG2-CZ2 3.45Å; V932-W985 HydrophobicContact CG2-CZ3 4.03Å; L983-W985 PolarHBondContact O-N 3.36Å; W985-F990 AromaticContact CD1-CD1 3.65Å; W985-F990 AromaticContact CD2-CD1 3.8Å; W985-F990 HydrophobicContact CD2-CD1 3.8Å; W985-F990 HydrophobicContact CD2-CE1 4.07Å; W985-F990 AromaticContact CE2-CD1 3.54Å; W985-F990 AromaticContact CE2-CE1 3.92Å; W985-F990 HydrophobicContact CE3-CE1 4.38Å; W985-F990 AromaticContact CG-CD1 3.92Å; W985-F990 HydrophobicContact CG-CD1 3.92Å; W985-F990 HydrophobicContact CH2-CE1 4.49Å; W985-F990 HydrophobicContact CZ2-CD1 4.15Å; W985-F990 HydrophobicContact CZ2-CE1 4.17Å; W985-F990 AromaticContact NE1-CD1 3.41Å; W985-A991 HydrophobicContact CB-CB 4Å
986	P	84.1	Confident	86.3	Confident	27 Å²	27	63.1 Å²	63.1	18%	0.175	30%	0.303	C	S	.	.	S	Bend	trans	-69.5	-40.4	-172.1	-23.7	35.7	0	0	0	115.3	N906 H921 Q925 Q988	N906-P986 VanDerWaalsContact OD1-CG 3.3Å; N906-P986 WeakPolarHBondContact OD1-CG 3.18Å; H921-P986 WeakPolarHBondContact NE2-CG 3.44Å; Q925-P986 HydrophobicContact CG-CG 4.26Å; P986-Q988 PolarHBondContact O-N 2.89Å
987	E	85.1	Confident	86.2	Confident	85 Å²	85	65.9 Å²	65.9	40%	0.397	31%	0.313	S	S	.	.			trans	-80.1	110.8	-178.8	-68.2	-173.7	139.1	0	0	110.4	E989 F990 A991	E987-E989 PolarHBondContact O-N 3.22Å; E987-F990 HydrophobicContact CB-CB 4.38Å; E987-F990 PolarHBondContact O-N 3.16Å; E987-A991 WeakPolarHBondContact O-CB 3.28Å; E987-A991 PolarHBondContact O-N 3.46Å
988	Q	82.5	Confident	86.2	Confident	170 Å²	170	64.3 Å²	64.3	79%	0.794	31%	0.306	S	S	*	.	H	α-helix	trans	-57.6	-34.7	-177.3	-67.9	-176.8	-15.2	0	0	113.1	P986 H992	P986-Q988 PolarHBondContact O-N 2.89Å; Q988-H992 WeakPolarHBondContact O-CB 3.24Å; Q988-H992 PolarHBondContact O-N 3.29Å
989	E	85.5	Confident	86	Confident	177 Å²	177	61.5 Å²	61.5	83%	0.827	29%	0.291	S	S	*	.	H	α-helix	trans	-64.6	-47	178.1	-62.3	-173.3	178.1	0	0	111.9	E987 H993	E987-E989 PolarHBondContact O-N 3.22Å; E989-H993 VanDerWaalsContact O-CB 3.31Å; E989-H993 WeakPolarHBondContact O-CB 3.39Å; E989-H993 PolarHBondContact O-N 3.25Å
990	F	87.4	Confident	85.8	Confident	33 Å²	33	62.8 Å²	62.8	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-74.1	-37.1	178.2	-173.8	-103.8	0	0	0	112.4	V929 V933 W985 E987 H993 L994	V929-F990 HydrophobicContact CB-CZ 4.3Å; V929-F990 HydrophobicContact CG1-CE2 3.95Å; V929-F990 HydrophobicContact CG1-CZ 3.87Å; V929-F990 HydrophobicContact CG2-CD1 4.43Å; V929-F990 HydrophobicContact CG2-CE1 4.04Å; V929-F990 HydrophobicContact CG2-CE2 4.44Å; V929-F990 HydrophobicContact CG2-CZ 4.06Å; V933-F990 HydrophobicContact CG2-CE2 4.14Å; V933-F990 HydrophobicContact CG2-CZ 3.92Å; W985-F990 AromaticContact CD1-CD1 3.65Å; W985-F990 AromaticContact CD2-CD1 3.8Å; W985-F990 HydrophobicContact CD2-CD1 3.8Å; W985-F990 HydrophobicContact CD2-CE1 4.07Å; W985-F990 AromaticContact CE2-CD1 3.54Å; W985-F990 AromaticContact CE2-CE1 3.92Å; W985-F990 HydrophobicContact CE3-CE1 4.38Å; W985-F990 AromaticContact CG-CD1 3.92Å; W985-F990 HydrophobicContact CG-CD1 3.92Å; W985-F990 HydrophobicContact CH2-CE1 4.49Å; W985-F990 HydrophobicContact CZ2-CD1 4.15Å; W985-F990 HydrophobicContact CZ2-CE1 4.17Å; W985-F990 AromaticContact NE1-CD1 3.41Å; E987-F990 HydrophobicContact CB-CB 4.38Å; E987-F990 PolarHBondContact O-N 3.16Å; F990-H993 PolarHBondContact O-N 2.96Å; F990-L994 HydrophobicContact CD1-CD1 3.86Å; F990-L994 HydrophobicContact CD1-CG 4.19Å; F990-L994 HydrophobicContact CE1-CD1 3.43Å; F990-L994 VanDerWaalsContact CE1-CD1 3.43Å; F990-L994 HydrophobicContact CE1-CD2 4.37Å; F990-L994 HydrophobicContact CE1-CG 3.88Å; F990-L994 HydrophobicContact CZ-CD1 4.02Å; F990-L994 HydrophobicContact CZ-CD2 4.11Å; F990-L994 HydrophobicContact CZ-CG 4.06Å; F990-L994 WeakPolarHBondContact O-CG 3.45Å; F990-L994 PolarHBondContact O-N 2.96Å
991	A	85.9	Confident	85.9	Confident	30 Å²	30	62.3 Å²	62.3	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-48.8	173.9	0	0	0	0	0	111.3	W985 E987 L994 E995	W985-A991 HydrophobicContact CB-CB 4Å; E987-A991 WeakPolarHBondContact O-CB 3.28Å; E987-A991 PolarHBondContact O-N 3.46Å; A991-L994 PolarHBondContact O-N 2.94Å; A991-E995 WeakPolarHBondContact O-CB 3.27Å; A991-E995 PolarHBondContact O-N 3.15Å
992	H	84.6	Confident	86	Confident	94 Å²	94	55.8 Å²	55.8	44%	0.435	27%	0.267	S	S	.	.	H	α-helix	trans	-68.3	-37.8	178.3	-174.2	54.2	0	0	0	112.2	Q988 E995 Q996	Q988-H992 WeakPolarHBondContact O-CB 3.24Å; Q988-H992 PolarHBondContact O-N 3.29Å; H992-E995 IonicContact ND1-OE2 2.74Å; H992-E995 PolarHBondContact ND1-OE2 2.82Å; H992-E995 PolarHBondContact O-N 3.43Å; H992-Q996 VanDerWaalsContact O-CB 3.22Å; H992-Q996 WeakPolarHBondContact O-CB 3.27Å; H992-Q996 PolarHBondContact O-N 2.7Å
993	H	87.1	Confident	86	Confident	95 Å²	95	53.1 Å²	53.1	44%	0.44	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-42.8	173	170.8	-102.4	0	0	0	112.6	E989 F990 R997	E989-H993 VanDerWaalsContact O-CB 3.31Å; E989-H993 WeakPolarHBondContact O-CB 3.39Å; E989-H993 PolarHBondContact O-N 3.25Å; F990-H993 PolarHBondContact O-N 2.96Å; H993-R997 WeakPolarHBondContact O-CB 3.32Å; H993-R997 PolarHBondContact O-N 2.67Å
994	L	87	Confident	86	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-47.1	173.3	-74.5	179.3	0	0	0	111.5	V932 V980 F990 A991 Q996 R997 L998	V932-L994 HydrophobicContact CG1-CD1 3.72Å; V932-L994 HydrophobicContact CG1-CD2 4.23Å; V980-L994 HydrophobicContact CG1-CB 4.02Å; V980-L994 HydrophobicContact CG1-CD1 4.02Å; F990-L994 HydrophobicContact CD1-CD1 3.86Å; F990-L994 HydrophobicContact CD1-CG 4.19Å; F990-L994 HydrophobicContact CE1-CD1 3.43Å; F990-L994 VanDerWaalsContact CE1-CD1 3.43Å; F990-L994 HydrophobicContact CE1-CD2 4.37Å; F990-L994 HydrophobicContact CE1-CG 3.88Å; F990-L994 HydrophobicContact CZ-CD1 4.02Å; F990-L994 HydrophobicContact CZ-CD2 4.11Å; F990-L994 HydrophobicContact CZ-CG 4.06Å; F990-L994 WeakPolarHBondContact O-CG 3.45Å; F990-L994 PolarHBondContact O-N 2.96Å; A991-L994 PolarHBondContact O-N 2.94Å; L994-Q996 PolarHBondContact O-N 3.44Å; L994-R997 PolarHBondContact O-N 2.88Å; L994-L998 WeakPolarHBondContact O-CG 3.46Å; L994-L998 PolarHBondContact O-N 3.18Å
995	E	84.6	Confident	86.2	Confident	83 Å²	83	55.6 Å²	55.6	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-58	-48.4	177.9	-177.5	-171.8	-158.3	0	0	111.9	A991 H992 L998 K999	A991-E995 WeakPolarHBondContact O-CB 3.27Å; A991-E995 PolarHBondContact O-N 3.15Å; H992-E995 IonicContact ND1-OE2 2.74Å; H992-E995 PolarHBondContact ND1-OE2 2.82Å; H992-E995 PolarHBondContact O-N 3.43Å; E995-L998 PolarHBondContact O-N 3.48Å; E995-K999 HydrophobicContact CG-CD 4.11Å; E995-K999 VanDerWaalsContact CG-CE 3.44Å; E995-K999 VanDerWaalsContact O-CG 3.31Å; E995-K999 WeakPolarHBondContact O-CG 3.41Å; E995-K999 PolarHBondContact O-N 2.88Å; E995-K999 IonicContact OE1-NZ 2.69Å; E995-K999 PolarHBondContact OE1-NZ 3.28Å
996	Q	83.8	Confident	86.2	Confident	59 Å²	59	54.6 Å²	54.6	28%	0.276	27%	0.265	S	S	.	.	H	α-helix	trans	-60.3	-45.7	176.5	-169.9	-168.2	43.5	0	0	110.8	H992 L994 K999 L1000 E1061	H992-Q996 VanDerWaalsContact O-CB 3.22Å; H992-Q996 WeakPolarHBondContact O-CB 3.27Å; H992-Q996 PolarHBondContact O-N 2.7Å; L994-Q996 PolarHBondContact O-N 3.44Å; Q996-K999 PolarHBondContact O-N 3.35Å; Q996-L1000 HydrophobicContact CG-CD1 4.34Å; Q996-L1000 WeakPolarHBondContact O-CG 3.45Å; Q996-L1000 PolarHBondContact O-N 3.36Å; Q996-E1061 PolarHBondContact NE2-OE1 3.07Å
997	R	87.1	Confident	86.4	Confident	61 Å²	61	56.1 Å²	56.1	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-45.2	176.5	-177.3	177.2	176.9	-175	-0.5	112.2	D937 E940 H993 L994 K999 L1000 M1001	D937-R997 IonicContact OD1-CZ 2.67Å; D937-R997 IonicContact OD1-NH1 2.89Å; D937-R997 PolarHBondContact OD1-NH1 2.9Å; D937-R997 IonicContact OD1-NH2 3.86Å; D937-R997 PolarHBondContact OD1-NH2 3.28Å; E940-R997 IonicContact OE2-CZ 2.78Å; E940-R997 IonicContact OE2-NE 3.19Å; E940-R997 PolarHBondContact OE2-NE 3.23Å; E940-R997 IonicContact OE2-NH2 2.63Å; E940-R997 PolarHBondContact OE2-NH2 2.99Å; H993-R997 WeakPolarHBondContact O-CB 3.32Å; H993-R997 PolarHBondContact O-N 2.67Å; L994-R997 PolarHBondContact O-N 2.88Å; R997-K999 VanDerWaalsContact C-N 3.29Å; R997-K999 PolarHBondContact O-N 3.01Å; R997-L1000 PolarHBondContact O-N 3.01Å; R997-M1001 WeakPolarHBondContact O-CB 3.46Å; R997-M1001 PolarHBondContact O-N 3.42Å
998	L	87.3	Confident	86.6	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-35.1	178.7	-71.8	178.3	0	0	0	112.4	V936 L976 Q977 V980 L994 E995 M1001 A1002	V936-L998 HydrophobicContact CG1-CD2 4.16Å; V936-L998 HydrophobicContact CG2-CD2 4.4Å; L976-L998 HydrophobicContact CD2-CD2 3.8Å; L976-L998 HydrophobicContact CG-CD2 3.81Å; Q977-L998 HydrophobicContact CG-CB 4.29Å; Q977-L998 HydrophobicContact CG-CD1 4.3Å; V980-L998 HydrophobicContact CB-CD1 3.66Å; V980-L998 HydrophobicContact CG1-CD1 3.94Å; V980-L998 HydrophobicContact CG2-CD1 3.75Å; L994-L998 WeakPolarHBondContact O-CG 3.46Å; L994-L998 PolarHBondContact O-N 3.18Å; E995-L998 PolarHBondContact O-N 3.48Å; L998-M1001 HydrophobicContact CD2-CE 3.83Å; L998-A1002 VanDerWaalsContact O-CB 3.28Å; L998-A1002 WeakPolarHBondContact O-CB 3.44Å; L998-A1002 PolarHBondContact O-N 2.96Å
999	K	83.6	Confident	87	Confident	30 Å²	30	45 Å²	45	13%	0.13	22%	0.222	C	C	.	.	H	α-helix	trans	-74.3	-38.2	177.1	-69.1	169.9	-174.3	-178.8	0	112.1	E995 Q996 R997 A1002 S1003 A1055 L1056	E995-K999 HydrophobicContact CG-CD 4.11Å; E995-K999 VanDerWaalsContact CG-CE 3.44Å; E995-K999 VanDerWaalsContact O-CG 3.31Å; E995-K999 WeakPolarHBondContact O-CG 3.41Å; E995-K999 PolarHBondContact O-N 2.88Å; E995-K999 IonicContact OE1-NZ 2.69Å; E995-K999 PolarHBondContact OE1-NZ 3.28Å; Q996-K999 PolarHBondContact O-N 3.35Å; R997-K999 VanDerWaalsContact C-N 3.29Å; R997-K999 PolarHBondContact O-N 3.01Å; K999-A1002 PolarHBondContact O-N 2.88Å; K999-S1003 WeakPolarHBondContact O-CB 3.37Å; K999-S1003 PolarHBondContact O-N 2.82Å; K999-A1055 VanDerWaalsContact CE-O 3.22Å; K999-A1055 WeakPolarHBondContact CE-O 3.47Å; K999-A1055 PolarHBondContact NZ-O 2.93Å; K999-L1056 HydrophobicContact CD-CD2 3.64Å; K999-L1056 HydrophobicContact CD-CG 3.92Å
1000	L	84.7	Confident	87.3	Confident	64 Å²	64	36.6 Å²	36.6	34%	0.335	18%	0.183	S	C	.	.	H	α-helix	trans	-63.7	-45.5	171.2	-72.2	170.7	0	0	0	111.7	Q996 R997 S1003 D1004 Y1064	Q996-L1000 HydrophobicContact CG-CD1 4.34Å; Q996-L1000 WeakPolarHBondContact O-CG 3.45Å; Q996-L1000 PolarHBondContact O-N 3.36Å; R997-L1000 PolarHBondContact O-N 3.01Å; L1000-S1003 VanDerWaalsContact O-CB 3.24Å; L1000-S1003 WeakPolarHBondContact O-CB 3.46Å; L1000-S1003 PolarHBondContact O-N 2.82Å; L1000-D1004 PolarHBondContact O-N 3.45Å; L1000-Y1064 HydrophobicContact CD2-CD1 4.19Å; L1000-Y1064 HydrophobicContact CD2-CD2 4.24Å; L1000-Y1064 HydrophobicContact CD2-CE1 4.2Å; L1000-Y1064 HydrophobicContact CD2-CE2 4.23Å; L1000-Y1064 HydrophobicContact CD2-CG 4.21Å
1001	M	88.2	Confident	87.4	Confident	7 Å²	7	39.9 Å²	39.9	3%	0.034	20%	0.197	C	C	.	.	H	α-helix	trans	-61.2	-47.3	174.3	178.7	-166.2	71.3	0	0	111.3	E940 L973 L976 R997 L998 S1003 D1004 M1005	E940-M1001 HydrophobicContact CB-CG 4.34Å; E940-M1001 HydrophobicContact CB-SD 3.56Å; E940-M1001 VanDerWaalsContact CB-SD 3.56Å; E940-M1001 HydrophobicContact CG-CG 3.92Å; E940-M1001 HydrophobicContact CG-SD 3.83Å; L973-M1001 HydrophobicContact CD2-CE 3.72Å; L976-M1001 HydrophobicContact CD2-CE 3.55Å; L976-M1001 HydrophobicContact CD2-SD 4.35Å; R997-M1001 WeakPolarHBondContact O-CB 3.46Å; R997-M1001 PolarHBondContact O-N 3.42Å; L998-M1001 HydrophobicContact CD2-CE 3.83Å; M1001-S1003 VanDerWaalsContact C-N 3.28Å; M1001-S1003 PolarHBondContact O-N 2.98Å; M1001-D1004 PolarHBondContact O-N 3.48Å; M1001-M1005 HydrophobicContact CG-CE 4.23Å; M1001-M1005 HydrophobicContact CG-CG 4.32Å; M1001-M1005 WeakPolarHBondContact O-CB 3.33Å; M1001-M1005 WeakPolarHBondContact O-CG 3.31Å; M1001-M1005 PolarHBondContact O-N 3Å
1002	A	88.2	Confident	87.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-57.6	-42.7	175.7	0	0	0	0	0	111.5	L973 L998 K999 M1005 L1006 L1053	L973-A1002 HydrophobicContact CD1-CB 4.26Å; L973-A1002 HydrophobicContact CD2-CB 4.16Å; L998-A1002 VanDerWaalsContact O-CB 3.28Å; L998-A1002 WeakPolarHBondContact O-CB 3.44Å; L998-A1002 PolarHBondContact O-N 2.96Å; K999-A1002 PolarHBondContact O-N 2.88Å; A1002-M1005 PolarHBondContact O-N 3.21Å; A1002-L1006 WeakPolarHBondContact O-CB 3.36Å; A1002-L1006 VanDerWaalsContact O-CD1 3.23Å; A1002-L1006 WeakPolarHBondContact O-CD1 3.35Å; A1002-L1006 PolarHBondContact O-N 3.41Å; A1002-L1053 HydrophobicContact CB-CB 4.35Å
1003	S	86.9	Confident	87.9	Confident	9 Å²	9	38.1 Å²	38.1	6%	0.063	18%	0.18	C	C	.	.	H	α-helix	trans	-53.4	-59.2	172.1	151.9	0	0	0	0	111.9	K999 L1000 M1001 M1005 L1006 E1007 I1068	K999-S1003 WeakPolarHBondContact O-CB 3.37Å; K999-S1003 PolarHBondContact O-N 2.82Å; L1000-S1003 VanDerWaalsContact O-CB 3.24Å; L1000-S1003 WeakPolarHBondContact O-CB 3.46Å; L1000-S1003 PolarHBondContact O-N 2.82Å; M1001-S1003 VanDerWaalsContact C-N 3.28Å; M1001-S1003 PolarHBondContact O-N 2.98Å; S1003-M1005 VanDerWaalsContact C-N 3.27Å; S1003-M1005 PolarHBondContact O-N 3.44Å; S1003-L1006 PolarHBondContact O-N 3.04Å; S1003-L1006 VanDerWaalsContact O-N 3.09Å; S1003-E1007 PolarHBondContact O-N 3.12Å; S1003-I1068 VanDerWaalsContact C-CD1 3.47Å; S1003-I1068 WeakPolarHBondContact O-CD1 3.43Å; S1003-I1068 WeakPolarHBondContact OG-CD1 3.32Å
1004	D	87.4	Confident	88	Confident	95 Å²	95	36.4 Å²	36.4	51%	0.508	17%	0.17	S	C	.	.	H	α-helix	trans	-62.2	-35.9	-175.6	-73.3	9.6	0	0	0	112	L1000 M1001 A1008	L1000-D1004 PolarHBondContact O-N 3.45Å; M1001-D1004 PolarHBondContact O-N 3.48Å; D1004-A1008 WeakPolarHBondContact O-CB 3.4Å; D1004-A1008 PolarHBondContact O-N 2.95Å
1005	M	89.8	Confident	88.2	Confident	19 Å²	19	39.7 Å²	39.7	9%	0.094	19%	0.19	C	C	.	.	H	α-helix	trans	-71.3	-36	175.8	-63.6	-51.8	157.7	0	0	112.9	E940 I943 A944 I947 L969 L973 M1001 A1002 S1003 A1008 C1009	E940-M1005 HydrophobicContact CG-CE 4.2Å; I943-M1005 HydrophobicContact CG2-CB 4.48Å; I943-M1005 HydrophobicContact CG2-CG 3.92Å; I943-M1005 HydrophobicContact CG2-SD 4.2Å; A944-M1005 HydrophobicContact CB-CE 3.82Å; A944-M1005 HydrophobicContact CB-SD 4.13Å; I947-M1005 HydrophobicContact CD1-CB 3.76Å; I947-M1005 HydrophobicContact CD1-CG 4.03Å; I947-M1005 HydrophobicContact CD1-SD 3.51Å; I947-M1005 VanDerWaalsContact CD1-SD 3.51Å; L969-M1005 HydrophobicContact CD1-CB 4.12Å; L973-M1005 HydrophobicContact CD1-CB 4.32Å; M1001-M1005 HydrophobicContact CG-CE 4.23Å; M1001-M1005 HydrophobicContact CG-CG 4.32Å; M1001-M1005 WeakPolarHBondContact O-CB 3.33Å; M1001-M1005 WeakPolarHBondContact O-CG 3.31Å; M1001-M1005 PolarHBondContact O-N 3Å; A1002-M1005 PolarHBondContact O-N 3.21Å; S1003-M1005 VanDerWaalsContact C-N 3.27Å; S1003-M1005 PolarHBondContact O-N 3.44Å; M1005-A1008 PolarHBondContact O-N 3.36Å; M1005-C1009 WeakPolarHBondContact O-CB 3.48Å; M1005-C1009 PolarHBondContact O-N 3.49Å
1006	L	89.1	Confident	88.4	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.2	-44.8	171.8	-98.5	71.6	0	0	0	111.4	F970 L973 A1002 S1003 A1008 C1009 V1010 L1053	F970-L1006 HydrophobicContact CD1-CD1 4.25Å; F970-L1006 HydrophobicContact CE1-CD1 3.99Å; F970-L1006 HydrophobicContact CE1-CG 4.13Å; L973-L1006 HydrophobicContact CD1-CD1 3.67Å; A1002-L1006 WeakPolarHBondContact O-CB 3.36Å; A1002-L1006 VanDerWaalsContact O-CD1 3.23Å; A1002-L1006 WeakPolarHBondContact O-CD1 3.35Å; A1002-L1006 PolarHBondContact O-N 3.41Å; S1003-L1006 PolarHBondContact O-N 3.04Å; S1003-L1006 VanDerWaalsContact O-N 3.09Å; L1006-A1008 VanDerWaalsContact C-N 3.29Å; L1006-A1008 PolarHBondContact O-N 3Å; L1006-C1009 WeakPolarHBondContact O-CB 3.27Å; L1006-C1009 PolarHBondContact O-N 3.36Å; L1006-C1009 VanDerWaalsContact O-N 3.16Å; L1006-V1010 VanDerWaalsContact O-CG2 3.3Å; L1006-V1010 WeakPolarHBondContact O-CG2 3.22Å; L1006-V1010 PolarHBondContact O-N 3.08Å; L1006-L1053 HydrophobicContact CD1-CD1 4.39Å
1007	E	88.9	Confident	88.7	Confident	59 Å²	59	34.2 Å²	34.2	28%	0.276	17%	0.168	S	C	.	.	H	α-helix	trans	-61.1	-40.9	175.5	-172	-177.5	-157.1	0	0	111.1	S1003 C1009 V1010 K1011 I1068 L1071	S1003-E1007 PolarHBondContact O-N 3.12Å; E1007-C1009 VanDerWaalsContact C-N 3.33Å; E1007-C1009 PolarHBondContact O-N 2.97Å; E1007-V1010 PolarHBondContact O-N 2.95Å; E1007-K1011 VanDerWaalsContact CD-CE 3.47Å; E1007-K1011 HydrophobicContact CG-CD 4.02Å; E1007-K1011 VanDerWaalsContact CG-CE 3.47Å; E1007-K1011 HydrophobicContact CG-CG 4.44Å; E1007-K1011 WeakPolarHBondContact O-CB 3.43Å; E1007-K1011 WeakPolarHBondContact O-CG 3.25Å; E1007-K1011 PolarHBondContact O-N 3.12Å; E1007-K1011 WeakPolarHBondContact OE1-CE 3.47Å; E1007-K1011 IonicContact OE1-NZ 2.81Å; E1007-K1011 PolarHBondContact OE1-NZ 3.19Å; E1007-K1011 IonicContact OE2-NZ 2.78Å; E1007-K1011 PolarHBondContact OE2-NZ 3.26Å; E1007-I1068 HydrophobicContact CB-CD1 4.33Å; E1007-L1071 HydrophobicContact CG-CD1 3.83Å; E1007-L1071 HydrophobicContact CG-CD2 4.06Å; E1007-L1071 VanDerWaalsContact OE1-CD1 3.24Å; E1007-L1071 WeakPolarHBondContact OE1-CD1 3.44Å
1008	A	89.4	Confident	88.7	Confident	23 Å²	23	33.6 Å²	33.6	19%	0.19	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-33.9	174.8	0	0	0	0	0	113.6	I947 D1004 M1005 L1006 R1012	I947-A1008 HydrophobicContact CG2-CB 4.42Å; D1004-A1008 WeakPolarHBondContact O-CB 3.4Å; D1004-A1008 PolarHBondContact O-N 2.95Å; M1005-A1008 PolarHBondContact O-N 3.36Å; L1006-A1008 VanDerWaalsContact C-N 3.29Å; L1006-A1008 PolarHBondContact O-N 3Å; A1008-R1012 WeakPolarHBondContact O-CD 3.5Å; A1008-R1012 VanDerWaalsContact O-CG 3.32Å; A1008-R1012 WeakPolarHBondContact O-CG 3.4Å; A1008-R1012 PolarHBondContact O-NH1 3.06Å
1009	C	90.6	Very high	88.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-71.9	-49.9	174	176.1	0	0	0	0	111.7	F951 L969 M1005 L1006 E1007 R1012 T1013	F951-C1009 HydrophobicContact CE2-CB 4.21Å; F951-C1009 HydrophobicContact CZ-CB 4.42Å; F951-C1009 VanDerWaalsContact CZ-SG 3.55Å; L969-C1009 HydrophobicContact CD2-CB 3.73Å; M1005-C1009 WeakPolarHBondContact O-CB 3.48Å; M1005-C1009 PolarHBondContact O-N 3.49Å; L1006-C1009 WeakPolarHBondContact O-CB 3.27Å; L1006-C1009 PolarHBondContact O-N 3.36Å; L1006-C1009 VanDerWaalsContact O-N 3.16Å; E1007-C1009 VanDerWaalsContact C-N 3.33Å; E1007-C1009 PolarHBondContact O-N 2.97Å; C1009-R1012 PolarHBondContact O-N 3.47Å; C1009-T1013 WeakPolarHBondContact O-CB 3.32Å; C1009-T1013 PolarHBondContact O-N 2.93Å; C1009-T1013 PolarHBondContact O-OG1 3.12Å
1010	V	91.3	Very high	88.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-48.3	-177.8	169.3	0	0	0	0	111.4	L1006 E1007 R1012 T1013 R1014 L1043 A1046 L1071 I1072	L1006-V1010 VanDerWaalsContact O-CG2 3.3Å; L1006-V1010 WeakPolarHBondContact O-CG2 3.22Å; L1006-V1010 PolarHBondContact O-N 3.08Å; E1007-V1010 PolarHBondContact O-N 2.95Å; V1010-R1012 PolarHBondContact O-N 3.18Å; V1010-T1013 PolarHBondContact O-N 2.95Å; V1010-R1014 WeakPolarHBondContact O-CB 3.15Å; V1010-R1014 PolarHBondContact O-N 2.92Å; V1010-L1043 HydrophobicContact CB-CD2 3.98Å; V1010-L1043 HydrophobicContact CG1-CD2 3.77Å; V1010-L1043 HydrophobicContact CG2-CD2 3.89Å; V1010-A1046 HydrophobicContact CG2-CB 4.14Å; V1010-L1071 HydrophobicContact CB-CD2 3.93Å; V1010-L1071 HydrophobicContact CG1-CD2 3.52Å; V1010-L1071 HydrophobicContact CG2-CD2 4.5Å; V1010-I1072 HydrophobicContact CG2-CD1 4.42Å; V1010-I1072 HydrophobicContact CG2-CG1 3.75Å
1011	K	90.4	Very high	89	Confident	102 Å²	102	37.9 Å²	37.9	44%	0.443	19%	0.188	S	C	.	.	H	α-helix	trans	-58.6	-46.3	178.1	-73.7	173.8	-179	165.1	0	112	E1007 R1014 T1015	E1007-K1011 VanDerWaalsContact CD-CE 3.47Å; E1007-K1011 HydrophobicContact CG-CD 4.02Å; E1007-K1011 VanDerWaalsContact CG-CE 3.47Å; E1007-K1011 HydrophobicContact CG-CG 4.44Å; E1007-K1011 WeakPolarHBondContact O-CB 3.43Å; E1007-K1011 WeakPolarHBondContact O-CG 3.25Å; E1007-K1011 PolarHBondContact O-N 3.12Å; E1007-K1011 WeakPolarHBondContact OE1-CE 3.47Å; E1007-K1011 IonicContact OE1-NZ 2.81Å; E1007-K1011 PolarHBondContact OE1-NZ 3.19Å; E1007-K1011 IonicContact OE2-NZ 2.78Å; E1007-K1011 PolarHBondContact OE2-NZ 3.26Å; K1011-R1014 PolarHBondContact O-N 2.68Å; K1011-T1015 PolarHBondContact O-N 3.38Å; K1011-T1015 PolarHBondContact O-OG1 3.1Å
1012	R	89.8	Confident	88.7	Confident	87 Å²	87	44.1 Å²	44.1	33%	0.328	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-45.1	179.2	-75.4	177.9	177.7	79.6	-6	112.1	F951 A1008 C1009 V1010 R1014 T1015 A1016	F951-R1012 HydrophobicContact CB-CB 4.33Å; F951-R1012 HydrophobicContact CD2-CB 4.35Å; F951-R1012 HydrophobicContact CG-CB 4.19Å; A1008-R1012 WeakPolarHBondContact O-CD 3.5Å; A1008-R1012 VanDerWaalsContact O-CG 3.32Å; A1008-R1012 WeakPolarHBondContact O-CG 3.4Å; A1008-R1012 PolarHBondContact O-NH1 3.06Å; C1009-R1012 PolarHBondContact O-N 3.47Å; V1010-R1012 PolarHBondContact O-N 3.18Å; R1012-R1014 VanDerWaalsContact C-N 3.33Å; R1012-R1014 PolarHBondContact O-N 3.22Å; R1012-T1015 PolarHBondContact O-N 2.77Å; R1012-A1016 WeakPolarHBondContact O-CB 3.34Å; R1012-A1016 PolarHBondContact O-N 2.83Å
1013	T	90.8	Very high	88.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.7	-43.9	177.2	-60.3	0	0	0	0	111.5	W956 C1009 V1010 A1016 F1017 M1039 V1042 L1043	W956-T1013 HydrophobicContact CH2-CG2 4.05Å; W956-T1013 HydrophobicContact CZ3-CG2 3.94Å; C1009-T1013 WeakPolarHBondContact O-CB 3.32Å; C1009-T1013 PolarHBondContact O-N 2.93Å; C1009-T1013 PolarHBondContact O-OG1 3.12Å; V1010-T1013 PolarHBondContact O-N 2.95Å; T1013-A1016 PolarHBondContact O-N 2.99Å; T1013-F1017 WeakPolarHBondContact O-CB 3.42Å; T1013-F1017 PolarHBondContact O-N 3.25Å; T1013-M1039 HydrophobicContact CG2-CB 4.1Å; T1013-M1039 HydrophobicContact CG2-CG 4.47Å; T1013-M1039 VanDerWaalsContact CG2-O 3.24Å; T1013-M1039 WeakPolarHBondContact CG2-O 3.42Å; T1013-V1042 HydrophobicContact CG2-CB 4.11Å; T1013-V1042 HydrophobicContact CG2-CG1 3.95Å; T1013-L1043 HydrophobicContact CG2-CD1 4.41Å; T1013-L1043 HydrophobicContact CG2-CD2 3.94Å; T1013-L1043 HydrophobicContact CG2-CG 3.89Å
1014	R	90.2	Very high	88	Confident	59 Å²	59	53.2 Å²	53.2	22%	0.223	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-49.7	174.3	-179	-165.5	150.7	135.2	13.4	112.4	V1010 K1011 R1012 A1016 F1017 E1018 E1078 I1079	V1010-R1014 WeakPolarHBondContact O-CB 3.15Å; V1010-R1014 PolarHBondContact O-N 2.92Å; K1011-R1014 PolarHBondContact O-N 2.68Å; R1012-R1014 VanDerWaalsContact C-N 3.33Å; R1012-R1014 PolarHBondContact O-N 3.22Å; R1014-A1016 VanDerWaalsContact C-N 3.3Å; R1014-A1016 PolarHBondContact O-N 3.29Å; R1014-F1017 WeakPolarHBondContact O-CB 3.45Å; R1014-F1017 PolarHBondContact O-N 3.41Å; R1014-E1018 IonicContact CZ-OE1 3.52Å; R1014-E1018 VanDerWaalsContact CZ-OE1 3.26Å; R1014-E1018 IonicContact NE-OE1 2.66Å; R1014-E1018 PolarHBondContact NE-OE1 3.1Å; R1014-E1018 IonicContact NH2-OE1 3.7Å; R1014-E1018 PolarHBondContact NH2-OE1 3.18Å; R1014-E1018 WeakPolarHBondContact O-CG 3.17Å; R1014-E1018 PolarHBondContact O-N 3.47Å; R1014-E1078 IonicContact CZ-OE1 3.26Å; R1014-E1078 IonicContact CZ-OE2 2.84Å; R1014-E1078 VanDerWaalsContact CZ-OE2 3.3Å; R1014-E1078 IonicContact NH1-OE1 2.73Å; R1014-E1078 IonicContact NH1-OE2 3.24Å; R1014-E1078 PolarHBondContact NH1-OE2 2.93Å; R1014-E1078 IonicContact NH2-OE1 3.37Å; R1014-E1078 PolarHBondContact NH2-OE1 2.81Å; R1014-E1078 IonicContact NH2-OE2 3.17Å; R1014-E1078 PolarHBondContact NH2-OE2 3.13Å; R1014-I1079 HydrophobicContact CB-CD1 4.39Å; R1014-I1079 HydrophobicContact CG-CD1 4.28Å
1015	T	89.4	Confident	87.5	Confident	72 Å²	72	51.1 Å²	51.1	44%	0.442	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-38.5	177.7	-57.6	0	0	0	0	111.9	K1011 R1012 E1018 L1019	K1011-T1015 PolarHBondContact O-N 3.38Å; K1011-T1015 PolarHBondContact O-OG1 3.1Å; R1012-T1015 PolarHBondContact O-N 2.77Å; T1015-E1018 PolarHBondContact O-N 3.34Å; T1015-L1019 HydrophobicContact CG2-CD1 4.03Å; T1015-L1019 WeakPolarHBondContact O-CB 3.25Å; T1015-L1019 VanDerWaalsContact O-CG 3.28Å; T1015-L1019 WeakPolarHBondContact O-CG 3.43Å; T1015-L1019 PolarHBondContact O-N 2.82Å
1016	A	88.9	Confident	87	Confident	25 Å²	25	56.9 Å²	56.9	21%	0.207	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-41	175	0	0	0	0	0	112.2	W956 R1012 T1013 R1014 L1019 K1020 M1039	W956-A1016 HydrophobicContact CH2-CB 4.19Å; W956-A1016 HydrophobicContact CZ2-CB 3.53Å; R1012-A1016 WeakPolarHBondContact O-CB 3.34Å; R1012-A1016 PolarHBondContact O-N 2.83Å; T1013-A1016 PolarHBondContact O-N 2.99Å; R1014-A1016 VanDerWaalsContact C-N 3.3Å; R1014-A1016 PolarHBondContact O-N 3.29Å; A1016-L1019 PolarHBondContact O-N 2.84Å; A1016-K1020 WeakPolarHBondContact O-CB 3.35Å; A1016-K1020 PolarHBondContact O-N 3.29Å; A1016-M1039 HydrophobicContact CB-CE 3.81Å
1017	F	90.3	Very high	86.6	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-51.3	173.5	-178.6	-77.6	0	0	0	111.7	T1013 R1014 L1019 K1020 L1021 V1036 M1039 I1079 L1082 L1083	T1013-F1017 WeakPolarHBondContact O-CB 3.42Å; T1013-F1017 PolarHBondContact O-N 3.25Å; R1014-F1017 WeakPolarHBondContact O-CB 3.45Å; R1014-F1017 PolarHBondContact O-N 3.41Å; F1017-L1019 PolarHBondContact O-N 3.05Å; F1017-K1020 PolarHBondContact O-N 3.34Å; F1017-K1020 VanDerWaalsContact O-N 3.17Å; F1017-L1021 HydrophobicContact CD1-CB 4.48Å; F1017-L1021 HydrophobicContact CD1-CD2 4.45Å; F1017-L1021 HydrophobicContact CE1-CB 4.27Å; F1017-L1021 HydrophobicContact CE1-CD2 3.56Å; F1017-L1021 HydrophobicContact CZ-CD2 4.07Å; F1017-L1021 WeakPolarHBondContact O-CB 3.24Å; F1017-L1021 PolarHBondContact O-N 3.44Å; F1017-V1036 HydrophobicContact CD2-CG1 3.82Å; F1017-V1036 HydrophobicContact CE2-CG1 3.28Å; F1017-V1036 HydrophobicContact CZ-CG1 3.89Å; F1017-M1039 VanDerWaalsContact CA-SD 3.55Å; F1017-M1039 HydrophobicContact CB-CB 4.35Å; F1017-M1039 HydrophobicContact CB-SD 4.02Å; F1017-M1039 HydrophobicContact CD2-CB 4.02Å; F1017-M1039 HydrophobicContact CD2-SD 4.43Å; F1017-I1079 HydrophobicContact CB-CD1 4.27Å; F1017-I1079 HydrophobicContact CD1-CD1 4.27Å; F1017-I1079 HydrophobicContact CD1-CG1 3.71Å; F1017-I1079 HydrophobicContact CD1-CG2 4.44Å; F1017-I1079 HydrophobicContact CD2-CD1 4.37Å; F1017-I1079 HydrophobicContact CD2-CG1 4.41Å; F1017-I1079 HydrophobicContact CD2-CG2 4.15Å; F1017-I1079 HydrophobicContact CE1-CB 4.23Å; F1017-I1079 HydrophobicContact CE1-CG1 3.9Å; F1017-I1079 HydrophobicContact CE1-CG2 3.97Å; F1017-I1079 HydrophobicContact CE2-CG2 3.63Å; F1017-I1079 HydrophobicContact CG-CD1 4.07Å; F1017-I1079 HydrophobicContact CG-CG1 4Å; F1017-I1079 HydrophobicContact CZ-CB 4.32Å; F1017-I1079 HydrophobicContact CZ-CG1 4.35Å; F1017-I1079 HydrophobicContact CZ-CG2 3.56Å; F1017-L1082 HydrophobicContact CE1-CB 4.42Å; F1017-L1083 HydrophobicContact CZ-CB 4.44Å; F1017-L1083 HydrophobicContact CZ-CD1 4.39Å
1018	E	88.3	Confident	86.1	Confident	49 Å²	49	57.1 Å²	57.1	23%	0.229	28%	0.283	C	S	.	.	H	α-helix	trans	-55.7	-48.9	178.1	-72.9	174.1	-161.7	0	0	111.2	R1014 T1015 K1020 L1021 Q1022 L1082	R1014-E1018 IonicContact CZ-OE1 3.52Å; R1014-E1018 VanDerWaalsContact CZ-OE1 3.26Å; R1014-E1018 IonicContact NE-OE1 2.66Å; R1014-E1018 PolarHBondContact NE-OE1 3.1Å; R1014-E1018 IonicContact NH2-OE1 3.7Å; R1014-E1018 PolarHBondContact NH2-OE1 3.18Å; R1014-E1018 WeakPolarHBondContact O-CG 3.17Å; R1014-E1018 PolarHBondContact O-N 3.47Å; T1015-E1018 PolarHBondContact O-N 3.34Å; E1018-K1020 VanDerWaalsContact C-N 3.34Å; E1018-K1020 PolarHBondContact O-N 3.21Å; E1018-L1021 PolarHBondContact O-N 2.9Å; E1018-Q1022 WeakPolarHBondContact O-CB 3.41Å; E1018-Q1022 VanDerWaalsContact O-CG 3.24Å; E1018-Q1022 WeakPolarHBondContact O-CG 3.5Å; E1018-Q1022 PolarHBondContact O-N 2.91Å; E1018-L1082 HydrophobicContact CG-CD1 3.91Å
1019	L	87.7	Confident	85.8	Confident	86 Å²	86	61.3 Å²	61.3	45%	0.45	30%	0.302	S	S	.	.	H	α-helix	trans	-64.7	-32.8	178.6	-71.9	170.2	0	0	0	113.5	T1015 A1016 F1017 K1023	T1015-L1019 HydrophobicContact CG2-CD1 4.03Å; T1015-L1019 WeakPolarHBondContact O-CB 3.25Å; T1015-L1019 VanDerWaalsContact O-CG 3.28Å; T1015-L1019 WeakPolarHBondContact O-CG 3.43Å; T1015-L1019 PolarHBondContact O-N 2.82Å; A1016-L1019 PolarHBondContact O-N 2.84Å; F1017-L1019 PolarHBondContact O-N 3.05Å; L1019-K1023 WeakPolarHBondContact O-CD 3.25Å; L1019-K1023 WeakPolarHBondContact O-CG 3.46Å
1020	K	86.4	Confident	85.6	Confident	85 Å²	85	61.7 Å²	61.7	37%	0.37	30%	0.304	S	S	.	.	H	α-helix	trans	-74.6	-44.7	176.5	-158.8	85.9	175.4	-145.7	0	110.9	A1016 F1017 E1018 K1023 A1024 S1035 V1036 M1039	A1016-K1020 WeakPolarHBondContact O-CB 3.35Å; A1016-K1020 PolarHBondContact O-N 3.29Å; F1017-K1020 PolarHBondContact O-N 3.34Å; F1017-K1020 VanDerWaalsContact O-N 3.17Å; E1018-K1020 VanDerWaalsContact C-N 3.34Å; E1018-K1020 PolarHBondContact O-N 3.21Å; K1020-K1023 PolarHBondContact O-N 2.99Å; K1020-A1024 PolarHBondContact O-N 2.81Å; K1020-S1035 VanDerWaalsContact CE-OG 3.24Å; K1020-S1035 WeakPolarHBondContact CE-OG 3.4Å; K1020-S1035 PolarHBondContact NZ-OG 2.76Å; K1020-V1036 HydrophobicContact CB-CG2 4.3Å; K1020-V1036 HydrophobicContact CG-CG2 3.82Å; K1020-M1039 HydrophobicContact CB-CE 4.32Å; K1020-M1039 HydrophobicContact CB-SD 4.37Å
1021	L	86.1	Confident	85.4	Confident	17 Å²	17	65.4 Å²	65.4	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-71.6	-34.4	-177.7	-173.4	62.6	0	0	0	112.5	F1017 E1018 K1023 A1024 L1082 L1083 K1086	F1017-L1021 HydrophobicContact CD1-CB 4.48Å; F1017-L1021 HydrophobicContact CD1-CD2 4.45Å; F1017-L1021 HydrophobicContact CE1-CB 4.27Å; F1017-L1021 HydrophobicContact CE1-CD2 3.56Å; F1017-L1021 HydrophobicContact CZ-CD2 4.07Å; F1017-L1021 WeakPolarHBondContact O-CB 3.24Å; F1017-L1021 PolarHBondContact O-N 3.44Å; E1018-L1021 PolarHBondContact O-N 2.9Å; L1021-K1023 VanDerWaalsContact C-N 3.29Å; L1021-K1023 PolarHBondContact O-N 3.02Å; L1021-A1024 WeakPolarHBondContact O-CB 3.42Å; L1021-A1024 PolarHBondContact O-N 3.46Å; L1021-L1082 HydrophobicContact CD2-CB 3.95Å; L1021-L1083 HydrophobicContact CD1-CD1 3.86Å; L1021-L1083 HydrophobicContact CD2-CD1 4.25Å; L1021-K1086 HydrophobicContact CD1-CB 4.03Å; L1021-K1086 HydrophobicContact CD1-CD 4.19Å; L1021-K1086 HydrophobicContact CD1-CG 3.82Å; L1021-K1086 HydrophobicContact CD2-CB 4.4Å; L1021-K1086 HydrophobicContact CG-CB 4.37Å; L1021-K1086 HydrophobicContact CG-CD 4.32Å; L1021-K1086 HydrophobicContact CG-CG 4.37Å; L1021-K1086 PolarHBondContact O-NZ 2.99Å
1022	Q	82.4	Confident	85.3	Confident	138 Å²	138	61.1 Å²	61.1	65%	0.645	30%	0.3	S	S	*	.	H	α-helix	trans	-55.3	-44.8	171.5	-78.9	176.2	21.8	0	0	111.6	E1018 A1024 K1086	E1018-Q1022 WeakPolarHBondContact O-CB 3.41Å; E1018-Q1022 VanDerWaalsContact O-CG 3.24Å; E1018-Q1022 WeakPolarHBondContact O-CG 3.5Å; E1018-Q1022 PolarHBondContact O-N 2.91Å; Q1022-A1024 VanDerWaalsContact C-N 3.31Å; Q1022-A1024 PolarHBondContact O-N 3.47Å; Q1022-K1086 PolarHBondContact O-NZ 3.11Å
1023	K	81.4	Confident	85.2	Confident	177 Å²	177	59.6 Å²	59.6	77%	0.77	30%	0.301	S	S	*	.	H	α-helix	trans	-72.7	-14.3	-177.9	-66.8	172.6	-174.6	175.4	0	114.8	L1019 K1020 L1021	L1019-K1023 WeakPolarHBondContact O-CD 3.25Å; L1019-K1023 WeakPolarHBondContact O-CG 3.46Å; K1020-K1023 PolarHBondContact O-N 2.99Å; L1021-K1023 VanDerWaalsContact C-N 3.29Å; L1021-K1023 PolarHBondContact O-N 3.02Å
1024	A	80.5	Confident	84.9	Confident	23 Å²	23	61.8 Å²	61.8	19%	0.19	32%	0.319	C	S	.	.	S	Bend	trans	-68.2	156.9	177.7	0	0	0	0	0	112.4	K1020 L1021 Q1022 L1030 K1086	K1020-A1024 PolarHBondContact O-N 2.81Å; L1021-A1024 WeakPolarHBondContact O-CB 3.42Å; L1021-A1024 PolarHBondContact O-N 3.46Å; Q1022-A1024 VanDerWaalsContact C-N 3.31Å; Q1022-A1024 PolarHBondContact O-N 3.47Å; A1024-L1030 HydrophobicContact CB-CD1 3.77Å; A1024-K1086 WeakPolarHBondContact O-CE 3.3Å; A1024-K1086 PolarHBondContact O-NZ 3.42Å
1025	S	75.4	Confident	84.7	Confident	51 Å²	51	59.5 Å²	59.5	36%	0.357	31%	0.313	S	S	.	.			trans	-68.6	168.9	-179.4	71.8	0	0	0	0	113.1	L1030 K1086	S1025-L1030 WeakPolarHBondContact OG-CA 3.08Å; S1025-L1030 WeakPolarHBondContact OG-CB 3.37Å; S1025-K1086 WeakPolarHBondContact O-CE 3.48Å
1026	K	78.7	Confident	84.7	Confident	141 Å²	141	56.3 Å²	56.3	61%	0.613	29%	0.293	S	S	*	.	S	Bend	trans	-117.7	33.8	170.6	-63.6	-168.8	176.9	-169.1	0	111.6
1027	T	80.9	Confident	84.7	Confident	54 Å²	54	55.2 Å²	55.2	33%	0.331	28%	0.284	S	S	.	.	S	Bend	trans	-117.6	167	179.8	62.3	0	0	0	0	110.6	D1029 L1030	T1027-D1029 WeakPolarHBondContact CB-OD2 3.43Å; T1027-D1029 PolarHBondContact O-N 3.4Å; T1027-D1029 PolarHBondContact OG1-OD2 3.27Å; T1027-L1030 WeakPolarHBondContact O-CB 3.48Å; T1027-L1030 PolarHBondContact O-N 2.78Å
1028	T	79.9	Confident	84.7	Confident	9 Å²	9	55.4 Å²	55.4	6%	0.055	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-10	173.5	41.9	0	0	0	0	113.6	L1030 R1031 V1090 V1094 T1134 F1138	T1028-L1030 VanDerWaalsContact C-N 3.29Å; T1028-R1031 PolarHBondContact O-NH1 3.48Å; T1028-V1090 HydrophobicContact CG2-CG1 3.97Å; T1028-V1094 HydrophobicContact CG2-CG2 3.94Å; T1028-T1134 HydrophobicContact CG2-CG2 4.25Å; T1028-T1134 WeakPolarHBondContact OG1-CG2 3.26Å; T1028-F1138 HydrophobicContact CG2-CB 4.41Å; T1028-F1138 WeakPolarHBondContact O-CB 3.29Å
1029	D	81.9	Confident	84.8	Confident	112 Å²	112	53.1 Å²	53.1	60%	0.599	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-5.7	175.3	-29.2	-70.5	0	0	0	111.8	T1027 R1031	T1027-D1029 WeakPolarHBondContact CB-OD2 3.43Å; T1027-D1029 PolarHBondContact O-N 3.4Å; T1027-D1029 PolarHBondContact OG1-OD2 3.27Å; D1029-R1031 PolarHBondContact O-N 3.12Å
1030	L	85.9	Confident	84.9	Confident	8 Å²	8	49.3 Å²	49.3	4%	0.042	25%	0.254	C	S	.	.			trans	-57.3	119.4	174.2	174.2	61.7	0	0	0	110.6	A1024 S1025 T1027 T1028 K1086 F1087 V1090 F1138 N1142	A1024-L1030 HydrophobicContact CB-CD1 3.77Å; S1025-L1030 WeakPolarHBondContact OG-CA 3.08Å; S1025-L1030 WeakPolarHBondContact OG-CB 3.37Å; T1027-L1030 WeakPolarHBondContact O-CB 3.48Å; T1027-L1030 PolarHBondContact O-N 2.78Å; T1028-L1030 VanDerWaalsContact C-N 3.29Å; L1030-K1086 HydrophobicContact CD2-CG 3.96Å; L1030-F1087 HydrophobicContact CD2-CD1 4.4Å; L1030-V1090 HydrophobicContact CB-CG2 4.47Å; L1030-V1090 HydrophobicContact CD2-CG2 3.9Å; L1030-F1138 HydrophobicContact CB-CD2 4.36Å; L1030-F1138 HydrophobicContact CB-CE2 3.91Å; L1030-F1138 HydrophobicContact CD2-CE2 4.1Å; L1030-F1138 HydrophobicContact CG-CE2 4.16Å; L1030-F1138 WeakPolarHBondContact O-CD2 3.48Å; L1030-N1142 PolarHBondContact O-ND2 2.77Å
1031	R	88.4	Confident	85.1	Confident	77 Å²	77	45.8 Å²	45.8	29%	0.291	24%	0.239	S	C	.	.			trans	-120.9	136.8	164.9	-59.6	-63	173.2	-83.5	0.6	108.1	T1028 D1029 P1033 N1142 I1145	T1028-R1031 PolarHBondContact O-NH1 3.48Å; D1029-R1031 PolarHBondContact O-N 3.12Å; R1031-P1033 WeakPolarHBondContact O-CD 3.11Å; R1031-N1142 WeakPolarHBondContact CA-OD1 3.12Å; R1031-I1145 HydrophobicContact CB-CD1 4.15Å
1032	I	87.4	Confident	85.4	Confident	12 Å²	12	45 Å²	45	6%	0.062	24%	0.235	C	C	.	.			trans	-61.5	124.1	176.1	-73.3	177.2	0	0	0	109.5	V1036 L1083 F1087 N1142 I1145 L1146	I1032-V1036 HydrophobicContact CG2-CB 3.92Å; I1032-V1036 HydrophobicContact CG2-CG1 4.15Å; I1032-L1083 HydrophobicContact CD1-CD1 3.78Å; I1032-L1083 HydrophobicContact CD1-CD2 3.92Å; I1032-L1083 HydrophobicContact CD1-CG 4.16Å; I1032-L1083 HydrophobicContact CG1-CD1 4.27Å; I1032-F1087 HydrophobicContact CD1-CE1 3.83Å; I1032-F1087 HydrophobicContact CD1-CE2 4.4Å; I1032-F1087 HydrophobicContact CD1-CZ 3.41Å; I1032-F1087 VanDerWaalsContact CD1-CZ 3.41Å; I1032-F1087 HydrophobicContact CG1-CE1 4.1Å; I1032-F1087 HydrophobicContact CG1-CZ 4.18Å; I1032-N1142 PolarHBondContact N-OD1 2.86Å; I1032-I1145 HydrophobicContact CB-CG2 4.23Å; I1032-I1145 HydrophobicContact CG2-CG2 4.49Å; I1032-L1146 HydrophobicContact CD1-CD1 3.86Å; I1032-L1146 HydrophobicContact CD1-CD2 3.81Å; I1032-L1146 HydrophobicContact CD1-CG 3.83Å
1033	P	87.3	Confident	85.7	Confident	55 Å²	55	38.4 Å²	38.4	36%	0.357	20%	0.204	S	C	.	.			trans	-66.9	137.8	171.9	-16.8	30.4	0	0	0	110.2	R1031 S1035 V1036	R1031-P1033 WeakPolarHBondContact O-CD 3.11Å; P1033-S1035 PolarHBondContact O-N 3.23Å; P1033-V1036 HydrophobicContact CB-CG2 4.28Å; P1033-V1036 HydrophobicContact CG-CG2 4.19Å; P1033-V1036 VanDerWaalsContact O-CB 3.31Å; P1033-V1036 WeakPolarHBondContact O-CB 3.41Å; P1033-V1036 PolarHBondContact O-N 2.96Å
1034	A	84.9	Confident	86	Confident	46 Å²	46	30.3 Å²	30.3	38%	0.38	17%	0.17	S	C	.	.	H	α-helix	trans	-52.2	-35.1	-178	0	0	0	0	0	113.6	V1036 C1037 T1038 K1149	A1034-V1036 PolarHBondContact O-N 3.05Å; A1034-V1036 VanDerWaalsContact O-N 3.11Å; A1034-C1037 WeakPolarHBondContact O-CA 3.44Å; A1034-C1037 WeakPolarHBondContact O-CB 3.4Å; A1034-C1037 PolarHBondContact O-N 3.01Å; A1034-T1038 PolarHBondContact O-N 3.1Å; A1034-T1038 PolarHBondContact O-OG1 3.16Å; A1034-K1149 HydrophobicContact CB-CD 4.34Å
1035	S	86.8	Confident	86.4	Confident	12 Å²	12	29.4 Å²	29.4	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-55.1	-28.5	174.5	60.5	0	0	0	0	114.6	W956 K1020 P1033 M1039	W956-S1035 VanDerWaalsContact CB-CB 3.49Å; W956-S1035 WeakPolarHBondContact O-CA 3.31Å; K1020-S1035 VanDerWaalsContact CE-OG 3.24Å; K1020-S1035 WeakPolarHBondContact CE-OG 3.4Å; K1020-S1035 PolarHBondContact NZ-OG 2.76Å; P1033-S1035 PolarHBondContact O-N 3.23Å; S1035-M1039 WeakPolarHBondContact O-CB 3.43Å; S1035-M1039 WeakPolarHBondContact O-CG 3.46Å; S1035-M1039 PolarHBondContact O-N 3.42Å
1036	V	88.6	Confident	87	Confident	4 Å²	4	27 Å²	27	2%	0.024	15%	0.145	C	C	.	.	H	α-helix	trans	-76.4	-34.1	179.1	178.9	0	0	0	0	110.4	F1017 K1020 I1032 P1033 A1034 F1040	F1017-V1036 HydrophobicContact CD2-CG1 3.82Å; F1017-V1036 HydrophobicContact CE2-CG1 3.28Å; F1017-V1036 HydrophobicContact CZ-CG1 3.89Å; K1020-V1036 HydrophobicContact CB-CG2 4.3Å; K1020-V1036 HydrophobicContact CG-CG2 3.82Å; I1032-V1036 HydrophobicContact CG2-CB 3.92Å; I1032-V1036 HydrophobicContact CG2-CG1 4.15Å; P1033-V1036 HydrophobicContact CB-CG2 4.28Å; P1033-V1036 HydrophobicContact CG-CG2 4.19Å; P1033-V1036 VanDerWaalsContact O-CB 3.31Å; P1033-V1036 WeakPolarHBondContact O-CB 3.41Å; P1033-V1036 PolarHBondContact O-N 2.96Å; A1034-V1036 PolarHBondContact O-N 3.05Å; A1034-V1036 VanDerWaalsContact O-N 3.11Å; V1036-F1040 PolarHBondContact O-N 2.71Å; V1036-F1040 VanDerWaalsContact O-N 3.13Å
1037	C	89.1	Confident	87.4	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-69	-41	168.4	-52.3	0	0	0	0	110.8	A1034 M1039 F1040 N1041 K1149 V1150	A1034-C1037 WeakPolarHBondContact O-CA 3.44Å; A1034-C1037 WeakPolarHBondContact O-CB 3.4Å; A1034-C1037 PolarHBondContact O-N 3.01Å; C1037-M1039 PolarHBondContact O-N 3.04Å; C1037-F1040 WeakPolarHBondContact O-CA 3.38Å; C1037-F1040 VanDerWaalsContact O-CB 3.29Å; C1037-F1040 WeakPolarHBondContact O-CB 3.48Å; C1037-F1040 PolarHBondContact O-N 3.45Å; C1037-F1040 VanDerWaalsContact O-N 3.07Å; C1037-N1041 PolarHBondContact O-N 2.75Å; C1037-K1149 HydrophobicContact CB-CB 3.73Å; C1037-V1150 HydrophobicContact CB-CG2 4.22Å
1038	T	90.2	Very high	87.6	Confident	5 Å²	5	23.8 Å²	23.8	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-58.4	-47.2	173.3	-53.9	0	0	0	0	111.8	G962 A1034 F1040 N1041 V1042	G962-T1038 WeakPolarHBondContact O-CG2 3.26Å; A1034-T1038 PolarHBondContact O-N 3.1Å; A1034-T1038 PolarHBondContact O-OG1 3.16Å; T1038-F1040 PolarHBondContact O-N 3.44Å; T1038-N1041 PolarHBondContact O-N 3.35Å; T1038-V1042 WeakPolarHBondContact O-CG2 3.46Å; T1038-V1042 PolarHBondContact O-N 3.07Å
1039	M	91.4	Very high	87.8	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-57.7	-36.1	173.3	-71.9	158.7	176.7	0	0	112.6	W956 T1013 A1016 F1017 K1020 S1035 C1037	W956-M1039 HydrophobicContact CB-CE 4.42Å; W956-M1039 HydrophobicContact CD2-CE 3.46Å; W956-M1039 VanDerWaalsContact CD2-CE 3.46Å; W956-M1039 HydrophobicContact CD2-CG 3.76Å; W956-M1039 HydrophobicContact CD2-SD 4.5Å; W956-M1039 HydrophobicContact CE3-CB 4.33Å; W956-M1039 HydrophobicContact CE3-CE 4.06Å; W956-M1039 HydrophobicContact CE3-CG 3.31Å; W956-M1039 HydrophobicContact CG-CE 3.61Å; W956-M1039 HydrophobicContact CG-CG 4.48Å; W956-M1039 HydrophobicContact CH2-CG 4.18Å; W956-M1039 HydrophobicContact CZ2-CE 4.15Å; W956-M1039 HydrophobicContact CZ3-CB 4.35Å; W956-M1039 HydrophobicContact CZ3-CG 3.56Å; T1013-M1039 HydrophobicContact CG2-CB 4.1Å; T1013-M1039 HydrophobicContact CG2-CG 4.47Å; T1013-M1039 VanDerWaalsContact CG2-O 3.24Å; T1013-M1039 WeakPolarHBondContact CG2-O 3.42Å; A1016-M1039 HydrophobicContact CB-CE 3.81Å; F1017-M1039 VanDerWaalsContact CA-SD 3.55Å; F1017-M1039 HydrophobicContact CB-CB 4.35Å; F1017-M1039 HydrophobicContact CB-SD 4.02Å; F1017-M1039 HydrophobicContact CD2-CB 4.02Å; F1017-M1039 HydrophobicContact CD2-SD 4.43Å; K1020-M1039 HydrophobicContact CB-CE 4.32Å; K1020-M1039 HydrophobicContact CB-SD 4.37Å; S1035-M1039 WeakPolarHBondContact O-CB 3.43Å; S1035-M1039 WeakPolarHBondContact O-CG 3.46Å; S1035-M1039 PolarHBondContact O-N 3.42Å; C1037-M1039 PolarHBondContact O-N 3.04Å
1040	F	89.5	Confident	87.9	Confident	6 Å²	6	20.4 Å²	20.4	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-67.1	-47.9	175.7	-162.5	-78.6	0	0	0	111.2	V1036 C1037 T1038 V1042 L1043 V1044 V1076 I1079 I1080 V1150 Y1155	V1036-F1040 PolarHBondContact O-N 2.71Å; V1036-F1040 VanDerWaalsContact O-N 3.13Å; C1037-F1040 WeakPolarHBondContact O-CA 3.38Å; C1037-F1040 VanDerWaalsContact O-CB 3.29Å; C1037-F1040 WeakPolarHBondContact O-CB 3.48Å; C1037-F1040 PolarHBondContact O-N 3.45Å; C1037-F1040 VanDerWaalsContact O-N 3.07Å; T1038-F1040 PolarHBondContact O-N 3.44Å; F1040-V1042 VanDerWaalsContact C-N 3.34Å; F1040-V1042 PolarHBondContact O-N 3.07Å; F1040-L1043 PolarHBondContact O-N 3.36Å; F1040-L1043 VanDerWaalsContact O-N 3.15Å; F1040-V1044 HydrophobicContact CD1-CG2 3.79Å; F1040-V1044 HydrophobicContact CE1-CG2 3.71Å; F1040-V1044 WeakPolarHBondContact O-CG2 3.36Å; F1040-V1044 PolarHBondContact O-N 3.41Å; F1040-V1044 VanDerWaalsContact O-N 3.15Å; F1040-V1076 HydrophobicContact CE2-CG1 4.48Å; F1040-V1076 HydrophobicContact CZ-CG1 3.98Å; F1040-I1079 HydrophobicContact CD2-CG2 3.55Å; F1040-I1079 HydrophobicContact CE2-CG2 3.77Å; F1040-I1080 HydrophobicContact CE2-CG1 3.79Å; F1040-I1080 HydrophobicContact CZ-CD1 4.18Å; F1040-I1080 HydrophobicContact CZ-CG1 3.95Å; F1040-V1150 HydrophobicContact CD1-CG1 3.68Å; F1040-V1150 HydrophobicContact CD1-CG2 4.34Å; F1040-V1150 HydrophobicContact CE1-CG1 3.8Å; F1040-Y1155 HydrophobicContact CE1-CG 4.32Å; F1040-Y1155 HydrophobicContact CZ-CG 4.49Å
1041	N	91	Very high	87.5	Confident	10 Å²	10	24.3 Å²	24.3	5%	0.053	13%	0.131	C	C	.	.	H	α-helix	trans	-64.8	-36.1	-179.2	-62.8	-19.5	0	0	0	112.5	N961 C1037 T1038 L1043 V1044 D1045 K1149 V1150 N1151	N961-N1041 CarbonylContact O-C 3.59Å; N961-N1041 WeakPolarHBondContact O-CB 3.44Å; C1037-N1041 PolarHBondContact O-N 2.75Å; T1038-N1041 PolarHBondContact O-N 3.35Å; N1041-L1043 VanDerWaalsContact C-N 3.25Å; N1041-L1043 PolarHBondContact O-N 3.35Å; N1041-V1044 PolarHBondContact O-N 3.4Å; N1041-V1044 VanDerWaalsContact O-N 3.12Å; N1041-D1045 PolarHBondContact O-N 2.92Å; N1041-K1149 PolarHBondContact ND2-O 2.85Å; N1041-V1150 VanDerWaalsContact OD1-CA 3.28Å; N1041-V1150 WeakPolarHBondContact OD1-CA 3.22Å; N1041-N1151 PolarHBondContact ND2-OD1 2.9Å; N1041-N1151 VanDerWaalsContact ND2-OD1 3.09Å; N1041-N1151 PolarHBondContact OD1-N 2.76Å
1042	V	91.3	Very high	87.1	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-55.6	-39.1	173.1	168.8	0	0	0	0	112.1	W956 T1013 T1038 F1040 A1046	W956-V1042 HydrophobicContact CZ3-CG2 4.46Å; T1013-V1042 HydrophobicContact CG2-CB 4.11Å; T1013-V1042 HydrophobicContact CG2-CG1 3.95Å; T1038-V1042 WeakPolarHBondContact O-CG2 3.46Å; T1038-V1042 PolarHBondContact O-N 3.07Å; F1040-V1042 VanDerWaalsContact C-N 3.34Å; F1040-V1042 PolarHBondContact O-N 3.07Å; V1042-A1046 VanDerWaalsContact O-CB 3.24Å; V1042-A1046 WeakPolarHBondContact O-CB 3.41Å; V1042-A1046 PolarHBondContact O-N 3.24Å
1043	L	89.9	Confident	86.7	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-76.1	-33.3	178.1	-63	-179.6	0	0	0	112.9	V1010 T1013 F1040 N1041 K1047 I1072 V1076 I1079	V1010-L1043 HydrophobicContact CB-CD2 3.98Å; V1010-L1043 HydrophobicContact CG1-CD2 3.77Å; V1010-L1043 HydrophobicContact CG2-CD2 3.89Å; T1013-L1043 HydrophobicContact CG2-CD1 4.41Å; T1013-L1043 HydrophobicContact CG2-CD2 3.94Å; T1013-L1043 HydrophobicContact CG2-CG 3.89Å; F1040-L1043 PolarHBondContact O-N 3.36Å; F1040-L1043 VanDerWaalsContact O-N 3.15Å; N1041-L1043 VanDerWaalsContact C-N 3.25Å; N1041-L1043 PolarHBondContact O-N 3.35Å; L1043-K1047 PolarHBondContact O-N 3.05Å; L1043-I1072 WeakPolarHBondContact O-CG2 3.4Å; L1043-V1076 HydrophobicContact CB-CG2 3.9Å; L1043-V1076 HydrophobicContact CD1-CG2 4.45Å; L1043-I1079 HydrophobicContact CD1-CD1 3.23Å
1044	V	87.8	Confident	86	Confident	6 Å²	6	23.3 Å²	23.3	4%	0.036	12%	0.124	C	C	.	.	H	α-helix	trans	-69.4	-43	175.6	168.8	0	0	0	0	111	F1040 N1041 K1047 K1048 E1152 Y1155	F1040-V1044 HydrophobicContact CD1-CG2 3.79Å; F1040-V1044 HydrophobicContact CE1-CG2 3.71Å; F1040-V1044 WeakPolarHBondContact O-CG2 3.36Å; F1040-V1044 PolarHBondContact O-N 3.41Å; F1040-V1044 VanDerWaalsContact O-N 3.15Å; N1041-V1044 PolarHBondContact O-N 3.4Å; N1041-V1044 VanDerWaalsContact O-N 3.12Å; V1044-K1047 WeakPolarHBondContact O-CB 3.42Å; V1044-K1047 PolarHBondContact O-N 3.13Å; V1044-K1048 PolarHBondContact O-N 2.87Å; V1044-E1152 HydrophobicContact CG1-CB 3.87Å; V1044-E1152 HydrophobicContact CG1-CG 3.3Å; V1044-Y1155 HydrophobicContact CG1-CD2 4.5Å; V1044-Y1155 HydrophobicContact CG1-CE2 4.48Å; V1044-Y1155 HydrophobicContact CG2-CD2 3.96Å; V1044-Y1155 HydrophobicContact CG2-CE2 4.17Å
1045	D	87.8	Confident	85	Confident	5 Å²	5	23.4 Å²	23.4	3%	0.027	13%	0.125	C	C	.	.	H	α-helix	trans	-70.1	-38.9	174.9	-158.4	76.3	0	0	0	111.2	N961 F970 N1041 K1047 K1048 Q1049	N961-D1045 HydrophobicContact CB-CB 4.01Å; N961-D1045 VanDerWaalsContact CB-OD1 3.31Å; N961-D1045 WeakPolarHBondContact CB-OD1 3.24Å; N961-D1045 PolarHBondContact ND2-OD1 2.74Å; F970-D1045 HydrophobicContact CE2-CB 4.44Å; N1041-D1045 PolarHBondContact O-N 2.92Å; D1045-K1047 PolarHBondContact O-N 3.15Å; D1045-K1047 VanDerWaalsContact O-N 3.09Å; D1045-K1048 CarbonylContact O-C 3.41Å; D1045-K1048 WeakPolarHBondContact O-CA 3.44Å; D1045-K1048 WeakPolarHBondContact O-CB 3.45Å; D1045-K1048 PolarHBondContact O-N 3.21Å; D1045-Q1049 WeakPolarHBondContact O-CG 2.95Å; D1045-Q1049 PolarHBondContact O-N 3.43Å; D1045-Q1049 WeakPolarHBondContact OD2-CG 3.42Å; D1045-Q1049 PolarHBondContact OD2-NE2 2.97Å
1046	A	88.6	Confident	83.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-53.4	-32.3	170	0	0	0	0	0	112.8	F970 V1010 V1042 S1050 I1072	F970-A1046 HydrophobicContact CZ-CB 3.91Å; V1010-A1046 HydrophobicContact CG2-CB 4.14Å; V1042-A1046 VanDerWaalsContact O-CB 3.24Å; V1042-A1046 WeakPolarHBondContact O-CB 3.41Å; V1042-A1046 PolarHBondContact O-N 3.24Å; A1046-S1050 WeakPolarHBondContact O-CB 3.39Å; A1046-S1050 PolarHBondContact O-N 3.03Å; A1046-S1050 PolarHBondContact O-OG 3.32Å; A1046-I1072 HydrophobicContact CB-CD1 4.33Å
1047	K	86.5	Confident	81.7	Confident	44 Å²	44	32.8 Å²	32.8	19%	0.191	17%	0.173	C	C	.	.	H	α-helix	trans	-69.8	-36.1	172.9	-152.8	-179.3	-173.8	178.9	0	113.3	L1043 V1044 D1045 S1050 D1069 I1072 D1073 Y1155	L1043-K1047 PolarHBondContact O-N 3.05Å; V1044-K1047 WeakPolarHBondContact O-CB 3.42Å; V1044-K1047 PolarHBondContact O-N 3.13Å; D1045-K1047 PolarHBondContact O-N 3.15Å; D1045-K1047 VanDerWaalsContact O-N 3.09Å; K1047-S1050 PolarHBondContact O-OG 3.32Å; K1047-D1069 WeakPolarHBondContact CE-OD1 3.45Å; K1047-D1069 WeakPolarHBondContact CE-OD2 3.41Å; K1047-D1069 IonicContact NZ-OD1 2.65Å; K1047-D1069 IonicContact NZ-OD2 2.91Å; K1047-D1069 PolarHBondContact NZ-OD2 3.39Å; K1047-D1069 VanDerWaalsContact NZ-OD2 3.1Å; K1047-I1072 HydrophobicContact CB-CG2 3.83Å; K1047-I1072 HydrophobicContact CD-CG2 4.36Å; K1047-I1072 HydrophobicContact CG-CG2 3.99Å; K1047-D1073 VanDerWaalsContact NZ-CG 3.33Å; K1047-D1073 IonicContact NZ-OD1 2.76Å; K1047-D1073 PolarHBondContact NZ-OD1 3.46Å; K1047-D1073 IonicContact NZ-OD2 3.42Å; K1047-Y1155 WeakPolarHBondContact CD-OH 3.46Å
1048	K	84.7	Confident	79.9	Confident	84 Å²	84	33.8 Å²	33.8	37%	0.365	18%	0.184	S	C	.	.	H	α-helix	trans	-67.3	-50.6	173.3	-62.2	178.8	179.3	-178.8	0	110	V1044 D1045 S1050 T1051 K1052 E1152	V1044-K1048 PolarHBondContact O-N 2.87Å; D1045-K1048 CarbonylContact O-C 3.41Å; D1045-K1048 WeakPolarHBondContact O-CA 3.44Å; D1045-K1048 WeakPolarHBondContact O-CB 3.45Å; D1045-K1048 PolarHBondContact O-N 3.21Å; K1048-S1050 PolarHBondContact O-N 3.35Å; K1048-T1051 PolarHBondContact O-N 3.14Å; K1048-T1051 PolarHBondContact O-OG1 2.89Å; K1048-K1052 PolarHBondContact O-N 3.02Å; K1048-E1152 WeakPolarHBondContact CE-OE1 3.25Å; K1048-E1152 IonicContact NZ-OE1 3.16Å; K1048-E1152 PolarHBondContact NZ-OE1 3.19Å
1049	Q	84.2	Confident	77.9	Confident	45 Å²	45	37.1 Å²	37.1	21%	0.21	22%	0.22	C	C	.	.	H	α-helix	trans	-67.9	-31.4	-176.7	-51.8	-54.8	-13.2	0	0	113.2	F970 D1045 T1051 K1052 L1053	F970-Q1049 HydrophobicContact CB-CG 4.22Å; F970-Q1049 HydrophobicContact CD1-CB 4.07Å; F970-Q1049 HydrophobicContact CD1-CG 3.99Å; F970-Q1049 HydrophobicContact CD2-CG 3.69Å; F970-Q1049 HydrophobicContact CE1-CB 4.22Å; F970-Q1049 HydrophobicContact CE1-CG 4.26Å; F970-Q1049 HydrophobicContact CE2-CG 3.96Å; F970-Q1049 HydrophobicContact CG-CB 4.29Å; F970-Q1049 HydrophobicContact CG-CG 3.72Å; F970-Q1049 HydrophobicContact CZ-CG 4.25Å; D1045-Q1049 WeakPolarHBondContact O-CG 2.95Å; D1045-Q1049 PolarHBondContact O-N 3.43Å; D1045-Q1049 WeakPolarHBondContact OD2-CG 3.42Å; D1045-Q1049 PolarHBondContact OD2-NE2 2.97Å; Q1049-T1051 VanDerWaalsContact C-N 3.33Å; Q1049-T1051 PolarHBondContact O-N 3.28Å; Q1049-K1052 PolarHBondContact O-N 3.46Å; Q1049-L1053 HydrophobicContact CB-CD1 4.05Å; Q1049-L1053 WeakPolarHBondContact O-CB 3.16Å; Q1049-L1053 WeakPolarHBondContact O-CG 3.19Å; Q1049-L1053 PolarHBondContact O-N 3.02Å
1050	S	84.2	Confident	75.7	Confident	4 Å²	4	46 Å²	46	3%	0.028	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-44.8	175.3	64.9	0	0	0	0	111.6	A1046 K1047 K1048 K1052 C1054 H1065	A1046-S1050 WeakPolarHBondContact O-CB 3.39Å; A1046-S1050 PolarHBondContact O-N 3.03Å; A1046-S1050 PolarHBondContact O-OG 3.32Å; K1047-S1050 PolarHBondContact O-OG 3.32Å; K1048-S1050 PolarHBondContact O-N 3.35Å; S1050-K1052 VanDerWaalsContact C-N 3.26Å; S1050-K1052 PolarHBondContact O-N 3.1Å; S1050-C1054 WeakPolarHBondContact O-CB 3.23Å; S1050-C1054 PolarHBondContact O-N 2.92Å; S1050-C1054 VanDerWaalsContact O-N 3.09Å; S1050-H1065 PolarHBondContact O-CE1 3.02Å
1051	T	78	Confident	73.8	Confident	90 Å²	90	48 Å²	48	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-65.7	-26.3	178.9	65.9	0	0	0	0	113.6	K1048 Q1049	K1048-T1051 PolarHBondContact O-N 3.14Å; K1048-T1051 PolarHBondContact O-OG1 2.89Å; Q1049-T1051 VanDerWaalsContact C-N 3.33Å; Q1049-T1051 PolarHBondContact O-N 3.28Å
1052	K	80.3	Confident	72	Confident	114 Å²	114	53 Å²	53	50%	0.496	29%	0.294	S	S	.	.	H	α-helix	trans	-81.8	-63.7	172.9	-171.4	-165.9	-176.7	-165.5	0	111.1	D974 K1048 Q1049 S1050 C1054	D974-K1052 VanDerWaalsContact OD1-CE 3.27Å; D974-K1052 WeakPolarHBondContact OD1-CE 3.3Å; D974-K1052 IonicContact OD1-NZ 3.23Å; D974-K1052 PolarHBondContact OD1-NZ 2.64Å; D974-K1052 IonicContact OD2-NZ 3.66Å; D974-K1052 PolarHBondContact OD2-NZ 3.43Å; K1048-K1052 PolarHBondContact O-N 3.02Å; Q1049-K1052 PolarHBondContact O-N 3.46Å; S1050-K1052 VanDerWaalsContact C-N 3.26Å; S1050-K1052 PolarHBondContact O-N 3.1Å; K1052-C1054 PolarHBondContact O-N 3.12Å
1053	L	78.1	Confident	70.4	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-72.1	-22.9	-165.6	-65.2	173.4	0	0	0	114	L973 D974 Q977 A1002 L1006 Q1049	L973-L1053 HydrophobicContact CB-CD1 3.95Å; L973-L1053 HydrophobicContact CB-CD2 4.4Å; L973-L1053 HydrophobicContact CD1-CD1 4.15Å; D974-L1053 HydrophobicContact CB-CD2 4.05Å; D974-L1053 WeakPolarHBondContact OD1-CD2 3.16Å; Q977-L1053 PolarHBondContact NE2-O 3.16Å; Q977-L1053 PolarHBondContact OE1-O 2.98Å; A1002-L1053 HydrophobicContact CB-CB 4.35Å; L1006-L1053 HydrophobicContact CD1-CD1 4.39Å; Q1049-L1053 HydrophobicContact CB-CD1 4.05Å; Q1049-L1053 WeakPolarHBondContact O-CB 3.16Å; Q1049-L1053 WeakPolarHBondContact O-CG 3.19Å; Q1049-L1053 PolarHBondContact O-N 3.02Å
1054	C	72.9	Confident	68.9	Low	9 Å²	9	63.5 Å²	63.5	6%	0.061	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-13	-177.2	-60	0	0	0	0	113.4	S1050 K1052 L1056 H1065	S1050-C1054 WeakPolarHBondContact O-CB 3.23Å; S1050-C1054 PolarHBondContact O-N 2.92Å; S1050-C1054 VanDerWaalsContact O-N 3.09Å; K1052-C1054 PolarHBondContact O-N 3.12Å; C1054-L1056 WeakPolarHBondContact O-CG 3.37Å; C1054-L1056 PolarHBondContact O-N 3.32Å; C1054-H1065 WeakPolarHBondContact CA-CE1 3.36Å; C1054-H1065 WeakPolarHBondContact CA-NE2 3.49Å; C1054-H1065 WeakPolarHBondContact CB-CE1 3.48Å; C1054-H1065 PolarHBondContact O-CE1 2.86Å; C1054-H1065 CovalentContact O-NE2 1.8Å; C1054-H1065 PolarHBondContact O-NE2 3.31Å
1055	A	64	Low	67.8	Low	48 Å²	48	65.5 Å²	65.5	40%	0.397	35%	0.347	S	S	.	.			trans	-46.3	124.6	-160.3	0	0	0	0	0	115.3	K999 H1065	K999-A1055 VanDerWaalsContact CE-O 3.22Å; K999-A1055 WeakPolarHBondContact CE-O 3.47Å; K999-A1055 PolarHBondContact NZ-O 2.93Å; A1055-H1065 WeakPolarHBondContact CA-CE1 3.17Å; A1055-H1065 WeakPolarHBondContact CA-NE2 3.27Å; A1055-H1065 PolarHBondContact N-CE1 2.81Å; A1055-H1065 PolarHBondContact N-NE2 3.42Å
1056	L	57.9	Low	66.9	Low	28 Å²	28	67.8 Å²	67.8	15%	0.147	36%	0.364	C	S	.	.			trans	-128.1	116.2	-176.5	-79.3	164.5	0	0	0	112.7	K999 C1054 G1058 E1061 H1065	K999-L1056 HydrophobicContact CD-CD2 3.64Å; K999-L1056 HydrophobicContact CD-CG 3.92Å; C1054-L1056 WeakPolarHBondContact O-CG 3.37Å; C1054-L1056 PolarHBondContact O-N 3.32Å; L1056-G1058 VanDerWaalsContact C-N 3.25Å; L1056-G1058 PolarHBondContact O-N 3.47Å; L1056-E1061 HydrophobicContact CD1-CB 3.89Å; L1056-H1065 PolarHBondContact N-NE2 2.76Å
1057	D	48.7	Very low	66.3	Low	185 Å²	185	72 Å²	72	99%	0.989	38%	0.382	S	S	*	.			trans	-78.4	70.3	167.3	-84.6	-37.9	0	0	0	110.8
1058	G	51.4	Low	66.2	Low	23 Å²	23	70.3 Å²	70.3	24%	0.237	38%	0.375	C	S	.	.			trans	-161.5	113.8	-177.8	0	0	0	0	0	114.2	L1056 Q1060 E1061 Q1062	L1056-G1058 VanDerWaalsContact C-N 3.25Å; L1056-G1058 PolarHBondContact O-N 3.47Å; G1058-Q1060 PolarHBondContact O-N 2.87Å; G1058-E1061 PolarHBondContact O-N 3.43Å; G1058-Q1062 PolarHBondContact O-N 3.39Å
1059	G	47.2	Very low	66.1	Low	75 Å²	75	68.9 Å²	68.9	77%	0.773	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-7.7	-174.8	0	0	0	0	0	116.6
1060	Q	45.8	Very low	66.1	Low	188 Å²	188	71 Å²	71	88%	0.879	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-18.4	170.2	-73.1	-173.3	-23.5	0	0	113.2	G1058	G1058-Q1060 PolarHBondContact O-N 2.87Å
1061	E	50.5	Low	66.3	Low	47 Å²	47	72.6 Å²	72.6	22%	0.22	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-9.8	-167.9	-51.9	-158.4	126	0	0	114.2	Q996 L1056 G1058 Q1063 Y1064	Q996-E1061 PolarHBondContact NE2-OE1 3.07Å; L1056-E1061 HydrophobicContact CD1-CB 3.89Å; G1058-E1061 PolarHBondContact O-N 3.43Å; E1061-Q1063 PolarHBondContact O-N 2.82Å; E1061-Y1064 PolarHBondContact O-N 3.01Å; E1061-Y1064 VanDerWaalsContact O-N 3.09Å
1062	Q	53.2	Low	66.8	Low	117 Å²	117	68.3 Å²	68.3	55%	0.547	37%	0.366	S	S	.	.	H	α-helix	trans	-50	-16.9	164.5	-73.1	176.9	-13.8	0	0	113.7	G1058 Y1064 H1065 S1066	G1058-Q1062 PolarHBondContact O-N 3.39Å; Q1062-Y1064 PolarHBondContact O-N 3.35Å; Q1062-H1065 WeakPolarHBondContact O-CB 3.46Å; Q1062-H1065 PolarHBondContact O-N 3.01Å; Q1062-S1066 PolarHBondContact O-N 3.18Å
1063	Q	56.5	Low	67.2	Low	116 Å²	116	64.4 Å²	64.4	54%	0.542	35%	0.351	S	S	.	.	H	α-helix	trans	-66.1	-17.9	176.4	-148.9	-158.1	56.2	0	0	114.4	E1061 S1066 K1067	E1061-Q1063 PolarHBondContact O-N 2.82Å; Q1063-S1066 PolarHBondContact O-OG 3.04Å; Q1063-K1067 WeakPolarHBondContact O-CD 3.3Å; Q1063-K1067 WeakPolarHBondContact O-CE 3.35Å; Q1063-K1067 WeakPolarHBondContact O-CG 3.41Å; Q1063-K1067 PolarHBondContact O-NZ 2.87Å; Q1063-K1067 VanDerWaalsContact OE1-CE 3.27Å
1064	Y	59.1	Low	67.7	Low	105 Å²	105	68.3 Å²	68.3	41%	0.412	37%	0.371	S	S	.	.	H	α-helix	trans	-84.7	-40.2	173.1	-68.7	-77.7	0	0	0	111.9	L1000 E1061 Q1062 S1066 K1067 I1068	L1000-Y1064 HydrophobicContact CD2-CD1 4.19Å; L1000-Y1064 HydrophobicContact CD2-CD2 4.24Å; L1000-Y1064 HydrophobicContact CD2-CE1 4.2Å; L1000-Y1064 HydrophobicContact CD2-CE2 4.23Å; L1000-Y1064 HydrophobicContact CD2-CG 4.21Å; E1061-Y1064 PolarHBondContact O-N 3.01Å; E1061-Y1064 VanDerWaalsContact O-N 3.09Å; Q1062-Y1064 PolarHBondContact O-N 3.35Å; Y1064-S1066 PolarHBondContact O-N 2.78Å; Y1064-K1067 HydrophobicContact CD1-CD 4.36Å; Y1064-K1067 PolarHBondContact O-N 3.24Å; Y1064-I1068 PolarHBondContact O-N 3.48Å
1065	H	64.8	Low	68.5	Low	47 Å²	47	68.3 Å²	68.3	22%	0.218	37%	0.372	C	S	.	.	H	α-helix	trans	-52.2	-53.9	167.7	-85.2	-84.9	0	0	0	112.1	S1050 C1054 A1055 L1056 Q1062 K1067 I1068 D1069	S1050-H1065 PolarHBondContact O-CE1 3.02Å; C1054-H1065 WeakPolarHBondContact CA-CE1 3.36Å; C1054-H1065 WeakPolarHBondContact CA-NE2 3.49Å; C1054-H1065 WeakPolarHBondContact CB-CE1 3.48Å; C1054-H1065 PolarHBondContact O-CE1 2.86Å; C1054-H1065 CovalentContact O-NE2 1.8Å; C1054-H1065 PolarHBondContact O-NE2 3.31Å; A1055-H1065 WeakPolarHBondContact CA-CE1 3.17Å; A1055-H1065 WeakPolarHBondContact CA-NE2 3.27Å; A1055-H1065 PolarHBondContact N-CE1 2.81Å; A1055-H1065 PolarHBondContact N-NE2 3.42Å; L1056-H1065 PolarHBondContact N-NE2 2.76Å; Q1062-H1065 WeakPolarHBondContact O-CB 3.46Å; Q1062-H1065 PolarHBondContact O-N 3.01Å; H1065-K1067 VanDerWaalsContact C-N 3.3Å; H1065-K1067 PolarHBondContact O-N 3.39Å; H1065-I1068 PolarHBondContact O-N 2.92Å; H1065-I1068 VanDerWaalsContact O-N 3.15Å; H1065-D1069 PolarHBondContact O-N 2.85Å
1066	S	68.3	Low	69.8	Low	54 Å²	54	66.1 Å²	66.1	38%	0.378	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-42.1	-176.5	72.3	0	0	0	0	111.2	Q1062 Q1063 Y1064 I1068 D1069 D1070	Q1062-S1066 PolarHBondContact O-N 3.18Å; Q1063-S1066 PolarHBondContact O-OG 3.04Å; Y1064-S1066 PolarHBondContact O-N 2.78Å; S1066-I1068 VanDerWaalsContact C-N 3.34Å; S1066-I1068 PolarHBondContact O-N 3.16Å; S1066-D1069 PolarHBondContact O-N 3.5Å; S1066-D1070 WeakPolarHBondContact O-CB 3.19Å; S1066-D1070 PolarHBondContact O-N 2.91Å; S1066-D1070 VanDerWaalsContact O-OD2 3.1Å
1067	K	77	Confident	71.3	Confident	88 Å²	88	69.5 Å²	69.5	38%	0.383	37%	0.367	S	S	.	.	H	α-helix	trans	-58.4	-42.5	177	-72.2	163.3	-161.2	154.9	0	112.6	Q1063 Y1064 H1065 L1071	Q1063-K1067 WeakPolarHBondContact O-CD 3.3Å; Q1063-K1067 WeakPolarHBondContact O-CE 3.35Å; Q1063-K1067 WeakPolarHBondContact O-CG 3.41Å; Q1063-K1067 PolarHBondContact O-NZ 2.87Å; Q1063-K1067 VanDerWaalsContact OE1-CE 3.27Å; Y1064-K1067 HydrophobicContact CD1-CD 4.36Å; Y1064-K1067 PolarHBondContact O-N 3.24Å; H1065-K1067 VanDerWaalsContact C-N 3.3Å; H1065-K1067 PolarHBondContact O-N 3.39Å; K1067-L1071 WeakPolarHBondContact O-CB 3.39Å; K1067-L1071 PolarHBondContact O-N 3.49Å
1068	I	83.1	Confident	73.2	Confident	8 Å²	8	64.8 Å²	64.8	4%	0.041	34%	0.339	C	S	.	.	H	α-helix	trans	-79.5	-39.1	-179.2	-76.9	-172.8	0	0	0	112.3	S1003 E1007 Y1064 H1065 S1066 L1071 I1072	S1003-I1068 VanDerWaalsContact C-CD1 3.47Å; S1003-I1068 WeakPolarHBondContact O-CD1 3.43Å; S1003-I1068 WeakPolarHBondContact OG-CD1 3.32Å; E1007-I1068 HydrophobicContact CB-CD1 4.33Å; Y1064-I1068 PolarHBondContact O-N 3.48Å; H1065-I1068 PolarHBondContact O-N 2.92Å; H1065-I1068 VanDerWaalsContact O-N 3.15Å; S1066-I1068 VanDerWaalsContact C-N 3.34Å; S1066-I1068 PolarHBondContact O-N 3.16Å; I1068-L1071 PolarHBondContact O-N 3.2Å; I1068-I1072 HydrophobicContact CG2-CD1 3.62Å; I1068-I1072 HydrophobicContact CG2-CG1 4.27Å; I1068-I1072 WeakPolarHBondContact O-CB 3.23Å; I1068-I1072 VanDerWaalsContact O-CG1 3.29Å; I1068-I1072 WeakPolarHBondContact O-CG1 3.36Å; I1068-I1072 PolarHBondContact O-N 3.35Å
1069	D	82.4	Confident	75.1	Confident	54 Å²	54	63.7 Å²	63.7	29%	0.289	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-45.3	174	-153.4	65.3	0	0	0	110.4	K1047 H1065 S1066 L1071 I1072 D1073	K1047-D1069 WeakPolarHBondContact CE-OD1 3.45Å; K1047-D1069 WeakPolarHBondContact CE-OD2 3.41Å; K1047-D1069 IonicContact NZ-OD1 2.65Å; K1047-D1069 IonicContact NZ-OD2 2.91Å; K1047-D1069 PolarHBondContact NZ-OD2 3.39Å; K1047-D1069 VanDerWaalsContact NZ-OD2 3.1Å; H1065-D1069 PolarHBondContact O-N 2.85Å; S1066-D1069 PolarHBondContact O-N 3.5Å; D1069-L1071 VanDerWaalsContact C-N 3.34Å; D1069-L1071 PolarHBondContact O-N 2.86Å; D1069-I1072 PolarHBondContact O-N 2.93Å; D1069-D1073 WeakPolarHBondContact O-CB 3.48Å; D1069-D1073 PolarHBondContact O-N 2.9Å
1070	D	85.8	Confident	77.2	Confident	90 Å²	90	60.4 Å²	60.4	48%	0.481	29%	0.292	S	S	.	.	H	α-helix	trans	-56	-46.2	171.2	-78.3	-39.8	0	0	0	111.5	S1066 N1074	S1066-D1070 WeakPolarHBondContact O-CB 3.19Å; S1066-D1070 PolarHBondContact O-N 2.91Å; S1066-D1070 VanDerWaalsContact O-OD2 3.1Å; D1070-N1074 WeakPolarHBondContact O-CB 3.29Å; D1070-N1074 PolarHBondContact O-N 3.44Å; D1070-N1074 PolarHBondContact O-ND2 3.29Å
1071	L	87.8	Confident	79.3	Confident	37 Å²	37	54.1 Å²	54.1	19%	0.194	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-39.6	-178.4	175.8	137.7	0	0	0	112.7	E1007 V1010 K1067 I1068 D1069 S1075	E1007-L1071 HydrophobicContact CG-CD1 3.83Å; E1007-L1071 HydrophobicContact CG-CD2 4.06Å; E1007-L1071 VanDerWaalsContact OE1-CD1 3.24Å; E1007-L1071 WeakPolarHBondContact OE1-CD1 3.44Å; V1010-L1071 HydrophobicContact CB-CD2 3.93Å; V1010-L1071 HydrophobicContact CG1-CD2 3.52Å; V1010-L1071 HydrophobicContact CG2-CD2 4.5Å; K1067-L1071 WeakPolarHBondContact O-CB 3.39Å; K1067-L1071 PolarHBondContact O-N 3.49Å; I1068-L1071 PolarHBondContact O-N 3.2Å; D1069-L1071 VanDerWaalsContact C-N 3.34Å; D1069-L1071 PolarHBondContact O-N 2.86Å; L1071-S1075 VanDerWaalsContact O-CB 3.23Å; L1071-S1075 WeakPolarHBondContact O-CB 3.38Å; L1071-S1075 PolarHBondContact O-N 2.7Å; L1071-S1075 PolarHBondContact O-OG 3.25Å
1072	I	88.1	Confident	81.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-52	174.3	-69.5	165.4	0	0	0	109.6	V1010 L1043 A1046 K1047 I1068 D1069 N1074 S1075 V1076	V1010-I1072 HydrophobicContact CG2-CD1 4.42Å; V1010-I1072 HydrophobicContact CG2-CG1 3.75Å; L1043-I1072 WeakPolarHBondContact O-CG2 3.4Å; A1046-I1072 HydrophobicContact CB-CD1 4.33Å; K1047-I1072 HydrophobicContact CB-CG2 3.83Å; K1047-I1072 HydrophobicContact CD-CG2 4.36Å; K1047-I1072 HydrophobicContact CG-CG2 3.99Å; I1068-I1072 HydrophobicContact CG2-CD1 3.62Å; I1068-I1072 HydrophobicContact CG2-CG1 4.27Å; I1068-I1072 WeakPolarHBondContact O-CB 3.23Å; I1068-I1072 VanDerWaalsContact O-CG1 3.29Å; I1068-I1072 WeakPolarHBondContact O-CG1 3.36Å; I1068-I1072 PolarHBondContact O-N 3.35Å; D1069-I1072 PolarHBondContact O-N 2.93Å; I1072-N1074 VanDerWaalsContact C-N 3.32Å; I1072-N1074 PolarHBondContact O-N 3.48Å; I1072-S1075 WeakPolarHBondContact O-CB 3.24Å; I1072-S1075 PolarHBondContact O-N 3.37Å; I1072-S1075 VanDerWaalsContact O-N 3.08Å; I1072-V1076 HydrophobicContact CG2-CG2 4.4Å; I1072-V1076 WeakPolarHBondContact O-CG2 3.25Å; I1072-V1076 PolarHBondContact O-N 3.33Å
1073	D	88.5	Confident	83	Confident	33 Å²	33	49.4 Å²	49.4	18%	0.176	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-33.7	-173.9	-141.9	56.5	0	0	0	111.3	K1047 D1069 K1077 Y1155	K1047-D1073 VanDerWaalsContact NZ-CG 3.33Å; K1047-D1073 IonicContact NZ-OD1 2.76Å; K1047-D1073 PolarHBondContact NZ-OD1 3.46Å; K1047-D1073 IonicContact NZ-OD2 3.42Å; D1069-D1073 WeakPolarHBondContact O-CB 3.48Å; D1069-D1073 PolarHBondContact O-N 2.9Å; D1073-K1077 WeakPolarHBondContact O-CB 3.46Å; D1073-K1077 WeakPolarHBondContact O-CD 3.47Å; D1073-K1077 VanDerWaalsContact O-CE 3.31Å; D1073-K1077 WeakPolarHBondContact O-CE 3.35Å; D1073-K1077 WeakPolarHBondContact O-CG 3.37Å; D1073-K1077 PolarHBondContact O-N 3.19Å; D1073-K1077 WeakPolarHBondContact OD2-CE 3.28Å; D1073-K1077 IonicContact OD2-NZ 3.58Å; D1073-K1077 PolarHBondContact OD2-NZ 3.04Å; D1073-Y1155 PolarHBondContact OD1-OH 3.27Å
1074	N	89.4	Confident	84.7	Confident	82 Å²	82	44 Å²	44	44%	0.439	22%	0.224	S	C	.	.	H	α-helix	trans	-70.5	-39.3	170	-68.1	-33	0	0	0	112.3	D1070 I1072 V1076 K1077 E1078	D1070-N1074 WeakPolarHBondContact O-CB 3.29Å; D1070-N1074 PolarHBondContact O-N 3.44Å; D1070-N1074 PolarHBondContact O-ND2 3.29Å; I1072-N1074 VanDerWaalsContact C-N 3.32Å; I1072-N1074 PolarHBondContact O-N 3.48Å; N1074-V1076 PolarHBondContact O-N 2.9Å; N1074-K1077 PolarHBondContact O-N 3.3Å; N1074-K1077 PolarHBondContact OD1-NZ 3.36Å; N1074-E1078 WeakPolarHBondContact O-CB 3.47Å; N1074-E1078 PolarHBondContact O-N 2.92Å
1075	S	89.8	Confident	86.2	Confident	9 Å²	9	42.8 Å²	42.8	6%	0.063	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-41.4	174.2	-63.1	0	0	0	0	111.9	L1071 I1072 E1078 I1079	L1071-S1075 VanDerWaalsContact O-CB 3.23Å; L1071-S1075 WeakPolarHBondContact O-CB 3.38Å; L1071-S1075 PolarHBondContact O-N 2.7Å; L1071-S1075 PolarHBondContact O-OG 3.25Å; I1072-S1075 WeakPolarHBondContact O-CB 3.24Å; I1072-S1075 PolarHBondContact O-N 3.37Å; I1072-S1075 VanDerWaalsContact O-N 3.08Å; S1075-E1078 PolarHBondContact O-N 3.36Å; S1075-I1079 VanDerWaalsContact O-CB 3.28Å; S1075-I1079 WeakPolarHBondContact O-CB 3.19Å; S1075-I1079 WeakPolarHBondContact O-CG1 3.4Å; S1075-I1079 PolarHBondContact O-N 2.58Å
1076	V	89.8	Confident	87.3	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-68.2	-44.3	176.2	176.2	0	0	0	0	111.4	F1040 L1043 I1072 N1074 E1078 I1079 I1080 Y1155	F1040-V1076 HydrophobicContact CE2-CG1 4.48Å; F1040-V1076 HydrophobicContact CZ-CG1 3.98Å; L1043-V1076 HydrophobicContact CB-CG2 3.9Å; L1043-V1076 HydrophobicContact CD1-CG2 4.45Å; I1072-V1076 HydrophobicContact CG2-CG2 4.4Å; I1072-V1076 WeakPolarHBondContact O-CG2 3.25Å; I1072-V1076 PolarHBondContact O-N 3.33Å; N1074-V1076 PolarHBondContact O-N 2.9Å; V1076-E1078 VanDerWaalsContact C-N 3.31Å; V1076-E1078 PolarHBondContact O-N 3.01Å; V1076-I1079 PolarHBondContact O-N 3.45Å; V1076-I1080 HydrophobicContact CG1-CD1 4.02Å; V1076-I1080 HydrophobicContact CG1-CG1 4.47Å; V1076-I1080 WeakPolarHBondContact O-CB 3.05Å; V1076-I1080 WeakPolarHBondContact O-CG1 3.07Å; V1076-I1080 PolarHBondContact O-N 2.84Å; V1076-Y1155 HydrophobicContact CB-CE1 4.45Å; V1076-Y1155 HydrophobicContact CG1-CD1 3.57Å; V1076-Y1155 HydrophobicContact CG1-CE1 3.57Å; V1076-Y1155 HydrophobicContact CG1-CG 4.4Å
1077	K	89.7	Confident	88.5	Confident	99 Å²	99	39 Å²	39	43%	0.43	21%	0.207	S	C	.	.	H	α-helix	trans	-56.5	-43.6	173.2	-72.7	158.3	-156	154.5	0	111.8	D1073 N1074 S1081	D1073-K1077 WeakPolarHBondContact O-CB 3.46Å; D1073-K1077 WeakPolarHBondContact O-CD 3.47Å; D1073-K1077 VanDerWaalsContact O-CE 3.31Å; D1073-K1077 WeakPolarHBondContact O-CE 3.35Å; D1073-K1077 WeakPolarHBondContact O-CG 3.37Å; D1073-K1077 PolarHBondContact O-N 3.19Å; D1073-K1077 WeakPolarHBondContact OD2-CE 3.28Å; D1073-K1077 IonicContact OD2-NZ 3.58Å; D1073-K1077 PolarHBondContact OD2-NZ 3.04Å; N1074-K1077 PolarHBondContact O-N 3.3Å; N1074-K1077 PolarHBondContact OD1-NZ 3.36Å; K1077-S1081 WeakPolarHBondContact O-CB 3.4Å; K1077-S1081 PolarHBondContact O-N 3.35Å
1078	E	89.6	Confident	89.1	Confident	85 Å²	85	35.4 Å²	35.4	40%	0.397	19%	0.192	S	C	.	.	H	α-helix	trans	-71.2	-38.3	-179.4	-164.2	169.4	165.2	0	0	111.9	R1014 N1074 S1075 V1076 S1081 L1082	R1014-E1078 IonicContact CZ-OE1 3.26Å; R1014-E1078 IonicContact CZ-OE2 2.84Å; R1014-E1078 VanDerWaalsContact CZ-OE2 3.3Å; R1014-E1078 IonicContact NH1-OE1 2.73Å; R1014-E1078 IonicContact NH1-OE2 3.24Å; R1014-E1078 PolarHBondContact NH1-OE2 2.93Å; R1014-E1078 IonicContact NH2-OE1 3.37Å; R1014-E1078 PolarHBondContact NH2-OE1 2.81Å; R1014-E1078 IonicContact NH2-OE2 3.17Å; R1014-E1078 PolarHBondContact NH2-OE2 3.13Å; N1074-E1078 WeakPolarHBondContact O-CB 3.47Å; N1074-E1078 PolarHBondContact O-N 2.92Å; S1075-E1078 PolarHBondContact O-N 3.36Å; V1076-E1078 VanDerWaalsContact C-N 3.31Å; V1076-E1078 PolarHBondContact O-N 3.01Å; E1078-S1081 WeakPolarHBondContact O-CB 3.5Å; E1078-S1081 PolarHBondContact O-N 2.97Å; E1078-L1082 HydrophobicContact CG-CD1 4.45Å; E1078-L1082 WeakPolarHBondContact O-CB 3.34Å; E1078-L1082 VanDerWaalsContact O-CG 3.27Å; E1078-L1082 WeakPolarHBondContact O-CG 3.26Å; E1078-L1082 PolarHBondContact O-N 2.82Å
1079	I	90.4	Very high	89.4	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-63.8	-42.7	173.5	-85.9	168.1	0	0	0	112.4	R1014 F1017 F1040 L1043 S1075 V1076 S1081 L1082 L1083	R1014-I1079 HydrophobicContact CB-CD1 4.39Å; R1014-I1079 HydrophobicContact CG-CD1 4.28Å; F1017-I1079 HydrophobicContact CB-CD1 4.27Å; F1017-I1079 HydrophobicContact CD1-CD1 4.27Å; F1017-I1079 HydrophobicContact CD1-CG1 3.71Å; F1017-I1079 HydrophobicContact CD1-CG2 4.44Å; F1017-I1079 HydrophobicContact CD2-CD1 4.37Å; F1017-I1079 HydrophobicContact CD2-CG1 4.41Å; F1017-I1079 HydrophobicContact CD2-CG2 4.15Å; F1017-I1079 HydrophobicContact CE1-CB 4.23Å; F1017-I1079 HydrophobicContact CE1-CG1 3.9Å; F1017-I1079 HydrophobicContact CE1-CG2 3.97Å; F1017-I1079 HydrophobicContact CE2-CG2 3.63Å; F1017-I1079 HydrophobicContact CG-CD1 4.07Å; F1017-I1079 HydrophobicContact CG-CG1 4Å; F1017-I1079 HydrophobicContact CZ-CB 4.32Å; F1017-I1079 HydrophobicContact CZ-CG1 4.35Å; F1017-I1079 HydrophobicContact CZ-CG2 3.56Å; F1040-I1079 HydrophobicContact CD2-CG2 3.55Å; F1040-I1079 HydrophobicContact CE2-CG2 3.77Å; L1043-I1079 HydrophobicContact CD1-CD1 3.23Å; S1075-I1079 VanDerWaalsContact O-CB 3.28Å; S1075-I1079 WeakPolarHBondContact O-CB 3.19Å; S1075-I1079 WeakPolarHBondContact O-CG1 3.4Å; S1075-I1079 PolarHBondContact O-N 2.58Å; V1076-I1079 PolarHBondContact O-N 3.45Å; I1079-S1081 VanDerWaalsContact C-N 3.34Å; I1079-L1082 PolarHBondContact O-N 3.37Å; I1079-L1083 WeakPolarHBondContact O-CB 3.2Å; I1079-L1083 PolarHBondContact O-N 3.23Å
1080	I	90.8	Very high	89.8	Confident	6 Å²	6	33.3 Å²	33.3	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-57.4	-49.6	169.9	-72	171.3	0	0	0	109.7	F1040 V1076 L1082 L1083 V1084 Y1155 L1159	F1040-I1080 HydrophobicContact CE2-CG1 3.79Å; F1040-I1080 HydrophobicContact CZ-CD1 4.18Å; F1040-I1080 HydrophobicContact CZ-CG1 3.95Å; V1076-I1080 HydrophobicContact CG1-CD1 4.02Å; V1076-I1080 HydrophobicContact CG1-CG1 4.47Å; V1076-I1080 WeakPolarHBondContact O-CB 3.05Å; V1076-I1080 WeakPolarHBondContact O-CG1 3.07Å; V1076-I1080 PolarHBondContact O-N 2.84Å; I1080-L1082 PolarHBondContact O-N 3.26Å; I1080-L1083 PolarHBondContact O-N 3.11Å; I1080-V1084 HydrophobicContact CG2-CG2 4.37Å; I1080-V1084 VanDerWaalsContact O-CG2 3.31Å; I1080-V1084 WeakPolarHBondContact O-CG2 3.15Å; I1080-V1084 PolarHBondContact O-N 3.2Å; I1080-Y1155 HydrophobicContact CD1-CD1 4.27Å; I1080-L1159 HydrophobicContact CB-CD1 4.48Å; I1080-L1159 HydrophobicContact CG1-CB 4.49Å; I1080-L1159 HydrophobicContact CG2-CB 4.28Å; I1080-L1159 HydrophobicContact CG2-CD1 3.91Å
1081	S	91.1	Very high	89.9	Confident	55 Å²	55	29 Å²	29	39%	0.385	16%	0.159	S	C	.	.	H	α-helix	trans	-60.5	-42.5	-179.7	-165.5	0	0	0	0	113.3	K1077 E1078 I1079 S1085	K1077-S1081 WeakPolarHBondContact O-CB 3.4Å; K1077-S1081 PolarHBondContact O-N 3.35Å; E1078-S1081 WeakPolarHBondContact O-CB 3.5Å; E1078-S1081 PolarHBondContact O-N 2.97Å; I1079-S1081 VanDerWaalsContact C-N 3.34Å; S1081-S1085 VanDerWaalsContact O-CB 3.27Å; S1081-S1085 WeakPolarHBondContact O-CB 3.11Å; S1081-S1085 PolarHBondContact O-N 2.68Å
1082	L	90.5	Very high	89.9	Confident	61 Å²	61	32 Å²	32	32%	0.319	17%	0.172	S	C	.	.	H	α-helix	trans	-64.1	-41.2	175.5	-73.7	167.7	0	0	0	111.8	F1017 E1018 L1021 E1078 I1079 I1080 S1085 K1086	F1017-L1082 HydrophobicContact CE1-CB 4.42Å; E1018-L1082 HydrophobicContact CG-CD1 3.91Å; L1021-L1082 HydrophobicContact CD2-CB 3.95Å; E1078-L1082 HydrophobicContact CG-CD1 4.45Å; E1078-L1082 WeakPolarHBondContact O-CB 3.34Å; E1078-L1082 VanDerWaalsContact O-CG 3.27Å; E1078-L1082 WeakPolarHBondContact O-CG 3.26Å; E1078-L1082 PolarHBondContact O-N 2.82Å; I1079-L1082 PolarHBondContact O-N 3.37Å; I1080-L1082 PolarHBondContact O-N 3.26Å; L1082-S1085 PolarHBondContact O-N 2.9Å; L1082-K1086 PolarHBondContact O-N 3.48Å
1083	L	90.3	Very high	89.8	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-68.1	-45	179.1	-163.6	60.4	0	0	0	111.5	F1017 L1021 I1032 I1079 I1080 K1086 F1087 L1146 L1159	F1017-L1083 HydrophobicContact CZ-CB 4.44Å; F1017-L1083 HydrophobicContact CZ-CD1 4.39Å; L1021-L1083 HydrophobicContact CD1-CD1 3.86Å; L1021-L1083 HydrophobicContact CD2-CD1 4.25Å; I1032-L1083 HydrophobicContact CD1-CD1 3.78Å; I1032-L1083 HydrophobicContact CD1-CD2 3.92Å; I1032-L1083 HydrophobicContact CD1-CG 4.16Å; I1032-L1083 HydrophobicContact CG1-CD1 4.27Å; I1079-L1083 WeakPolarHBondContact O-CB 3.2Å; I1079-L1083 PolarHBondContact O-N 3.23Å; I1080-L1083 PolarHBondContact O-N 3.11Å; L1083-K1086 WeakPolarHBondContact O-CB 3.16Å; L1083-K1086 PolarHBondContact O-N 3.39Å; L1083-F1087 HydrophobicContact CG-CE2 4.16Å; L1083-F1087 HydrophobicContact CG-CZ 4.39Å; L1083-F1087 WeakPolarHBondContact O-CG 3.24Å; L1083-F1087 PolarHBondContact O-N 2.96Å; L1083-L1146 HydrophobicContact CD2-CD2 4.17Å; L1083-L1159 HydrophobicContact CB-CD1 4.34Å; L1083-L1159 HydrophobicContact CD2-CD1 4.12Å; L1083-L1159 HydrophobicContact CD2-CD2 3.93Å; L1083-L1159 HydrophobicContact CG-CD1 4.48Å
1084	V	91.8	Very high	89.7	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-47.8	171.2	171.3	0	0	0	0	110.9	I1080 K1086 F1087 V1088 L1159 Q1162 W1163	I1080-V1084 HydrophobicContact CG2-CG2 4.37Å; I1080-V1084 VanDerWaalsContact O-CG2 3.31Å; I1080-V1084 WeakPolarHBondContact O-CG2 3.15Å; I1080-V1084 PolarHBondContact O-N 3.2Å; V1084-K1086 VanDerWaalsContact C-N 3.28Å; V1084-K1086 PolarHBondContact O-N 3.12Å; V1084-F1087 PolarHBondContact O-N 2.95Å; V1084-V1088 HydrophobicContact CG1-CG2 4.02Å; V1084-V1088 WeakPolarHBondContact O-CB 3.3Å; V1084-V1088 VanDerWaalsContact O-CG2 3.26Å; V1084-V1088 WeakPolarHBondContact O-CG2 3.41Å; V1084-V1088 PolarHBondContact O-N 3.11Å; V1084-L1159 HydrophobicContact CG2-CD1 3.77Å; V1084-Q1162 HydrophobicContact CG1-CG 4.32Å; V1084-Q1162 HydrophobicContact CG2-CB 4.14Å; V1084-Q1162 HydrophobicContact CG2-CG 4.09Å; V1084-W1163 HydrophobicContact CG2-CB 4.06Å
1085	S	90.6	Very high	89.5	Confident	78 Å²	78	28 Å²	28	55%	0.545	16%	0.157	S	C	.	.	H	α-helix	trans	-58.5	-40.4	177.5	-179.3	0	0	0	0	111.8	S1081 L1082 V1088 S1089	S1081-S1085 VanDerWaalsContact O-CB 3.27Å; S1081-S1085 WeakPolarHBondContact O-CB 3.11Å; S1081-S1085 PolarHBondContact O-N 2.68Å; L1082-S1085 PolarHBondContact O-N 2.9Å; S1085-V1088 PolarHBondContact O-N 3.39Å; S1085-S1089 PolarHBondContact O-N 2.86Å
1086	K	89.8	Confident	89.2	Confident	22 Å²	22	31 Å²	31	10%	0.096	18%	0.178	C	C	.	.	H	α-helix	trans	-61.8	-49	174.7	-165.7	79.9	-178.3	-154.9	0	111.5	L1021 Q1022 A1024 S1025 L1030 L1082 L1083 V1084 S1089 V1090	L1021-K1086 HydrophobicContact CD1-CB 4.03Å; L1021-K1086 HydrophobicContact CD1-CD 4.19Å; L1021-K1086 HydrophobicContact CD1-CG 3.82Å; L1021-K1086 HydrophobicContact CD2-CB 4.4Å; L1021-K1086 HydrophobicContact CG-CB 4.37Å; L1021-K1086 HydrophobicContact CG-CD 4.32Å; L1021-K1086 HydrophobicContact CG-CG 4.37Å; L1021-K1086 PolarHBondContact O-NZ 2.99Å; Q1022-K1086 PolarHBondContact O-NZ 3.11Å; A1024-K1086 WeakPolarHBondContact O-CE 3.3Å; A1024-K1086 PolarHBondContact O-NZ 3.42Å; S1025-K1086 WeakPolarHBondContact O-CE 3.48Å; L1030-K1086 HydrophobicContact CD2-CG 3.96Å; L1082-K1086 PolarHBondContact O-N 3.48Å; L1083-K1086 WeakPolarHBondContact O-CB 3.16Å; L1083-K1086 PolarHBondContact O-N 3.39Å; V1084-K1086 VanDerWaalsContact C-N 3.28Å; V1084-K1086 PolarHBondContact O-N 3.12Å; K1086-S1089 PolarHBondContact O-N 3.39Å; K1086-S1089 PolarHBondContact O-OG 3.39Å; K1086-V1090 PolarHBondContact O-N 3.46Å
1087	F	91.9	Very high	88.8	Confident	1 Å²	1	35 Å²	35	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-62.3	-43.9	178	-66.5	-36.1	0	0	0	112.7	L1030 I1032 L1083 V1084 S1089 V1090 L1091 F1138 N1142 L1146 W1163	L1030-F1087 HydrophobicContact CD2-CD1 4.4Å; I1032-F1087 HydrophobicContact CD1-CE1 3.83Å; I1032-F1087 HydrophobicContact CD1-CE2 4.4Å; I1032-F1087 HydrophobicContact CD1-CZ 3.41Å; I1032-F1087 VanDerWaalsContact CD1-CZ 3.41Å; I1032-F1087 HydrophobicContact CG1-CE1 4.1Å; I1032-F1087 HydrophobicContact CG1-CZ 4.18Å; L1083-F1087 HydrophobicContact CG-CE2 4.16Å; L1083-F1087 HydrophobicContact CG-CZ 4.39Å; L1083-F1087 WeakPolarHBondContact O-CG 3.24Å; L1083-F1087 PolarHBondContact O-N 2.96Å; V1084-F1087 PolarHBondContact O-N 2.95Å; F1087-S1089 VanDerWaalsContact C-N 3.26Å; F1087-S1089 PolarHBondContact O-N 3.26Å; F1087-V1090 VanDerWaalsContact O-CB 3.32Å; F1087-V1090 WeakPolarHBondContact O-CB 3.21Å; F1087-V1090 PolarHBondContact O-N 2.71Å; F1087-L1091 PolarHBondContact O-N 2.96Å; F1087-F1138 HydrophobicContact CB-CZ 4.29Å; F1087-F1138 HydrophobicContact CD1-CE2 4.23Å; F1087-F1138 AromaticContact CD1-CZ 3.71Å; F1087-F1138 HydrophobicContact CD1-CZ 3.71Å; F1087-F1138 HydrophobicContact CE1-CZ 4.39Å; F1087-F1138 HydrophobicContact CG-CZ 4.37Å; F1087-N1142 HydrophobicContact CE1-CB 3.85Å; F1087-N1142 HydrophobicContact CZ-CB 3.85Å; F1087-L1146 HydrophobicContact CE2-CD1 4.01Å; F1087-L1146 HydrophobicContact CZ-CD1 3.89Å; F1087-W1163 HydrophobicContact CB-CD2 4.26Å; F1087-W1163 HydrophobicContact CB-CG 4.46Å; F1087-W1163 HydrophobicContact CB-CZ2 4Å; F1087-W1163 HydrophobicContact CD1-CH2 4.46Å; F1087-W1163 HydrophobicContact CD1-CZ2 4.23Å; F1087-W1163 AromaticContact CD2-CD2 3.32Å; F1087-W1163 HydrophobicContact CD2-CD2 3.32Å; F1087-W1163 AromaticContact CD2-CE2 3.43Å; F1087-W1163 VanDerWaalsContact CD2-CE2 3.43Å; F1087-W1163 AromaticContact CD2-CE3 3.54Å; F1087-W1163 HydrophobicContact CD2-CE3 3.54Å; F1087-W1163 AromaticContact CD2-CG 3.88Å; F1087-W1163 HydrophobicContact CD2-CG 3.88Å; F1087-W1163 AromaticContact CD2-CH2 3.96Å; F1087-W1163 HydrophobicContact CD2-CH2 3.96Å; F1087-W1163 AromaticContact CD2-CZ2 3.76Å; F1087-W1163 HydrophobicContact CD2-CZ2 3.76Å; F1087-W1163 AromaticContact CD2-CZ3 3.85Å; F1087-W1163 HydrophobicContact CD2-CZ3 3.85Å; F1087-W1163 AromaticContact CD2-NE1 3.95Å; F1087-W1163 HydrophobicContact CE1-CH2 4.29Å; F1087-W1163 AromaticContact CE2-CD2 3.74Å; F1087-W1163 HydrophobicContact CE2-CD2 3.74Å; F1087-W1163 AromaticContact CE2-CE3 3.4Å; F1087-W1163 HydrophobicContact CE2-CE3 3.4Å; F1087-W1163 AromaticContact CE2-CH2 3.77Å; F1087-W1163 HydrophobicContact CE2-CH2 3.77Å; F1087-W1163 HydrophobicContact CE2-CZ2 4.08Å; F1087-W1163 AromaticContact CE2-CZ3 3.42Å; F1087-W1163 HydrophobicContact CE2-CZ3 3.42Å; F1087-W1163 VanDerWaalsContact CE2-CZ3 3.42Å; F1087-W1163 HydrophobicContact CG-CD2 4.09Å; F1087-W1163 AromaticContact CG-CE2 3.69Å; F1087-W1163 HydrophobicContact CG-CH2 4.26Å; F1087-W1163 AromaticContact CG-CZ2 3.8Å; F1087-W1163 HydrophobicContact CG-CZ2 3.8Å; F1087-W1163 HydrophobicContact CZ-CE3 4.28Å; F1087-W1163 AromaticContact CZ-CH2 3.9Å; F1087-W1163 HydrophobicContact CZ-CH2 3.9Å; F1087-W1163 HydrophobicContact CZ-CZ2 4.4Å; F1087-W1163 AromaticContact CZ-CZ3 3.83Å; F1087-W1163 HydrophobicContact CZ-CZ3 3.83Å
1088	V	90.8	Very high	88.3	Confident	12 Å²	12	30.3 Å²	30.3	7%	0.073	18%	0.175	C	C	.	.	H	α-helix	trans	-61.5	-35.8	176.4	171.2	0	0	0	0	110.8	V1084 S1085 V1090 L1091 E1092 V1170	V1084-V1088 HydrophobicContact CG1-CG2 4.02Å; V1084-V1088 WeakPolarHBondContact O-CB 3.3Å; V1084-V1088 VanDerWaalsContact O-CG2 3.26Å; V1084-V1088 WeakPolarHBondContact O-CG2 3.41Å; V1084-V1088 PolarHBondContact O-N 3.11Å; S1085-V1088 PolarHBondContact O-N 3.39Å; V1088-V1090 PolarHBondContact O-N 2.75Å; V1088-L1091 CarbonylContact O-C 3.47Å; V1088-L1091 WeakPolarHBondContact O-CA 3.44Å; V1088-L1091 WeakPolarHBondContact O-CB 3.45Å; V1088-L1091 PolarHBondContact O-N 3.18Å; V1088-E1092 HydrophobicContact CG1-CG 4.41Å; V1088-E1092 WeakPolarHBondContact O-CG 3.37Å; V1088-E1092 PolarHBondContact O-N 2.99Å; V1088-V1170 HydrophobicContact CG1-CB 4.31Å; V1088-V1170 HydrophobicContact CG1-CG2 3.57Å
1089	S	88.9	Confident	87.8	Confident	15 Å²	15	27.7 Å²	27.7	11%	0.105	17%	0.166	C	C	.	.	H	α-helix	trans	-65	-20.9	174.2	80.3	0	0	0	0	114.4	S1085 K1086 F1087 E1092 G1093	S1085-S1089 PolarHBondContact O-N 2.86Å; K1086-S1089 PolarHBondContact O-N 3.39Å; K1086-S1089 PolarHBondContact O-OG 3.39Å; F1087-S1089 VanDerWaalsContact C-N 3.26Å; F1087-S1089 PolarHBondContact O-N 3.26Å; S1089-E1092 WeakPolarHBondContact CA-OE2 3.23Å; S1089-G1093 PolarHBondContact O-N 2.77Å; S1089-G1093 VanDerWaalsContact O-N 3.09Å
1090	V	89.6	Confident	87	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	19%	0.194	C	C	.	.	H	α-helix	trans	-75	-39.6	169.8	-179.4	0	0	0	0	110.7	T1028 L1030 K1086 F1087 V1088 G1093 V1094 F1138	T1028-V1090 HydrophobicContact CG2-CG1 3.97Å; L1030-V1090 HydrophobicContact CB-CG2 4.47Å; L1030-V1090 HydrophobicContact CD2-CG2 3.9Å; K1086-V1090 PolarHBondContact O-N 3.46Å; F1087-V1090 VanDerWaalsContact O-CB 3.32Å; F1087-V1090 WeakPolarHBondContact O-CB 3.21Å; F1087-V1090 PolarHBondContact O-N 2.71Å; V1088-V1090 PolarHBondContact O-N 2.75Å; V1090-G1093 PolarHBondContact O-N 3.27Å; V1090-V1094 PolarHBondContact O-N 3.11Å; V1090-F1138 HydrophobicContact CB-CE1 3.91Å; V1090-F1138 HydrophobicContact CB-CE2 4.4Å; V1090-F1138 HydrophobicContact CB-CZ 3.81Å; V1090-F1138 HydrophobicContact CG1-CD1 4.02Å; V1090-F1138 HydrophobicContact CG1-CD2 4.39Å; V1090-F1138 HydrophobicContact CG1-CE1 3.83Å; V1090-F1138 HydrophobicContact CG1-CE2 4.24Å; V1090-F1138 HydrophobicContact CG1-CG 4.29Å; V1090-F1138 HydrophobicContact CG1-CZ 3.95Å; V1090-F1138 HydrophobicContact CG2-CE1 4.44Å; V1090-F1138 HydrophobicContact CG2-CE2 4.11Å; V1090-F1138 HydrophobicContact CG2-CZ 3.83Å
1091	L	89.3	Confident	86	Confident	1 Å²	1	38 Å²	38	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-65.1	-42.9	173.2	178.7	58	0	0	0	111.7	F1087 V1088 G1093 V1094 L1095 Y1135 I1171	F1087-L1091 PolarHBondContact O-N 2.96Å; V1088-L1091 CarbonylContact O-C 3.47Å; V1088-L1091 WeakPolarHBondContact O-CA 3.44Å; V1088-L1091 WeakPolarHBondContact O-CB 3.45Å; V1088-L1091 PolarHBondContact O-N 3.18Å; L1091-G1093 VanDerWaalsContact C-N 3.28Å; L1091-G1093 PolarHBondContact O-N 2.91Å; L1091-V1094 CarbonylContact O-C 3.59Å; L1091-V1094 WeakPolarHBondContact O-CA 3.49Å; L1091-V1094 WeakPolarHBondContact O-CB 3.45Å; L1091-V1094 PolarHBondContact O-N 3.05Å; L1091-L1095 HydrophobicContact CD1-CD1 4.18Å; L1091-L1095 HydrophobicContact CD1-CG 4.19Å; L1091-L1095 HydrophobicContact CG-CD1 3.96Å; L1091-L1095 HydrophobicContact CG-CG 4.42Å; L1091-L1095 WeakPolarHBondContact O-CB 3.34Å; L1091-L1095 VanDerWaalsContact O-CG 3.32Å; L1091-L1095 WeakPolarHBondContact O-CG 3.28Å; L1091-L1095 PolarHBondContact O-N 3.43Å; L1091-Y1135 HydrophobicContact CB-CE2 3.73Å; L1091-Y1135 HydrophobicContact CD1-CD2 4.46Å; L1091-Y1135 HydrophobicContact CD1-CE1 4.07Å; L1091-Y1135 HydrophobicContact CD1-CE2 3.99Å; L1091-Y1135 HydrophobicContact CG-CE2 4.39Å; L1091-I1171 HydrophobicContact CD1-CD1 4.47Å; L1091-I1171 HydrophobicContact CD1-CG1 4.46Å; L1091-I1171 HydrophobicContact CD2-CD1 4.18Å; L1091-I1171 HydrophobicContact CD2-CG1 4.11Å
1092	E	88	Confident	85.1	Confident	99 Å²	99	36.4 Å²	36.4	46%	0.463	19%	0.192	S	C	.	.	H	α-helix	trans	-58	-41.1	171	-68.2	173	161.1	0	0	111.4	V1088 S1089 V1094 L1095 S1096 V1170	V1088-E1092 HydrophobicContact CG1-CG 4.41Å; V1088-E1092 WeakPolarHBondContact O-CG 3.37Å; V1088-E1092 PolarHBondContact O-N 2.99Å; S1089-E1092 WeakPolarHBondContact CA-OE2 3.23Å; E1092-V1094 VanDerWaalsContact C-N 3.29Å; E1092-V1094 PolarHBondContact O-N 2.98Å; E1092-L1095 PolarHBondContact O-N 3.09Å; E1092-S1096 VanDerWaalsContact O-CB 3.24Å; E1092-S1096 WeakPolarHBondContact O-CB 3.23Å; E1092-S1096 PolarHBondContact O-N 3.19Å; E1092-V1170 HydrophobicContact CG-CG1 3.84Å
1093	G	85.9	Confident	83.6	Confident	28 Å²	28	39.5 Å²	39.5	29%	0.289	21%	0.205	S	C	.	.	H	α-helix	trans	-65	-27.7	173.5	0	0	0	0	0	114.4	S1089 V1090 L1091 K1097	S1089-G1093 PolarHBondContact O-N 2.77Å; S1089-G1093 VanDerWaalsContact O-N 3.09Å; V1090-G1093 PolarHBondContact O-N 3.27Å; L1091-G1093 VanDerWaalsContact C-N 3.28Å; L1091-G1093 PolarHBondContact O-N 2.91Å; G1093-K1097 WeakPolarHBondContact O-CD 3.36Å; G1093-K1097 WeakPolarHBondContact O-CG 3.28Å; G1093-K1097 PolarHBondContact O-N 3.37Å
1094	V	85.1	Confident	82	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-75.7	-46.5	170.9	159.5	0	0	0	0	110.7	T1028 V1090 L1091 E1092 S1096 K1097 L1098 L1131 Y1135 I1194	T1028-V1094 HydrophobicContact CG2-CG2 3.94Å; V1090-V1094 PolarHBondContact O-N 3.11Å; L1091-V1094 CarbonylContact O-C 3.59Å; L1091-V1094 WeakPolarHBondContact O-CA 3.49Å; L1091-V1094 WeakPolarHBondContact O-CB 3.45Å; L1091-V1094 PolarHBondContact O-N 3.05Å; E1092-V1094 VanDerWaalsContact C-N 3.29Å; E1092-V1094 PolarHBondContact O-N 2.98Å; V1094-S1096 VanDerWaalsContact C-N 3.31Å; V1094-S1096 PolarHBondContact O-N 2.84Å; V1094-K1097 WeakPolarHBondContact O-CB 3.47Å; V1094-K1097 PolarHBondContact O-N 3.12Å; V1094-L1098 HydrophobicContact CG1-CD1 3.98Å; V1094-L1098 PolarHBondContact O-N 2.84Å; V1094-L1131 HydrophobicContact CG1-CD2 3.97Å; V1094-L1131 HydrophobicContact CG1-CG 3.95Å; V1094-L1131 HydrophobicContact CG2-CD1 4.21Å; V1094-L1131 HydrophobicContact CG2-CG 4.37Å; V1094-Y1135 HydrophobicContact CG2-CD2 4.08Å; V1094-I1194 HydrophobicContact CG1-CD1 3.96Å
1095	L	85.7	Confident	80.3	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-31.4	178.2	-69.1	170.5	0	0	0	112.8	L1091 E1092 L1098 S1099 V1170 I1171 W1174 L1191	L1091-L1095 HydrophobicContact CD1-CD1 4.18Å; L1091-L1095 HydrophobicContact CD1-CG 4.19Å; L1091-L1095 HydrophobicContact CG-CD1 3.96Å; L1091-L1095 HydrophobicContact CG-CG 4.42Å; L1091-L1095 WeakPolarHBondContact O-CB 3.34Å; L1091-L1095 VanDerWaalsContact O-CG 3.32Å; L1091-L1095 WeakPolarHBondContact O-CG 3.28Å; L1091-L1095 PolarHBondContact O-N 3.43Å; E1092-L1095 PolarHBondContact O-N 3.09Å; L1095-L1098 HydrophobicContact CD2-CD1 4.08Å; L1095-L1098 WeakPolarHBondContact O-CB 3.48Å; L1095-L1098 PolarHBondContact O-N 2.92Å; L1095-S1099 PolarHBondContact O-N 3.38Å; L1095-V1170 HydrophobicContact CD1-CG1 3.71Å; L1095-I1171 HydrophobicContact CD1-CG1 4.31Å; L1095-W1174 HydrophobicContact CB-CG 4.17Å; L1095-W1174 HydrophobicContact CD1-CB 4.19Å; L1095-W1174 HydrophobicContact CD1-CG 4.29Å; L1095-W1174 HydrophobicContact CD2-CD2 4.02Å; L1095-W1174 HydrophobicContact CD2-CE3 4.46Å; L1095-W1174 HydrophobicContact CD2-CG 4.07Å; L1095-W1174 HydrophobicContact CG-CG 4.41Å; L1095-W1174 PolarHBondContact O-NE1 2.92Å; L1095-W1174 VanDerWaalsContact O-NE1 3.12Å; L1095-L1191 HydrophobicContact CD2-CD2 3.68Å
1096	S	83.9	Confident	78.2	Confident	72 Å²	72	50.3 Å²	50.3	50%	0.503	27%	0.269	S	S	.	.	H	α-helix	trans	-74.2	-22.4	172	-177.6	0	0	0	0	113.6	E1092 V1094 S1099	E1092-S1096 VanDerWaalsContact O-CB 3.24Å; E1092-S1096 WeakPolarHBondContact O-CB 3.23Å; E1092-S1096 PolarHBondContact O-N 3.19Å; V1094-S1096 VanDerWaalsContact C-N 3.31Å; V1094-S1096 PolarHBondContact O-N 2.84Å; S1096-S1099 PolarHBondContact O-OG 3.34Å
1097	K	81.7	Confident	76.2	Confident	86 Å²	86	55.6 Å²	55.6	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-76.6	-35.3	165.7	-69.3	165.6	-176.3	178.1	0	110.7	G1093 V1094 R1100 L1131	G1093-K1097 WeakPolarHBondContact O-CD 3.36Å; G1093-K1097 WeakPolarHBondContact O-CG 3.28Å; G1093-K1097 PolarHBondContact O-N 3.37Å; V1094-K1097 WeakPolarHBondContact O-CB 3.47Å; V1094-K1097 PolarHBondContact O-N 3.12Å; K1097-R1100 WeakPolarHBondContact O-CB 3.31Å; K1097-R1100 WeakPolarHBondContact O-CG 3.39Å; K1097-R1100 PolarHBondContact O-N 2.84Å; K1097-L1131 HydrophobicContact CB-CD2 3.89Å; K1097-L1131 HydrophobicContact CD-CD1 3.92Å; K1097-L1131 HydrophobicContact CD-CD2 4.45Å
1098	L	79.4	Confident	74	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69.1	-36	176.9	-76.8	157.1	0	0	0	113.4	V1094 L1095 R1100 Y1101 L1131 W1174 Y1186 Q1187 T1190 L1191	V1094-L1098 HydrophobicContact CG1-CD1 3.98Å; V1094-L1098 PolarHBondContact O-N 2.84Å; L1095-L1098 HydrophobicContact CD2-CD1 4.08Å; L1095-L1098 WeakPolarHBondContact O-CB 3.48Å; L1095-L1098 PolarHBondContact O-N 2.92Å; L1098-R1100 PolarHBondContact O-N 3.43Å; L1098-Y1101 WeakPolarHBondContact O-CD2 3.21Å; L1098-Y1101 PolarHBondContact O-N 2.99Å; L1098-Y1101 VanDerWaalsContact O-N 3.11Å; L1098-L1131 HydrophobicContact CD1-CD2 4.32Å; L1098-L1131 HydrophobicContact CD2-CD2 4.46Å; L1098-L1131 HydrophobicContact CG-CD2 3.92Å; L1098-W1174 HydrophobicContact CB-CZ2 4.05Å; L1098-Y1186 HydrophobicContact CD2-CE1 4.45Å; L1098-Q1187 HydrophobicContact CD2-CB 4.34Å; L1098-Q1187 HydrophobicContact CD2-CG 4.31Å; L1098-Q1187 PolarHBondContact O-NE2 3.49Å; L1098-T1190 HydrophobicContact CD1-CG2 4.02Å; L1098-T1190 HydrophobicContact CD2-CG2 3.91Å; L1098-T1190 HydrophobicContact CG-CG2 4.48Å; L1098-L1191 HydrophobicContact CD1-CD2 4.39Å
1099	S	77.8	Confident	71.9	Confident	30 Å²	30	60.4 Å²	60.4	21%	0.21	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-65.7	-8.7	177.2	63.3	0	0	0	0	114.2	L1095 S1096 Y1101 D1102 R1178	L1095-S1099 PolarHBondContact O-N 3.38Å; S1096-S1099 PolarHBondContact O-OG 3.34Å; S1099-Y1101 PolarHBondContact O-N 3.16Å; S1099-D1102 WeakPolarHBondContact CA-OD2 2.96Å; S1099-D1102 VanDerWaalsContact CB-OD2 3.29Å; S1099-D1102 WeakPolarHBondContact CB-OD2 3.4Å; S1099-D1102 WeakPolarHBondContact O-CB 3.37Å; S1099-D1102 PolarHBondContact O-N 3.08Å; S1099-D1102 VanDerWaalsContact O-OD2 3.14Å; S1099-R1178 VanDerWaalsContact CB-NH2 3.33Å
1100	R	73.9	Confident	70	Confident	160 Å²	160	64 Å²	64	60%	0.604	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-70.2	-9.4	171.4	-58.8	179.3	179.8	-159.5	-3.6	113.6	K1097 L1098	K1097-R1100 WeakPolarHBondContact O-CB 3.31Å; K1097-R1100 WeakPolarHBondContact O-CG 3.39Å; K1097-R1100 PolarHBondContact O-N 2.84Å; L1098-R1100 PolarHBondContact O-N 3.43Å
1101	Y	70.1	Confident	68.1	Low	64 Å²	64	67.1 Å²	67.1	25%	0.251	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-105.5	5.2	176.9	-59.5	-90.6	0	0	0	112.5	L1098 S1099 L1111 H1184 Y1186	L1098-Y1101 WeakPolarHBondContact O-CD2 3.21Å; L1098-Y1101 PolarHBondContact O-N 2.99Å; L1098-Y1101 VanDerWaalsContact O-N 3.11Å; S1099-Y1101 PolarHBondContact O-N 3.16Å; Y1101-L1111 HydrophobicContact CD1-CD1 4.46Å; Y1101-L1111 HydrophobicContact CE1-CD1 4.03Å; Y1101-H1184 AromaticContact CD1-CE1 3.95Å; Y1101-H1184 AromaticContact CD1-ND1 3.91Å; Y1101-H1184 WeakPolarHBondContact O-CB 3.37Å; Y1101-Y1186 HydrophobicContact CD1-CD1 4.31Å; Y1101-Y1186 HydrophobicContact CD2-CD1 4.01Å; Y1101-Y1186 HydrophobicContact CD2-CE1 4.38Å; Y1101-Y1186 HydrophobicContact CE1-CD1 4.05Å; Y1101-Y1186 AromaticContact CE2-CD1 3.74Å; Y1101-Y1186 HydrophobicContact CE2-CD1 3.74Å; Y1101-Y1186 AromaticContact CE2-CE1 3.73Å; Y1101-Y1186 HydrophobicContact CE2-CE1 3.73Å; Y1101-Y1186 HydrophobicContact CG-CD1 4.3Å; Y1101-Y1186 AromaticContact CZ-CD1 3.76Å; Y1101-Y1186 AromaticContact CZ-CE1 3.81Å
1102	D	72	Confident	66	Low	21 Å²	21	71.6 Å²	71.6	11%	0.112	39%	0.391	C	S	.	.			trans	-62.7	136.6	175.4	-65	-21.7	0	0	0	110.4	S1099 T1105 R1178 Q1187	S1099-D1102 WeakPolarHBondContact CA-OD2 2.96Å; S1099-D1102 VanDerWaalsContact CB-OD2 3.29Å; S1099-D1102 WeakPolarHBondContact CB-OD2 3.4Å; S1099-D1102 WeakPolarHBondContact O-CB 3.37Å; S1099-D1102 PolarHBondContact O-N 3.08Å; S1099-D1102 VanDerWaalsContact O-OD2 3.14Å; D1102-T1105 HydrophobicContact CB-CG2 4.15Å; D1102-T1105 WeakPolarHBondContact O-CG2 3.41Å; D1102-T1105 PolarHBondContact O-N 2.95Å; D1102-T1105 PolarHBondContact O-OG1 2.78Å; D1102-R1178 IonicContact OD1-CZ 3.66Å; D1102-R1178 IonicContact OD1-NE 2.7Å; D1102-R1178 PolarHBondContact OD1-NE 3.36Å; D1102-R1178 IonicContact OD1-NH2 3.78Å; D1102-R1178 IonicContact OD2-CZ 3.41Å; D1102-R1178 IonicContact OD2-NE 3.27Å; D1102-R1178 PolarHBondContact OD2-NE 3.18Å; D1102-R1178 IonicContact OD2-NH2 2.7Å; D1102-R1178 PolarHBondContact OD2-NH2 3.46Å; D1102-Q1187 PolarHBondContact OD1-NE2 3.25Å
1103	E	59.3	Low	63.6	Low	127 Å²	127	74.9 Å²	74.9	59%	0.593	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	147.2	178.9	-62.1	-152.9	143.2	0	0	112	T1105	E1103-T1105 VanDerWaalsContact C-N 3.3Å; E1103-T1105 PolarHBondContact O-N 3.03Å
1104	G	57	Low	61.6	Low	81 Å²	81	76.6 Å²	76.6	84%	0.835	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-9.1	-172.4	0	0	0	0	0	115.5
1105	T	54.6	Low	59.7	Low	48 Å²	48	80.9 Å²	80.9	29%	0.294	44%	0.435	S	S	.	.	S	Bend	trans	-79.6	143.7	172.5	65.5	0	0	0	0	112.3	D1102 E1103 F1107 S1108	D1102-T1105 HydrophobicContact CB-CG2 4.15Å; D1102-T1105 WeakPolarHBondContact O-CG2 3.41Å; D1102-T1105 PolarHBondContact O-N 2.95Å; D1102-T1105 PolarHBondContact O-OG1 2.78Å; E1103-T1105 VanDerWaalsContact C-N 3.3Å; E1103-T1105 PolarHBondContact O-N 3.03Å; T1105-F1107 PolarHBondContact O-N 3.42Å; T1105-S1108 PolarHBondContact O-N 3.17Å; T1105-S1108 VanDerWaalsContact O-N 3.14Å; T1105-S1108 PolarHBondContact O-OG 2.83Å; T1105-S1108 VanDerWaalsContact O-OG 3.09Å
1106	F	47.5	Very low	57.6	Low	183 Å²	183	90.2 Å²	90.2	80%	0.803	48%	0.476	S	S	*	.	H	α-helix	trans	-54.1	-21.8	179.7	-100.8	-85.2	0	0	0	114.7	I1110	F1106-I1110 WeakPolarHBondContact O-CD1 3.39Å; F1106-I1110 WeakPolarHBondContact O-CG1 3.45Å
1107	F	47.4	Very low	55.6	Low	133 Å²	133	90.2 Å²	90.2	58%	0.583	48%	0.48	S	S	*	.	H	α-helix	trans	-86.1	-27.8	-178.2	-74.3	-80	0	0	0	114.1	T1105 S1109 I1110 L1111	T1105-F1107 PolarHBondContact O-N 3.42Å; F1107-S1109 VanDerWaalsContact C-N 3.35Å; F1107-S1109 PolarHBondContact O-N 2.99Å; F1107-I1110 PolarHBondContact O-N 2.82Å; F1107-L1111 WeakPolarHBondContact O-CB 3.48Å; F1107-L1111 PolarHBondContact O-N 3.38Å
1108	S	44.8	Very low	53.7	Low	32 Å²	32	88.5 Å²	88.5	22%	0.224	48%	0.482	C	S	.	.	H	α-helix	trans	-64.6	-41.6	-179.9	68.5	0	0	0	0	111.3	T1105 I1110 S1112	T1105-S1108 PolarHBondContact O-N 3.17Å; T1105-S1108 VanDerWaalsContact O-N 3.14Å; T1105-S1108 PolarHBondContact O-OG 2.83Å; T1105-S1108 VanDerWaalsContact O-OG 3.09Å; S1108-I1110 PolarHBondContact O-N 3.2Å; S1108-S1112 WeakPolarHBondContact O-CB 3.43Å; S1108-S1112 PolarHBondContact O-N 3.01Å
1109	S	48.3	Very low	51.9	Low	83 Å²	83	92.9 Å²	92.9	58%	0.58	52%	0.518	S	S	*	.	H	α-helix	trans	-61.7	-41.9	175.6	-40.1	0	0	0	0	112.4	F1107 F1113	F1107-S1109 VanDerWaalsContact C-N 3.35Å; F1107-S1109 PolarHBondContact O-N 2.99Å; S1109-F1113 WeakPolarHBondContact O-CB 3.21Å; S1109-F1113 PolarHBondContact O-N 2.79Å
1110	I	49.3	Very low	50.3	Low	90 Å²	90	99.4 Å²	99.4	46%	0.462	54%	0.543	S	S	.	.	H	α-helix	trans	-73.3	-42.2	-177.6	-64.8	173.6	0	0	0	111	F1106 F1107 S1108 F1113 T1114	F1106-I1110 WeakPolarHBondContact O-CD1 3.39Å; F1106-I1110 WeakPolarHBondContact O-CG1 3.45Å; F1107-I1110 PolarHBondContact O-N 2.82Å; S1108-I1110 PolarHBondContact O-N 3.2Å; I1110-F1113 PolarHBondContact O-N 2.98Å; I1110-T1114 HydrophobicContact CG2-CG2 4.08Å; I1110-T1114 WeakPolarHBondContact O-CB 3.31Å; I1110-T1114 WeakPolarHBondContact O-CG2 3.16Å; I1110-T1114 PolarHBondContact O-N 3.27Å; I1110-T1114 PolarHBondContact O-OG1 2.87Å
1111	L	49.3	Very low	48.8	Very low	68 Å²	68	101.8 Å²	101.8	36%	0.356	55%	0.553	S	S	.	*	H	α-helix	trans	-67.2	-43.1	179.2	-77.4	164.2	0	0	0	112	Y1101 F1107 F1113 T1114 V1115	Y1101-L1111 HydrophobicContact CD1-CD1 4.46Å; Y1101-L1111 HydrophobicContact CE1-CD1 4.03Å; F1107-L1111 WeakPolarHBondContact O-CB 3.48Å; F1107-L1111 PolarHBondContact O-N 3.38Å; L1111-F1113 VanDerWaalsContact C-N 3.29Å; L1111-F1113 PolarHBondContact O-N 3.39Å; L1111-T1114 PolarHBondContact O-N 2.9Å; L1111-V1115 VanDerWaalsContact O-CG2 3.27Å; L1111-V1115 WeakPolarHBondContact O-CG2 2.98Å; L1111-V1115 PolarHBondContact O-N 2.87Å
1112	S	44.3	Very low	47.2	Very low	94 Å²	94	104 Å²	104	66%	0.657	57%	0.574	S	S	*	*	H	α-helix	trans	-59.2	-39.6	175.9	-175.1	0	0	0	0	112.3	S1108	S1108-S1112 WeakPolarHBondContact O-CB 3.43Å; S1108-S1112 PolarHBondContact O-N 3.01Å
1113	F	38.7	Very low	45.7	Very low	169 Å²	169	111.1 Å²	111.1	74%	0.741	61%	0.611	S	S	*	*	H	α-helix	trans	-79.6	-39.7	-179.2	-151.9	-94.7	0	0	0	113.6	S1109 I1110 L1111	S1109-F1113 WeakPolarHBondContact O-CB 3.21Å; S1109-F1113 PolarHBondContact O-N 2.79Å; I1110-F1113 PolarHBondContact O-N 2.98Å; L1111-F1113 VanDerWaalsContact C-N 3.29Å; L1111-F1113 PolarHBondContact O-N 3.39Å
1114	T	44.3	Very low	44.5	Very low	63 Å²	63	109 Å²	109	39%	0.387	61%	0.607	S	S	.	*	H	α-helix	trans	-77	-32.1	-174.2	50.6	0	0	0	0	113.7	I1110 L1111 K1116 A1117 A1118	I1110-T1114 HydrophobicContact CG2-CG2 4.08Å; I1110-T1114 WeakPolarHBondContact O-CB 3.31Å; I1110-T1114 WeakPolarHBondContact O-CG2 3.16Å; I1110-T1114 PolarHBondContact O-N 3.27Å; I1110-T1114 PolarHBondContact O-OG1 2.87Å; L1111-T1114 PolarHBondContact O-N 2.9Å; T1114-K1116 VanDerWaalsContact C-N 3.26Å; T1114-K1116 PolarHBondContact O-N 3.22Å; T1114-A1117 PolarHBondContact O-N 3.47Å; T1114-A1118 WeakPolarHBondContact O-CB 3.08Å; T1114-A1118 PolarHBondContact O-N 3.24Å
1115	V	43.6	Very low	43.3	Very low	91 Å²	91	110.6 Å²	110.6	55%	0.552	60%	0.603	S	S	*	*	H	α-helix	trans	-61.6	-32.4	179.8	169.1	0	0	0	0	112.4	L1111	L1111-V1115 VanDerWaalsContact O-CG2 3.27Å; L1111-V1115 WeakPolarHBondContact O-CG2 2.98Å; L1111-V1115 PolarHBondContact O-N 2.87Å
1116	K	42.3	Very low	42.3	Very low	199 Å²	199	117.2 Å²	117.2	87%	0.865	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-13.1	175.5	-80.4	177.9	176.8	168	0	114.6	T1114	T1114-K1116 VanDerWaalsContact C-N 3.26Å; T1114-K1116 PolarHBondContact O-N 3.22Å
1117	A	41.6	Very low	42	Very low	73 Å²	73	114.5 Å²	114.5	60%	0.603	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	-35.8	-173.2	0	0	0	0	0	114.4	T1114	T1114-A1117 PolarHBondContact O-N 3.47Å
1118	A	42.2	Very low	41.9	Very low	49 Å²	49	111.1 Å²	111.1	41%	0.405	63%	0.63	S	S	.	*	S	Bend	trans	-80.8	-19.3	-171.2	0	0	0	0	0	114.7	T1114 K1120	T1114-A1118 WeakPolarHBondContact O-CB 3.08Å; T1114-A1118 PolarHBondContact O-N 3.24Å; A1118-K1120 PolarHBondContact O-N 3.19Å
1119	A	42.4	Very low	42.2	Very low	93 Å²	93	117.2 Å²	117.2	77%	0.769	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	27.2	-168.4	0	0	0	0	0	116.2
1120	K	42.6	Very low	43.3	Very low	167 Å²	167	115.5 Å²	115.5	73%	0.726	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.3	-14.7	-175.7	-151.7	169.9	-173.6	176.3	0	116.3	A1118	A1118-K1120 PolarHBondContact O-N 3.19Å
1121	Y	43.5	Very low	44.6	Very low	210 Å²	210	112.4 Å²	112.4	82%	0.824	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.6	0.3	-172.6	-74.4	-65.6	0	0	0	117.5
1122	V	35.6	Very low	46.1	Very low	111 Å²	111	109.1 Å²	109.1	67%	0.673	61%	0.609	S	S	*	*	S	Bend	trans	-138.3	141.4	169.6	-179.8	0	0	0	0	108.4	V1124	V1122-V1124 HydrophobicContact CB-CG2 4.06Å; V1122-V1124 HydrophobicContact CG1-CG2 4.03Å; V1122-V1124 PolarHBondContact O-N 2.74Å
1123	D	40.2	Very low	47.9	Very low	169 Å²	169	108 Å²	108	90%	0.904	60%	0.595	S	S	*	*			trans	-76.7	69	174.8	-154.9	2	0	0	0	110.1
1124	V	34.4	Very low	50	Low	84 Å²	84	102.2 Å²	102.2	51%	0.509	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-71.8	127.4	176.6	179.9	0	0	0	0	107.8	V1122 K1126	V1122-V1124 HydrophobicContact CB-CG2 4.06Å; V1122-V1124 HydrophobicContact CG1-CG2 4.03Å; V1122-V1124 PolarHBondContact O-N 2.74Å; V1124-K1126 PolarHBondContact O-N 2.86Å
1125	P	32.8	Very low	52.1	Low	114 Å²	114	99.3 Å²	99.3	74%	0.74	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-56.7	126.3	179.9	22.9	-33.4	0	0	0	110
1126	K	33.3	Very low	54.3	Low	187 Å²	187	95.4 Å²	95.4	81%	0.813	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-50.8	143.5	-177.2	-63.5	173.8	-178	173.2	0	110.5	V1124 G1128	V1124-K1126 PolarHBondContact O-N 2.86Å; K1126-G1128 PolarHBondContact O-N 2.9Å
1127	P	40.5	Very low	56.4	Low	125 Å²	125	90.9 Å²	90.9	81%	0.812	52%	0.515	S	S	*	.	S	Bend	trans	-68.1	77.6	165.4	30.1	-33.9	0	0	0	109.1
1128	G	45.6	Very low	58.8	Low	62 Å²	62	87.4 Å²	87.4	64%	0.639	49%	0.487	S	S	*	.			trans	-160.2	18.3	-163	0	0	0	0	0	114.2	K1126	K1126-G1128 PolarHBondContact O-N 2.9Å
1129	M	51.6	Low	61.1	Low	161 Å²	161	85.1 Å²	85.1	79%	0.793	47%	0.467	S	S	*	.			trans	-84	102.1	145.3	-86.7	-177.1	-87.4	0	0	106.2	L1131	M1129-L1131 PolarHBondContact O-N 3.02Å; M1129-L1131 VanDerWaalsContact O-N 3.14Å
1130	D	71.4	Confident	63.4	Low	47 Å²	47	85.6 Å²	85.6	25%	0.251	45%	0.449	S	S	.	.			trans	-69.6	111.5	174.3	-169.5	-24	0	0	0	108.6	A1132 D1133 T1134 K1193	D1130-A1132 PolarHBondContact O-N 3.21Å; D1130-A1132 WeakPolarHBondContact OD1-CA 3.28Å; D1130-A1132 VanDerWaalsContact OD1-CB 3.25Å; D1130-A1132 WeakPolarHBondContact OD1-CB 3.48Å; D1130-A1132 PolarHBondContact OD1-N 2.8Å; D1130-D1133 HydrophobicContact CB-CB 4.17Å; D1130-D1133 PolarHBondContact O-N 2.83Å; D1130-T1134 PolarHBondContact O-N 2.87Å; D1130-T1134 PolarHBondContact O-OG1 3.48Å; D1130-K1193 IonicContact OD2-NZ 2.7Å; D1130-K1193 PolarHBondContact OD2-NZ 3.04Å
1131	L	76.8	Confident	65.7	Low	24 Å²	24	81.2 Å²	81.2	13%	0.126	43%	0.431	C	S	.	.	H	α-helix	trans	-66.7	-24.5	-177.6	-168.9	67.1	0	0	0	111.4	V1094 K1097 L1098 M1129 Y1135 T1190	V1094-L1131 HydrophobicContact CG1-CD2 3.97Å; V1094-L1131 HydrophobicContact CG1-CG 3.95Å; V1094-L1131 HydrophobicContact CG2-CD1 4.21Å; V1094-L1131 HydrophobicContact CG2-CG 4.37Å; K1097-L1131 HydrophobicContact CB-CD2 3.89Å; K1097-L1131 HydrophobicContact CD-CD1 3.92Å; K1097-L1131 HydrophobicContact CD-CD2 4.45Å; L1098-L1131 HydrophobicContact CD1-CD2 4.32Å; L1098-L1131 HydrophobicContact CD2-CD2 4.46Å; L1098-L1131 HydrophobicContact CG-CD2 3.92Å; M1129-L1131 PolarHBondContact O-N 3.02Å; M1129-L1131 VanDerWaalsContact O-N 3.14Å; L1131-Y1135 WeakPolarHBondContact O-CB 3.32Å; L1131-Y1135 PolarHBondContact O-N 2.83Å; L1131-T1190 HydrophobicContact CB-CG2 4.22Å
1132	A	79.5	Confident	68	Low	0 Å²	0	71.2 Å²	71.2	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-69.3	-52.4	170.6	0	0	0	0	0	110.9	D1130 T1134 Y1135 I1136 T1190 K1193 I1194	D1130-A1132 PolarHBondContact O-N 3.21Å; D1130-A1132 WeakPolarHBondContact OD1-CA 3.28Å; D1130-A1132 VanDerWaalsContact OD1-CB 3.25Å; D1130-A1132 WeakPolarHBondContact OD1-CB 3.48Å; D1130-A1132 PolarHBondContact OD1-N 2.8Å; A1132-T1134 VanDerWaalsContact C-N 3.26Å; A1132-T1134 PolarHBondContact O-N 2.94Å; A1132-Y1135 CarbonylContact O-C 3.57Å; A1132-Y1135 PolarHBondContact O-N 2.88Å; A1132-I1136 HydrophobicContact CB-CD1 4.19Å; A1132-I1136 WeakPolarHBondContact O-CB 3.41Å; A1132-I1136 WeakPolarHBondContact O-CD1 3.3Å; A1132-I1136 WeakPolarHBondContact O-CG1 3.42Å; A1132-I1136 PolarHBondContact O-N 3.35Å; A1132-T1190 HydrophobicContact CB-CG2 3.92Å; A1132-K1193 HydrophobicContact CB-CB 3.9Å; A1132-K1193 HydrophobicContact CB-CD 3.86Å; A1132-K1193 HydrophobicContact CB-CG 3.79Å; A1132-I1194 HydrophobicContact CB-CD1 4.37Å; A1132-I1194 HydrophobicContact CB-CG1 3.68Å
1133	D	82.1	Confident	70.6	Confident	69 Å²	69	66 Å²	66	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-59.9	-40.1	-179.6	-72.5	-34.4	0	0	0	111.5	D1130 Y1135 I1136 M1137 K1193	D1130-D1133 HydrophobicContact CB-CB 4.17Å; D1130-D1133 PolarHBondContact O-N 2.83Å; D1133-Y1135 VanDerWaalsContact C-N 3.28Å; D1133-Y1135 PolarHBondContact O-N 3.48Å; D1133-I1136 PolarHBondContact O-N 3.46Å; D1133-M1137 WeakPolarHBondContact O-CB 3.45Å; D1133-M1137 WeakPolarHBondContact O-CG 3.26Å; D1133-M1137 PolarHBondContact O-N 3.11Å; D1133-K1193 WeakPolarHBondContact OD1-CE 3.39Å; D1133-K1193 IonicContact OD1-NZ 2.88Å; D1133-K1193 PolarHBondContact OD1-NZ 3.04Å; D1133-K1193 IonicContact OD2-NZ 2.77Å; D1133-K1193 PolarHBondContact OD2-NZ 2.86Å
1134	T	84.3	Confident	73	Confident	49 Å²	49	61.9 Å²	61.9	30%	0.301	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-35.3	177.6	-42.5	0	0	0	0	111.7	T1028 D1130 A1132 F1138	T1028-T1134 HydrophobicContact CG2-CG2 4.25Å; T1028-T1134 WeakPolarHBondContact OG1-CG2 3.26Å; D1130-T1134 PolarHBondContact O-N 2.87Å; D1130-T1134 PolarHBondContact O-OG1 3.48Å; A1132-T1134 VanDerWaalsContact C-N 3.26Å; A1132-T1134 PolarHBondContact O-N 2.94Å; T1134-F1138 WeakPolarHBondContact O-CB 3.34Å; T1134-F1138 PolarHBondContact O-N 2.99Å
1135	Y	88.3	Confident	75.6	Confident	1 Å²	1	59.4 Å²	59.4	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-76.8	-38.7	174.1	-178.6	-99.5	0	0	0	112.9	L1091 V1094 L1131 A1132 D1133 F1138 V1139 I1194	L1091-Y1135 HydrophobicContact CB-CE2 3.73Å; L1091-Y1135 HydrophobicContact CD1-CD2 4.46Å; L1091-Y1135 HydrophobicContact CD1-CE1 4.07Å; L1091-Y1135 HydrophobicContact CD1-CE2 3.99Å; L1091-Y1135 HydrophobicContact CG-CE2 4.39Å; V1094-Y1135 HydrophobicContact CG2-CD2 4.08Å; L1131-Y1135 WeakPolarHBondContact O-CB 3.32Å; L1131-Y1135 PolarHBondContact O-N 2.83Å; A1132-Y1135 CarbonylContact O-C 3.57Å; A1132-Y1135 PolarHBondContact O-N 2.88Å; D1133-Y1135 VanDerWaalsContact C-N 3.28Å; D1133-Y1135 PolarHBondContact O-N 3.48Å; Y1135-F1138 AromaticContact CD2-CD1 3.75Å; Y1135-F1138 HydrophobicContact CD2-CD1 3.75Å; Y1135-F1138 HydrophobicContact CD2-CE1 4.27Å; Y1135-F1138 AromaticContact CE2-CD1 3.64Å; Y1135-F1138 HydrophobicContact CE2-CD1 3.64Å; Y1135-F1138 AromaticContact CE2-CE1 3.73Å; Y1135-F1138 HydrophobicContact CE2-CE1 3.73Å; Y1135-F1138 VanDerWaalsContact O-CB 3.29Å; Y1135-F1138 WeakPolarHBondContact O-CB 3.45Å; Y1135-F1138 PolarHBondContact O-N 2.8Å; Y1135-V1139 HydrophobicContact CD1-CG2 4.11Å; Y1135-V1139 HydrophobicContact CE1-CG2 3.52Å; Y1135-V1139 HydrophobicContact CE2-CG2 4.33Å; Y1135-V1139 WeakPolarHBondContact O-CG2 3.49Å; Y1135-V1139 PolarHBondContact O-N 2.83Å; Y1135-I1194 HydrophobicContact CD1-CD1 4.3Å; Y1135-I1194 HydrophobicContact CD1-CG1 4.19Å; Y1135-I1194 HydrophobicContact CD1-CG2 3.94Å; Y1135-I1194 HydrophobicContact CE1-CG2 4.03Å
1136	I	88.6	Confident	78.3	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.046	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-42.3	178.4	-68	157	0	0	0	110.5	A1132 D1133 F1138 V1139 R1140 K1193 K1197	A1132-I1136 HydrophobicContact CB-CD1 4.19Å; A1132-I1136 WeakPolarHBondContact O-CB 3.41Å; A1132-I1136 WeakPolarHBondContact O-CD1 3.3Å; A1132-I1136 WeakPolarHBondContact O-CG1 3.42Å; A1132-I1136 PolarHBondContact O-N 3.35Å; D1133-I1136 PolarHBondContact O-N 3.46Å; I1136-F1138 VanDerWaalsContact C-N 3.29Å; I1136-F1138 PolarHBondContact O-N 3.13Å; I1136-V1139 PolarHBondContact O-N 3.04Å; I1136-R1140 WeakPolarHBondContact O-CG 3.26Å; I1136-R1140 PolarHBondContact O-N 3.22Å; I1136-K1193 HydrophobicContact CD1-CG 4.14Å; I1136-K1197 HydrophobicContact CD1-CB 3.57Å; I1136-K1197 HydrophobicContact CD1-CG 3.83Å; I1136-K1197 HydrophobicContact CG1-CB 3.9Å; I1136-K1197 HydrophobicContact CG2-CB 4.23Å
1137	M	87.9	Confident	81	Confident	105 Å²	105	49.6 Å²	49.6	52%	0.517	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-36.1	171.7	-72.5	-176	70.5	0	0	112.4	D1133 Q1141	D1133-M1137 WeakPolarHBondContact O-CB 3.45Å; D1133-M1137 WeakPolarHBondContact O-CG 3.26Å; D1133-M1137 PolarHBondContact O-N 3.11Å; M1137-Q1141 VanDerWaalsContact O-CB 3.31Å; M1137-Q1141 WeakPolarHBondContact O-CB 3.38Å; M1137-Q1141 VanDerWaalsContact O-CG 3.31Å; M1137-Q1141 WeakPolarHBondContact O-CG 3.39Å; M1137-Q1141 PolarHBondContact O-N 2.94Å
1138	F	92.3	Very high	83.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-45.6	173.2	156.6	-100.6	0	0	0	112.2	T1028 L1030 F1087 V1090 T1134 Y1135 I1136 N1142 W1163	T1028-F1138 HydrophobicContact CG2-CB 4.41Å; T1028-F1138 WeakPolarHBondContact O-CB 3.29Å; L1030-F1138 HydrophobicContact CB-CD2 4.36Å; L1030-F1138 HydrophobicContact CB-CE2 3.91Å; L1030-F1138 HydrophobicContact CD2-CE2 4.1Å; L1030-F1138 HydrophobicContact CG-CE2 4.16Å; L1030-F1138 WeakPolarHBondContact O-CD2 3.48Å; F1087-F1138 HydrophobicContact CB-CZ 4.29Å; F1087-F1138 HydrophobicContact CD1-CE2 4.23Å; F1087-F1138 AromaticContact CD1-CZ 3.71Å; F1087-F1138 HydrophobicContact CD1-CZ 3.71Å; F1087-F1138 HydrophobicContact CE1-CZ 4.39Å; F1087-F1138 HydrophobicContact CG-CZ 4.37Å; V1090-F1138 HydrophobicContact CB-CE1 3.91Å; V1090-F1138 HydrophobicContact CB-CE2 4.4Å; V1090-F1138 HydrophobicContact CB-CZ 3.81Å; V1090-F1138 HydrophobicContact CG1-CD1 4.02Å; V1090-F1138 HydrophobicContact CG1-CD2 4.39Å; V1090-F1138 HydrophobicContact CG1-CE1 3.83Å; V1090-F1138 HydrophobicContact CG1-CE2 4.24Å; V1090-F1138 HydrophobicContact CG1-CG 4.29Å; V1090-F1138 HydrophobicContact CG1-CZ 3.95Å; V1090-F1138 HydrophobicContact CG2-CE1 4.44Å; V1090-F1138 HydrophobicContact CG2-CE2 4.11Å; V1090-F1138 HydrophobicContact CG2-CZ 3.83Å; T1134-F1138 WeakPolarHBondContact O-CB 3.34Å; T1134-F1138 PolarHBondContact O-N 2.99Å; Y1135-F1138 AromaticContact CD2-CD1 3.75Å; Y1135-F1138 HydrophobicContact CD2-CD1 3.75Å; Y1135-F1138 HydrophobicContact CD2-CE1 4.27Å; Y1135-F1138 AromaticContact CE2-CD1 3.64Å; Y1135-F1138 HydrophobicContact CE2-CD1 3.64Å; Y1135-F1138 AromaticContact CE2-CE1 3.73Å; Y1135-F1138 HydrophobicContact CE2-CE1 3.73Å; Y1135-F1138 VanDerWaalsContact O-CB 3.29Å; Y1135-F1138 WeakPolarHBondContact O-CB 3.45Å; Y1135-F1138 PolarHBondContact O-N 2.8Å; I1136-F1138 VanDerWaalsContact C-N 3.29Å; I1136-F1138 PolarHBondContact O-N 3.13Å; F1138-N1142 VanDerWaalsContact CD2-ND2 3.34Å; F1138-N1142 WeakPolarHBondContact CD2-ND2 3.4Å; F1138-N1142 WeakPolarHBondContact CE2-ND2 2.91Å; F1138-N1142 PolarHBondContact O-N 3.36Å; F1138-N1142 PolarHBondContact O-ND2 3.14Å; F1138-W1163 HydrophobicContact CE1-CZ2 4.16Å; F1138-W1163 HydrophobicContact CZ-CZ2 4.43Å
1139	V	90.6	Very high	85.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-58.7	176.8	168.4	0	0	0	0	109.8	Y1135 I1136 Q1141 N1142 Q1143 W1163 F1202	Y1135-V1139 HydrophobicContact CD1-CG2 4.11Å; Y1135-V1139 HydrophobicContact CE1-CG2 3.52Å; Y1135-V1139 HydrophobicContact CE2-CG2 4.33Å; Y1135-V1139 WeakPolarHBondContact O-CG2 3.49Å; Y1135-V1139 PolarHBondContact O-N 2.83Å; I1136-V1139 PolarHBondContact O-N 3.04Å; V1139-Q1141 PolarHBondContact O-N 2.93Å; V1139-N1142 PolarHBondContact O-N 3.42Å; V1139-Q1143 HydrophobicContact CG1-CG 4.32Å; V1139-Q1143 WeakPolarHBondContact O-CG 3.33Å; V1139-Q1143 PolarHBondContact O-N 3.17Å; V1139-W1163 HydrophobicContact CB-CH2 4.44Å; V1139-W1163 HydrophobicContact CB-CZ2 4.36Å; V1139-W1163 HydrophobicContact CG1-CH2 4.26Å; V1139-W1163 HydrophobicContact CG1-CZ2 4.36Å; V1139-W1163 HydrophobicContact CG2-CZ2 4Å; V1139-F1202 HydrophobicContact CG1-CD2 4.3Å; V1139-F1202 HydrophobicContact CG1-CE2 3.55Å; V1139-F1202 HydrophobicContact CG1-CZ 4.1Å
1140	R	90.6	Very high	86.9	Confident	103 Å²	103	43.7 Å²	43.7	39%	0.389	21%	0.208	S	C	.	.	H	α-helix	trans	-54.6	-55.5	-177.2	-68.9	169	177.4	-146.8	-13.2	112.2	I1136 N1142 Q1143 D1144 D1201	I1136-R1140 WeakPolarHBondContact O-CG 3.26Å; I1136-R1140 PolarHBondContact O-N 3.22Å; R1140-N1142 PolarHBondContact O-N 3.43Å; R1140-N1142 VanDerWaalsContact O-N 3.09Å; R1140-Q1143 WeakPolarHBondContact O-CA 3.43Å; R1140-Q1143 WeakPolarHBondContact O-CB 3.29Å; R1140-Q1143 PolarHBondContact O-N 3.47Å; R1140-D1144 PolarHBondContact O-N 3.27Å; R1140-D1144 VanDerWaalsContact O-OD2 3.11Å; R1140-D1201 IonicContact CZ-OD1 2.86Å; R1140-D1201 IonicContact CZ-OD2 3.16Å; R1140-D1201 IonicContact NE-OD1 2.72Å; R1140-D1201 PolarHBondContact NE-OD1 2.77Å; R1140-D1201 IonicContact NE-OD2 2.79Å; R1140-D1201 PolarHBondContact NE-OD2 3.23Å; R1140-D1201 IonicContact NH2-OD1 3.55Å; R1140-D1201 PolarHBondContact NH2-OD1 3.41Å; R1140-D1201 IonicContact NH2-OD2 2.68Å; R1140-D1201 PolarHBondContact NH2-OD2 2.69Å
1141	Q	90	Very high	87.4	Confident	75 Å²	75	45 Å²	45	35%	0.35	22%	0.215	S	C	.	.	H	α-helix	trans	-65.7	-19.2	-175.4	-68.4	-179.4	-9.1	0	0	113.8	M1137 V1139 I1145	M1137-Q1141 VanDerWaalsContact O-CB 3.31Å; M1137-Q1141 WeakPolarHBondContact O-CB 3.38Å; M1137-Q1141 VanDerWaalsContact O-CG 3.31Å; M1137-Q1141 WeakPolarHBondContact O-CG 3.39Å; M1137-Q1141 PolarHBondContact O-N 2.94Å; V1139-Q1141 PolarHBondContact O-N 2.93Å; Q1141-I1145 VanDerWaalsContact O-CD1 3.22Å; Q1141-I1145 WeakPolarHBondContact O-CD1 2.83Å; Q1141-I1145 WeakPolarHBondContact O-CG1 3.49Å; Q1141-I1145 PolarHBondContact O-N 3.42Å
1142	N	91.8	Very high	87.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-88.8	-31.8	170.5	-74.9	-81.3	0	0	0	112.7	L1030 R1031 I1032 F1087 F1138 V1139 R1140 L1146 W1163	L1030-N1142 PolarHBondContact O-ND2 2.77Å; R1031-N1142 WeakPolarHBondContact CA-OD1 3.12Å; I1032-N1142 PolarHBondContact N-OD1 2.86Å; F1087-N1142 HydrophobicContact CE1-CB 3.85Å; F1087-N1142 HydrophobicContact CZ-CB 3.85Å; F1138-N1142 VanDerWaalsContact CD2-ND2 3.34Å; F1138-N1142 WeakPolarHBondContact CD2-ND2 3.4Å; F1138-N1142 WeakPolarHBondContact CE2-ND2 2.91Å; F1138-N1142 PolarHBondContact O-N 3.36Å; F1138-N1142 PolarHBondContact O-ND2 3.14Å; V1139-N1142 PolarHBondContact O-N 3.42Å; R1140-N1142 PolarHBondContact O-N 3.43Å; R1140-N1142 VanDerWaalsContact O-N 3.09Å; N1142-L1146 WeakPolarHBondContact O-CB 3.48Å; N1142-L1146 WeakPolarHBondContact O-CD1 3.26Å; N1142-L1146 VanDerWaalsContact O-CG 3.29Å; N1142-L1146 WeakPolarHBondContact O-CG 3.17Å; N1142-L1146 PolarHBondContact O-N 3.28Å; N1142-W1163 HydrophobicContact CB-CH2 4.07Å
1143	Q	90.9	Very high	88	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.009	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-46.2	168.5	-68.8	170.4	-39.3	0	0	110.7	V1139 R1140 L1146 R1147 F1160 W1163 F1202 Q1205	V1139-Q1143 HydrophobicContact CG1-CG 4.32Å; V1139-Q1143 WeakPolarHBondContact O-CG 3.33Å; V1139-Q1143 PolarHBondContact O-N 3.17Å; R1140-Q1143 WeakPolarHBondContact O-CA 3.43Å; R1140-Q1143 WeakPolarHBondContact O-CB 3.29Å; R1140-Q1143 PolarHBondContact O-N 3.47Å; Q1143-L1146 PolarHBondContact O-N 3.09Å; Q1143-R1147 WeakPolarHBondContact O-CB 3.34Å; Q1143-R1147 PolarHBondContact O-N 3.47Å; Q1143-F1160 HydrophobicContact CB-CE1 4.18Å; Q1143-F1160 HydrophobicContact CB-CE2 4.47Å; Q1143-F1160 HydrophobicContact CB-CZ 3.79Å; Q1143-F1160 HydrophobicContact CG-CD1 4.46Å; Q1143-F1160 HydrophobicContact CG-CE1 3.87Å; Q1143-F1160 HydrophobicContact CG-CZ 3.9Å; Q1143-W1163 HydrophobicContact CG-CH2 4.21Å; Q1143-W1163 HydrophobicContact CG-CZ3 3.7Å; Q1143-F1202 VanDerWaalsContact NE2-CD1 3.34Å; Q1143-F1202 VanDerWaalsContact NE2-CE1 3.32Å; Q1143-Q1205 HydrophobicContact CB-CG 4.31Å; Q1143-Q1205 HydrophobicContact CG-CG 4.43Å
1144	D	89.8	Confident	88.2	Confident	83 Å²	83	52.1 Å²	52.1	44%	0.444	25%	0.247	S	C	.	.	H	α-helix	trans	-58.7	-50	177.9	-58	-31.7	0	0	0	111.3	R1140 L1146 R1147 E1148	R1140-D1144 PolarHBondContact O-N 3.27Å; R1140-D1144 VanDerWaalsContact O-OD2 3.11Å; D1144-L1146 VanDerWaalsContact C-N 3.31Å; D1144-L1146 PolarHBondContact O-N 2.89Å; D1144-R1147 PolarHBondContact O-N 2.92Å; D1144-E1148 VanDerWaalsContact O-CB 3.26Å; D1144-E1148 WeakPolarHBondContact O-CB 3.39Å; D1144-E1148 PolarHBondContact O-N 3.03Å
1145	I	89.8	Confident	88.3	Confident	32 Å²	32	50.9 Å²	50.9	16%	0.164	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-35.6	178.3	-72.1	169	0	0	0	112.3	R1031 I1032 Q1141 K1149	R1031-I1145 HydrophobicContact CB-CD1 4.15Å; I1032-I1145 HydrophobicContact CB-CG2 4.23Å; I1032-I1145 HydrophobicContact CG2-CG2 4.49Å; Q1141-I1145 VanDerWaalsContact O-CD1 3.22Å; Q1141-I1145 WeakPolarHBondContact O-CD1 2.83Å; Q1141-I1145 WeakPolarHBondContact O-CG1 3.49Å; Q1141-I1145 PolarHBondContact O-N 3.42Å; I1145-K1149 WeakPolarHBondContact O-CB 3.42Å; I1145-K1149 WeakPolarHBondContact O-CG 3.36Å; I1145-K1149 PolarHBondContact O-N 3.06Å
1146	L	89.9	Confident	88.3	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-70.7	-46.8	177	-78.3	164.8	0	0	0	111.3	I1032 L1083 F1087 N1142 Q1143 D1144 E1148 K1149 V1150 L1159 F1160	I1032-L1146 HydrophobicContact CD1-CD1 3.86Å; I1032-L1146 HydrophobicContact CD1-CD2 3.81Å; I1032-L1146 HydrophobicContact CD1-CG 3.83Å; L1083-L1146 HydrophobicContact CD2-CD2 4.17Å; F1087-L1146 HydrophobicContact CE2-CD1 4.01Å; F1087-L1146 HydrophobicContact CZ-CD1 3.89Å; N1142-L1146 WeakPolarHBondContact O-CB 3.48Å; N1142-L1146 WeakPolarHBondContact O-CD1 3.26Å; N1142-L1146 VanDerWaalsContact O-CG 3.29Å; N1142-L1146 WeakPolarHBondContact O-CG 3.17Å; N1142-L1146 PolarHBondContact O-N 3.28Å; Q1143-L1146 PolarHBondContact O-N 3.09Å; D1144-L1146 VanDerWaalsContact C-N 3.31Å; D1144-L1146 PolarHBondContact O-N 2.89Å; L1146-E1148 VanDerWaalsContact C-N 3.32Å; L1146-E1148 PolarHBondContact O-N 3.27Å; L1146-K1149 PolarHBondContact O-N 3.09Å; L1146-V1150 HydrophobicContact CD2-CG2 4.05Å; L1146-V1150 WeakPolarHBondContact O-CB 3.01Å; L1146-V1150 PolarHBondContact O-N 3.5Å; L1146-L1159 HydrophobicContact CD1-CD2 3.65Å; L1146-L1159 HydrophobicContact CD2-CD2 3.88Å; L1146-L1159 HydrophobicContact CG-CD2 4.33Å; L1146-F1160 HydrophobicContact CB-CE1 4.34Å; L1146-F1160 HydrophobicContact CB-CZ 4.33Å; L1146-F1160 HydrophobicContact CD1-CE1 3.95Å
1147	R	88.7	Confident	88.3	Confident	91 Å²	91	54.4 Å²	54.4	34%	0.343	25%	0.253	S	S	.	.	H	α-helix	trans	-68.5	-27.6	178.6	-178.3	171.9	-78.1	-71.1	3.7	113.2	Q1143 D1144 E1153 Q1205	Q1143-R1147 WeakPolarHBondContact O-CB 3.34Å; Q1143-R1147 PolarHBondContact O-N 3.47Å; D1144-R1147 PolarHBondContact O-N 2.92Å; R1147-E1153 IonicContact CZ-OE1 3.87Å; R1147-E1153 IonicContact CZ-OE2 2.71Å; R1147-E1153 IonicContact NH1-OE1 3.83Å; R1147-E1153 PolarHBondContact NH1-OE1 3.35Å; R1147-E1153 IonicContact NH1-OE2 2.99Å; R1147-E1153 PolarHBondContact NH1-OE2 3Å; R1147-E1153 IonicContact NH2-OE1 2.72Å; R1147-E1153 PolarHBondContact NH2-OE1 3.3Å; R1147-E1153 IonicContact NH2-OE2 3.24Å; R1147-Q1205 PolarHBondContact NH2-O 2.95Å
1148	E	86.9	Confident	88.3	Confident	138 Å²	138	53.2 Å²	53.2	65%	0.645	25%	0.245	S	C	*	.	H	α-helix	trans	-75	-29.4	173.7	-173.7	-164.4	173.7	0	0	112.7	D1144 L1146	D1144-E1148 VanDerWaalsContact O-CB 3.26Å; D1144-E1148 WeakPolarHBondContact O-CB 3.39Å; D1144-E1148 PolarHBondContact O-N 3.03Å; L1146-E1148 VanDerWaalsContact C-N 3.32Å; L1146-E1148 PolarHBondContact O-N 3.27Å
1149	K	87.3	Confident	88.2	Confident	74 Å²	74	53.4 Å²	53.4	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-129.3	0.6	-162.3	-52.9	-171.6	-170.9	-177.3	0	116.1	A1034 C1037 N1041 I1145 L1146	A1034-K1149 HydrophobicContact CB-CD 4.34Å; C1037-K1149 HydrophobicContact CB-CB 3.73Å; N1041-K1149 PolarHBondContact ND2-O 2.85Å; I1145-K1149 WeakPolarHBondContact O-CB 3.42Å; I1145-K1149 WeakPolarHBondContact O-CG 3.36Å; I1145-K1149 PolarHBondContact O-N 3.06Å; L1146-K1149 PolarHBondContact O-N 3.09Å
1150	V	87.6	Confident	88.4	Confident	12 Å²	12	53.4 Å²	53.4	7%	0.073	25%	0.246	C	C	.	.			trans	-104.9	127.5	171	174.8	0	0	0	0	109.2	C1037 F1040 N1041 L1146 E1152 I1156	C1037-V1150 HydrophobicContact CB-CG2 4.22Å; F1040-V1150 HydrophobicContact CD1-CG1 3.68Å; F1040-V1150 HydrophobicContact CD1-CG2 4.34Å; F1040-V1150 HydrophobicContact CE1-CG1 3.8Å; N1041-V1150 VanDerWaalsContact OD1-CA 3.28Å; N1041-V1150 WeakPolarHBondContact OD1-CA 3.22Å; L1146-V1150 HydrophobicContact CD2-CG2 4.05Å; L1146-V1150 WeakPolarHBondContact O-CB 3.01Å; L1146-V1150 PolarHBondContact O-N 3.5Å; V1150-E1152 VanDerWaalsContact C-N 3.34Å; V1150-E1152 PolarHBondContact O-N 3.16Å; V1150-I1156 HydrophobicContact CB-CD1 3.99Å; V1150-I1156 HydrophobicContact CB-CG1 3.92Å; V1150-I1156 HydrophobicContact CG1-CD1 4.2Å; V1150-I1156 HydrophobicContact CG1-CG1 3.86Å
1151	N	82.9	Confident	88.3	Confident	75 Å²	75	50.2 Å²	50.2	40%	0.401	24%	0.237	S	C	.	.	S	Bend	trans	-80.7	-7.6	-165.7	-68.9	10.6	0	0	0	114.7	N1041	N1041-N1151 PolarHBondContact ND2-OD1 2.9Å; N1041-N1151 VanDerWaalsContact ND2-OD1 3.09Å; N1041-N1151 PolarHBondContact OD1-N 2.76Å
1152	E	83.5	Confident	88.4	Confident	58 Å²	58	50.1 Å²	50.1	27%	0.271	24%	0.236	S	C	.	.			trans	-130	112.3	-176	-79.4	-63.6	156.5	0	0	112.6	V1044 K1048 V1150 M1154 Y1155 I1156	V1044-E1152 HydrophobicContact CG1-CB 3.87Å; V1044-E1152 HydrophobicContact CG1-CG 3.3Å; K1048-E1152 WeakPolarHBondContact CE-OE1 3.25Å; K1048-E1152 IonicContact NZ-OE1 3.16Å; K1048-E1152 PolarHBondContact NZ-OE1 3.19Å; V1150-E1152 VanDerWaalsContact C-N 3.34Å; V1150-E1152 PolarHBondContact O-N 3.16Å; E1152-M1154 VanDerWaalsContact C-N 3.31Å; E1152-M1154 PolarHBondContact O-N 3.43Å; E1152-Y1155 HydrophobicContact CB-CD2 3.87Å; E1152-Y1155 PolarHBondContact O-N 2.79Å; E1152-Y1155 VanDerWaalsContact O-N 3.17Å; E1152-I1156 PolarHBondContact O-N 2.84Å
1153	E	84.2	Confident	88.5	Confident	78 Å²	78	50.1 Å²	50.1	36%	0.364	24%	0.236	S	C	.	.	H	α-helix	trans	-54.3	-43.5	-179.3	-170.9	67.4	-167.8	0	0	112.4	R1147 Y1155 I1156 E1157	R1147-E1153 IonicContact CZ-OE1 3.87Å; R1147-E1153 IonicContact CZ-OE2 2.71Å; R1147-E1153 IonicContact NH1-OE1 3.83Å; R1147-E1153 PolarHBondContact NH1-OE1 3.35Å; R1147-E1153 IonicContact NH1-OE2 2.99Å; R1147-E1153 PolarHBondContact NH1-OE2 3Å; R1147-E1153 IonicContact NH2-OE1 2.72Å; R1147-E1153 PolarHBondContact NH2-OE1 3.3Å; R1147-E1153 IonicContact NH2-OE2 3.24Å; E1153-Y1155 PolarHBondContact O-N 2.83Å; E1153-I1156 WeakPolarHBondContact O-CA 3.47Å; E1153-I1156 WeakPolarHBondContact O-CB 3.31Å; E1153-I1156 PolarHBondContact O-N 2.97Å; E1153-E1157 HydrophobicContact CG-CG 4.36Å; E1153-E1157 WeakPolarHBondContact O-CG 3.29Å; E1153-E1157 PolarHBondContact O-N 2.9Å
1154	M	87.4	Confident	88.6	Confident	105 Å²	105	50 Å²	50	52%	0.517	24%	0.236	S	C	.	.	H	α-helix	trans	-61.1	-20.8	-177	-161.6	-136.6	-163.8	0	0	113.9	E1152 K1158	E1152-M1154 VanDerWaalsContact C-N 3.31Å; E1152-M1154 PolarHBondContact O-N 3.43Å; M1154-K1158 VanDerWaalsContact O-CD 3.24Å; M1154-K1158 WeakPolarHBondContact O-CD 3.49Å; M1154-K1158 WeakPolarHBondContact O-CE 3.42Å; M1154-K1158 VanDerWaalsContact O-CG 3.27Å; M1154-K1158 WeakPolarHBondContact O-CG 3.21Å; M1154-K1158 PolarHBondContact SD-NZ 3.33Å
1155	Y	86.6	Confident	88.6	Confident	23 Å²	23	48.3 Å²	48.3	9%	0.09	23%	0.231	C	C	.	.	H	α-helix	trans	-93.9	-27.1	174.2	-71	-72.3	0	0	0	112.4	F1040 V1044 K1047 D1073 V1076 I1080 E1152 E1153 K1158 L1159	F1040-Y1155 HydrophobicContact CE1-CG 4.32Å; F1040-Y1155 HydrophobicContact CZ-CG 4.49Å; V1044-Y1155 HydrophobicContact CG1-CD2 4.5Å; V1044-Y1155 HydrophobicContact CG1-CE2 4.48Å; V1044-Y1155 HydrophobicContact CG2-CD2 3.96Å; V1044-Y1155 HydrophobicContact CG2-CE2 4.17Å; K1047-Y1155 WeakPolarHBondContact CD-OH 3.46Å; D1073-Y1155 PolarHBondContact OD1-OH 3.27Å; V1076-Y1155 HydrophobicContact CB-CE1 4.45Å; V1076-Y1155 HydrophobicContact CG1-CD1 3.57Å; V1076-Y1155 HydrophobicContact CG1-CE1 3.57Å; V1076-Y1155 HydrophobicContact CG1-CG 4.4Å; I1080-Y1155 HydrophobicContact CD1-CD1 4.27Å; E1152-Y1155 HydrophobicContact CB-CD2 3.87Å; E1152-Y1155 PolarHBondContact O-N 2.79Å; E1152-Y1155 VanDerWaalsContact O-N 3.17Å; E1153-Y1155 PolarHBondContact O-N 2.83Å; Y1155-K1158 HydrophobicContact CD1-CD 4.4Å; Y1155-L1159 VanDerWaalsContact O-CB 3.26Å; Y1155-L1159 WeakPolarHBondContact O-CB 3.37Å; Y1155-L1159 PolarHBondContact O-N 2.86Å; Y1155-L1159 VanDerWaalsContact O-N 3.1Å
1156	I	88.1	Confident	88.7	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-46.7	170	-63.9	163	0	0	0	110.1	V1150 E1152 E1153 K1158 L1159 F1160	V1150-I1156 HydrophobicContact CB-CD1 3.99Å; V1150-I1156 HydrophobicContact CB-CG1 3.92Å; V1150-I1156 HydrophobicContact CG1-CD1 4.2Å; V1150-I1156 HydrophobicContact CG1-CG1 3.86Å; E1152-I1156 PolarHBondContact O-N 2.84Å; E1153-I1156 WeakPolarHBondContact O-CA 3.47Å; E1153-I1156 WeakPolarHBondContact O-CB 3.31Å; E1153-I1156 PolarHBondContact O-N 2.97Å; I1156-K1158 PolarHBondContact O-N 2.85Å; I1156-L1159 WeakPolarHBondContact O-CB 3.5Å; I1156-L1159 PolarHBondContact O-N 2.81Å; I1156-F1160 HydrophobicContact CG2-CD2 3.73Å; I1156-F1160 HydrophobicContact CG2-CE1 4.25Å; I1156-F1160 HydrophobicContact CG2-CE2 3.3Å; I1156-F1160 HydrophobicContact CG2-CG 4.37Å; I1156-F1160 HydrophobicContact CG2-CZ 3.6Å; I1156-F1160 WeakPolarHBondContact O-CG 3.33Å; I1156-F1160 PolarHBondContact O-N 2.6Å
1157	E	87.6	Confident	88.8	Confident	82 Å²	82	48.2 Å²	48.2	38%	0.383	23%	0.233	S	C	.	.	H	α-helix	trans	-54.1	-54.5	176	-70.3	174.8	154	0	0	111.5	E1153 L1159 F1160 D1161	E1153-E1157 HydrophobicContact CG-CG 4.36Å; E1153-E1157 WeakPolarHBondContact O-CG 3.29Å; E1153-E1157 PolarHBondContact O-N 2.9Å; E1157-L1159 VanDerWaalsContact C-N 3.31Å; E1157-L1159 PolarHBondContact O-N 3.22Å; E1157-F1160 PolarHBondContact O-N 2.8Å; E1157-F1160 VanDerWaalsContact O-N 3.11Å; E1157-D1161 PolarHBondContact O-N 3.3Å
1158	K	88.3	Confident	88.9	Confident	81 Å²	81	43.9 Å²	43.9	35%	0.352	22%	0.217	S	C	.	.	H	α-helix	trans	-58.3	-40.3	177.9	-69.4	168.8	-168.6	164.8	0	112.7	M1154 Y1155 I1156 Q1162	M1154-K1158 VanDerWaalsContact O-CD 3.24Å; M1154-K1158 WeakPolarHBondContact O-CD 3.49Å; M1154-K1158 WeakPolarHBondContact O-CE 3.42Å; M1154-K1158 VanDerWaalsContact O-CG 3.27Å; M1154-K1158 WeakPolarHBondContact O-CG 3.21Å; M1154-K1158 PolarHBondContact SD-NZ 3.33Å; Y1155-K1158 HydrophobicContact CD1-CD 4.4Å; I1156-K1158 PolarHBondContact O-N 2.85Å; K1158-Q1162 WeakPolarHBondContact O-CB 3.36Å; K1158-Q1162 PolarHBondContact O-N 3.05Å
1159	L	90.8	Very high	89.1	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-41.4	176.9	172.6	61.9	0	0	0	111.2	I1080 L1083 V1084 L1146 Y1155 I1156 E1157 W1163	I1080-L1159 HydrophobicContact CB-CD1 4.48Å; I1080-L1159 HydrophobicContact CG1-CB 4.49Å; I1080-L1159 HydrophobicContact CG2-CB 4.28Å; I1080-L1159 HydrophobicContact CG2-CD1 3.91Å; L1083-L1159 HydrophobicContact CB-CD1 4.34Å; L1083-L1159 HydrophobicContact CD2-CD1 4.12Å; L1083-L1159 HydrophobicContact CD2-CD2 3.93Å; L1083-L1159 HydrophobicContact CG-CD1 4.48Å; V1084-L1159 HydrophobicContact CG2-CD1 3.77Å; L1146-L1159 HydrophobicContact CD1-CD2 3.65Å; L1146-L1159 HydrophobicContact CD2-CD2 3.88Å; L1146-L1159 HydrophobicContact CG-CD2 4.33Å; Y1155-L1159 VanDerWaalsContact O-CB 3.26Å; Y1155-L1159 WeakPolarHBondContact O-CB 3.37Å; Y1155-L1159 PolarHBondContact O-N 2.86Å; Y1155-L1159 VanDerWaalsContact O-N 3.1Å; I1156-L1159 WeakPolarHBondContact O-CB 3.5Å; I1156-L1159 PolarHBondContact O-N 2.81Å; E1157-L1159 VanDerWaalsContact C-N 3.31Å; E1157-L1159 PolarHBondContact O-N 3.22Å; L1159-W1163 WeakPolarHBondContact O-CB 3.38Å; L1159-W1163 PolarHBondContact O-N 3.41Å
1160	F	93.1	Very high	89.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-73.3	-41.6	178.2	-68.6	-12.6	0	0	0	112.9	Q1143 L1146 I1156 E1157 Q1162 W1163 Y1164 F1202 Q1205 V1207	Q1143-F1160 HydrophobicContact CB-CE1 4.18Å; Q1143-F1160 HydrophobicContact CB-CE2 4.47Å; Q1143-F1160 HydrophobicContact CB-CZ 3.79Å; Q1143-F1160 HydrophobicContact CG-CD1 4.46Å; Q1143-F1160 HydrophobicContact CG-CE1 3.87Å; Q1143-F1160 HydrophobicContact CG-CZ 3.9Å; L1146-F1160 HydrophobicContact CB-CE1 4.34Å; L1146-F1160 HydrophobicContact CB-CZ 4.33Å; L1146-F1160 HydrophobicContact CD1-CE1 3.95Å; I1156-F1160 HydrophobicContact CG2-CD2 3.73Å; I1156-F1160 HydrophobicContact CG2-CE1 4.25Å; I1156-F1160 HydrophobicContact CG2-CE2 3.3Å; I1156-F1160 HydrophobicContact CG2-CG 4.37Å; I1156-F1160 HydrophobicContact CG2-CZ 3.6Å; I1156-F1160 WeakPolarHBondContact O-CG 3.33Å; I1156-F1160 PolarHBondContact O-N 2.6Å; E1157-F1160 PolarHBondContact O-N 2.8Å; E1157-F1160 VanDerWaalsContact O-N 3.11Å; F1160-Q1162 VanDerWaalsContact C-N 3.35Å; F1160-Q1162 PolarHBondContact O-N 3.27Å; F1160-W1163 HydrophobicContact CD1-CE3 4.1Å; F1160-W1163 HydrophobicContact CE1-CE3 4.35Å; F1160-W1163 HydrophobicContact CE1-CZ3 4.33Å; F1160-W1163 PolarHBondContact O-N 3.04Å; F1160-Y1164 WeakPolarHBondContact O-CB 3.44Å; F1160-Y1164 PolarHBondContact O-N 3.47Å; F1160-F1202 HydrophobicContact CB-CD1 4Å; F1160-F1202 HydrophobicContact CB-CE1 4.03Å; F1160-F1202 HydrophobicContact CD1-CE1 4.32Å; F1160-F1202 HydrophobicContact CG-CD1 4.49Å; F1160-F1202 HydrophobicContact CG-CE1 4.32Å; F1160-Q1205 HydrophobicContact CD2-CB 3.77Å; F1160-Q1205 HydrophobicContact CE2-CB 3.84Å; F1160-Q1205 HydrophobicContact CE2-CG 4.3Å; F1160-V1207 HydrophobicContact CB-CG2 3.7Å
1161	D	89.9	Confident	89.4	Confident	37 Å²	37	41.2 Å²	41.2	20%	0.198	21%	0.205	C	C	.	.	H	α-helix	trans	-53.8	-50.2	170.8	-95.2	-26.1	0	0	0	110.9	E1157 S1165 V1207 T1211	E1157-D1161 PolarHBondContact O-N 3.3Å; D1161-S1165 VanDerWaalsContact O-CB 3.25Å; D1161-S1165 WeakPolarHBondContact O-CB 3.31Å; D1161-S1165 PolarHBondContact O-N 2.97Å; D1161-S1165 PolarHBondContact O-OG 3.3Å; D1161-V1207 WeakPolarHBondContact OD1-CG1 3.31Å; D1161-T1211 HydrophobicContact CB-CG2 4.25Å; D1161-T1211 VanDerWaalsContact OD1-CB 3.23Å; D1161-T1211 WeakPolarHBondContact OD1-CB 3.5Å; D1161-T1211 VanDerWaalsContact OD1-CG2 3.31Å; D1161-T1211 WeakPolarHBondContact OD1-CG2 3.39Å; D1161-T1211 PolarHBondContact OD1-OG1 2.68Å
1162	Q	91.4	Very high	89.7	Confident	72 Å²	72	38.6 Å²	38.6	34%	0.336	19%	0.192	S	C	.	.	H	α-helix	trans	-71	-37.1	-178.3	-170.3	178.2	-22.4	0	0	112.1	V1084 K1158 F1160 S1166	V1084-Q1162 HydrophobicContact CG1-CG 4.32Å; V1084-Q1162 HydrophobicContact CG2-CB 4.14Å; V1084-Q1162 HydrophobicContact CG2-CG 4.09Å; K1158-Q1162 WeakPolarHBondContact O-CB 3.36Å; K1158-Q1162 PolarHBondContact O-N 3.05Å; F1160-Q1162 VanDerWaalsContact C-N 3.35Å; F1160-Q1162 PolarHBondContact O-N 3.27Å; Q1162-S1166 VanDerWaalsContact O-CB 3.25Å; Q1162-S1166 WeakPolarHBondContact O-CB 3.34Å; Q1162-S1166 PolarHBondContact O-N 2.89Å; Q1162-S1166 PolarHBondContact O-OG 3.29Å
1163	W	93.4	Very high	90	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.3	-47.9	175.5	-175.4	8.6	0	0	0	111.7	V1084 F1087 F1138 V1139 N1142 Q1143 L1159 F1160 S1166 S1167 F1202	V1084-W1163 HydrophobicContact CG2-CB 4.06Å; F1087-W1163 HydrophobicContact CB-CD2 4.26Å; F1087-W1163 HydrophobicContact CB-CG 4.46Å; F1087-W1163 HydrophobicContact CB-CZ2 4Å; F1087-W1163 HydrophobicContact CD1-CH2 4.46Å; F1087-W1163 HydrophobicContact CD1-CZ2 4.23Å; F1087-W1163 AromaticContact CD2-CD2 3.32Å; F1087-W1163 HydrophobicContact CD2-CD2 3.32Å; F1087-W1163 AromaticContact CD2-CE2 3.43Å; F1087-W1163 VanDerWaalsContact CD2-CE2 3.43Å; F1087-W1163 AromaticContact CD2-CE3 3.54Å; F1087-W1163 HydrophobicContact CD2-CE3 3.54Å; F1087-W1163 AromaticContact CD2-CG 3.88Å; F1087-W1163 HydrophobicContact CD2-CG 3.88Å; F1087-W1163 AromaticContact CD2-CH2 3.96Å; F1087-W1163 HydrophobicContact CD2-CH2 3.96Å; F1087-W1163 AromaticContact CD2-CZ2 3.76Å; F1087-W1163 HydrophobicContact CD2-CZ2 3.76Å; F1087-W1163 AromaticContact CD2-CZ3 3.85Å; F1087-W1163 HydrophobicContact CD2-CZ3 3.85Å; F1087-W1163 AromaticContact CD2-NE1 3.95Å; F1087-W1163 HydrophobicContact CE1-CH2 4.29Å; F1087-W1163 AromaticContact CE2-CD2 3.74Å; F1087-W1163 HydrophobicContact CE2-CD2 3.74Å; F1087-W1163 AromaticContact CE2-CE3 3.4Å; F1087-W1163 HydrophobicContact CE2-CE3 3.4Å; F1087-W1163 AromaticContact CE2-CH2 3.77Å; F1087-W1163 HydrophobicContact CE2-CH2 3.77Å; F1087-W1163 HydrophobicContact CE2-CZ2 4.08Å; F1087-W1163 AromaticContact CE2-CZ3 3.42Å; F1087-W1163 HydrophobicContact CE2-CZ3 3.42Å; F1087-W1163 VanDerWaalsContact CE2-CZ3 3.42Å; F1087-W1163 HydrophobicContact CG-CD2 4.09Å; F1087-W1163 AromaticContact CG-CE2 3.69Å; F1087-W1163 HydrophobicContact CG-CH2 4.26Å; F1087-W1163 AromaticContact CG-CZ2 3.8Å; F1087-W1163 HydrophobicContact CG-CZ2 3.8Å; F1087-W1163 HydrophobicContact CZ-CE3 4.28Å; F1087-W1163 AromaticContact CZ-CH2 3.9Å; F1087-W1163 HydrophobicContact CZ-CH2 3.9Å; F1087-W1163 HydrophobicContact CZ-CZ2 4.4Å; F1087-W1163 AromaticContact CZ-CZ3 3.83Å; F1087-W1163 HydrophobicContact CZ-CZ3 3.83Å; F1138-W1163 HydrophobicContact CE1-CZ2 4.16Å; F1138-W1163 HydrophobicContact CZ-CZ2 4.43Å; V1139-W1163 HydrophobicContact CB-CH2 4.44Å; V1139-W1163 HydrophobicContact CB-CZ2 4.36Å; V1139-W1163 HydrophobicContact CG1-CH2 4.26Å; V1139-W1163 HydrophobicContact CG1-CZ2 4.36Å; V1139-W1163 HydrophobicContact CG2-CZ2 4Å; N1142-W1163 HydrophobicContact CB-CH2 4.07Å; Q1143-W1163 HydrophobicContact CG-CH2 4.21Å; Q1143-W1163 HydrophobicContact CG-CZ3 3.7Å; L1159-W1163 WeakPolarHBondContact O-CB 3.38Å; L1159-W1163 PolarHBondContact O-N 3.41Å; F1160-W1163 HydrophobicContact CD1-CE3 4.1Å; F1160-W1163 HydrophobicContact CE1-CE3 4.35Å; F1160-W1163 HydrophobicContact CE1-CZ3 4.33Å; F1160-W1163 PolarHBondContact O-N 3.04Å; W1163-S1166 PolarHBondContact O-N 2.78Å; W1163-S1167 WeakPolarHBondContact O-CB 3.19Å; W1163-S1167 PolarHBondContact O-N 2.85Å; W1163-S1167 PolarHBondContact O-OG 2.84Å; W1163-F1202 HydrophobicContact CB-CE1 4.16Å; W1163-F1202 HydrophobicContact CB-CZ 4.25Å; W1163-F1202 HydrophobicContact CD2-CE1 4.03Å; W1163-F1202 AromaticContact CD2-CZ 3.5Å; W1163-F1202 HydrophobicContact CD2-CZ 3.5Å; W1163-F1202 VanDerWaalsContact CD2-CZ 3.5Å; W1163-F1202 AromaticContact CE2-CZ 3.9Å; W1163-F1202 AromaticContact CE3-CE1 3.88Å; W1163-F1202 HydrophobicContact CE3-CE1 3.88Å; W1163-F1202 AromaticContact CE3-CZ 3.64Å; W1163-F1202 HydrophobicContact CE3-CZ 3.64Å; W1163-F1202 HydrophobicContact CG-CE1 4.19Å; W1163-F1202 AromaticContact CG-CZ 3.8Å; W1163-F1202 HydrophobicContact CG-CZ 3.8Å; W1163-F1202 HydrophobicContact CZ2-CZ 4.4Å; W1163-F1202 HydrophobicContact CZ3-CZ 4.15Å
1164	Y	92.6	Very high	90.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-51.9	176.2	176.9	-91.7	0	0	0	111.3	F1160 S1166 S1167 M1168 T1198 Y1199 F1202 V1207 T1211 L1212 Y1217	F1160-Y1164 WeakPolarHBondContact O-CB 3.44Å; F1160-Y1164 PolarHBondContact O-N 3.47Å; Y1164-S1166 VanDerWaalsContact C-N 3.32Å; Y1164-S1166 PolarHBondContact O-N 2.9Å; Y1164-S1167 WeakPolarHBondContact O-CB 3.47Å; Y1164-S1167 PolarHBondContact O-N 3.18Å; Y1164-S1167 VanDerWaalsContact O-N 3.15Å; Y1164-M1168 HydrophobicContact CD1-CG 4.38Å; Y1164-M1168 HydrophobicContact CD2-CE 4.23Å; Y1164-M1168 HydrophobicContact CD2-CG 4.49Å; Y1164-M1168 HydrophobicContact CE1-CG 3.85Å; Y1164-M1168 HydrophobicContact CE2-CE 3.38Å; Y1164-M1168 HydrophobicContact CE2-CG 3.98Å; Y1164-M1168 PolarHBondContact O-N 3.21Å; Y1164-T1198 HydrophobicContact CD2-CG2 4.2Å; Y1164-T1198 HydrophobicContact CE2-CG2 4.41Å; Y1164-Y1199 WeakPolarHBondContact OH-CD2 3.27Å; Y1164-F1202 HydrophobicContact CD2-CB 3.81Å; Y1164-F1202 AromaticContact CD2-CD2 3.94Å; Y1164-F1202 HydrophobicContact CD2-CD2 3.94Å; Y1164-F1202 AromaticContact CD2-CG 3.87Å; Y1164-F1202 HydrophobicContact CD2-CG 3.87Å; Y1164-F1202 HydrophobicContact CG-CB 4.4Å; Y1164-F1202 HydrophobicContact CG-CG 4.37Å; Y1164-V1207 HydrophobicContact CD1-CG1 4.47Å; Y1164-V1207 HydrophobicContact CG-CG1 4.44Å; Y1164-T1211 HydrophobicContact CD1-CG2 4.18Å; Y1164-T1211 WeakPolarHBondContact CE1-O 3.47Å; Y1164-L1212 HydrophobicContact CD1-CD2 4.47Å; Y1164-L1212 HydrophobicContact CD2-CD2 4.22Å; Y1164-L1212 HydrophobicContact CE1-CD2 4.19Å; Y1164-L1212 WeakPolarHBondContact CE1-O 3.32Å; Y1164-L1212 HydrophobicContact CE2-CD2 3.92Å; Y1164-L1212 HydrophobicContact CG-CD2 4.48Å; Y1164-L1212 PolarHBondContact OH-O 2.66Å; Y1164-Y1217 VanDerWaalsContact OH-CD2 3.24Å; Y1164-Y1217 WeakPolarHBondContact OH-CD2 3.2Å
1165	S	90.8	Very high	90.1	Very high	48 Å²	48	32 Å²	32	34%	0.336	16%	0.164	S	C	.	.	H	α-helix	trans	-57.4	-43.8	-179.6	-61.8	0	0	0	0	112.3	D1161 K1169 T1211	D1161-S1165 VanDerWaalsContact O-CB 3.25Å; D1161-S1165 WeakPolarHBondContact O-CB 3.31Å; D1161-S1165 PolarHBondContact O-N 2.97Å; D1161-S1165 PolarHBondContact O-OG 3.3Å; S1165-K1169 VanDerWaalsContact O-CB 3.32Å; S1165-K1169 WeakPolarHBondContact O-CB 3.37Å; S1165-K1169 PolarHBondContact O-N 2.9Å; S1165-T1211 VanDerWaalsContact OG-CG2 3.24Å; S1165-T1211 WeakPolarHBondContact OG-CG2 3.1Å
1166	S	92.1	Very high	90	Very high	33 Å²	33	34.3 Å²	34.3	23%	0.231	18%	0.18	C	C	.	.	H	α-helix	trans	-70.1	-36.8	179.3	-55.3	0	0	0	0	112	Q1162 W1163 Y1164 K1169 V1170	Q1162-S1166 VanDerWaalsContact O-CB 3.25Å; Q1162-S1166 WeakPolarHBondContact O-CB 3.34Å; Q1162-S1166 PolarHBondContact O-N 2.89Å; Q1162-S1166 PolarHBondContact O-OG 3.29Å; W1163-S1166 PolarHBondContact O-N 2.78Å; Y1164-S1166 VanDerWaalsContact C-N 3.32Å; Y1164-S1166 PolarHBondContact O-N 2.9Å; S1166-K1169 PolarHBondContact O-N 3.33Å; S1166-V1170 PolarHBondContact O-N 3.1Å
1167	S	90.8	Very high	89.8	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-63.9	-48.6	176.4	-59	0	0	0	0	111.6	W1163 Y1164 K1169 V1170 I1171	W1163-S1167 WeakPolarHBondContact O-CB 3.19Å; W1163-S1167 PolarHBondContact O-N 2.85Å; W1163-S1167 PolarHBondContact O-OG 2.84Å; Y1164-S1167 WeakPolarHBondContact O-CB 3.47Å; Y1164-S1167 PolarHBondContact O-N 3.18Å; Y1164-S1167 VanDerWaalsContact O-N 3.15Å; S1167-K1169 VanDerWaalsContact C-N 3.31Å; S1167-K1169 PolarHBondContact O-N 3.15Å; S1167-V1170 PolarHBondContact O-N 2.89Å; S1167-I1171 WeakPolarHBondContact O-CG1 3.3Å; S1167-I1171 PolarHBondContact O-N 2.9Å
1168	M	92.2	Very high	89.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-34	177	-66.5	-56	174.1	0	0	112.1	Y1164 I1171 C1172 V1195 T1198 Y1217	Y1164-M1168 HydrophobicContact CD1-CG 4.38Å; Y1164-M1168 HydrophobicContact CD2-CE 4.23Å; Y1164-M1168 HydrophobicContact CD2-CG 4.49Å; Y1164-M1168 HydrophobicContact CE1-CG 3.85Å; Y1164-M1168 HydrophobicContact CE2-CE 3.38Å; Y1164-M1168 HydrophobicContact CE2-CG 3.98Å; Y1164-M1168 PolarHBondContact O-N 3.21Å; M1168-I1171 HydrophobicContact SD-CD1 4.26Å; M1168-C1172 VanDerWaalsContact O-CB 3.26Å; M1168-C1172 WeakPolarHBondContact O-CB 3.48Å; M1168-C1172 PolarHBondContact O-N 2.64Å; M1168-V1195 HydrophobicContact CE-CG1 4.21Å; M1168-V1195 HydrophobicContact SD-CG1 4.4Å; M1168-V1195 HydrophobicContact SD-CG2 4.41Å; M1168-T1198 HydrophobicContact CE-CG2 3.99Å; M1168-Y1217 HydrophobicContact CE-CD2 4.21Å; M1168-Y1217 HydrophobicContact CE-CE2 4.48Å; M1168-Y1217 HydrophobicContact SD-CD2 4.16Å
1169	K	91.3	Very high	89.1	Confident	136 Å²	136	38.1 Å²	38.1	59%	0.591	21%	0.205	S	C	*	.	H	α-helix	trans	-62.8	-44	172.4	-174.2	177.6	178.4	-177.8	0	112.7	S1165 S1166 S1167 C1172 V1173 T1216	S1165-K1169 VanDerWaalsContact O-CB 3.32Å; S1165-K1169 WeakPolarHBondContact O-CB 3.37Å; S1165-K1169 PolarHBondContact O-N 2.9Å; S1166-K1169 PolarHBondContact O-N 3.33Å; S1167-K1169 VanDerWaalsContact C-N 3.31Å; S1167-K1169 PolarHBondContact O-N 3.15Å; K1169-C1172 WeakPolarHBondContact O-CB 3.5Å; K1169-C1172 PolarHBondContact O-N 3.11Å; K1169-V1173 WeakPolarHBondContact O-CG2 3.26Å; K1169-V1173 PolarHBondContact O-N 2.93Å; K1169-T1216 HydrophobicContact CB-CG2 4.36Å
1170	V	91.4	Very high	88.3	Confident	31 Å²	31	45.9 Å²	45.9	19%	0.188	25%	0.246	C	C	.	.	H	α-helix	trans	-69.1	-38.3	178.4	168.1	0	0	0	0	112	V1088 E1092 L1095 S1166 S1167 C1172 V1173 W1174	V1088-V1170 HydrophobicContact CG1-CB 4.31Å; V1088-V1170 HydrophobicContact CG1-CG2 3.57Å; E1092-V1170 HydrophobicContact CG-CG1 3.84Å; L1095-V1170 HydrophobicContact CD1-CG1 3.71Å; S1166-V1170 PolarHBondContact O-N 3.1Å; S1167-V1170 PolarHBondContact O-N 2.89Å; V1170-C1172 VanDerWaalsContact C-N 3.33Å; V1170-V1173 PolarHBondContact O-N 3.15Å; V1170-W1174 WeakPolarHBondContact O-CB 3.46Å; V1170-W1174 PolarHBondContact O-N 2.99Å
1171	I	88.5	Confident	87.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-42.5	171.3	-66.1	165.6	0	0	0	110.6	L1091 L1095 S1167 M1168 V1173 W1174 L1175 L1191 I1194 V1195 V1220	L1091-I1171 HydrophobicContact CD1-CD1 4.47Å; L1091-I1171 HydrophobicContact CD1-CG1 4.46Å; L1091-I1171 HydrophobicContact CD2-CD1 4.18Å; L1091-I1171 HydrophobicContact CD2-CG1 4.11Å; L1095-I1171 HydrophobicContact CD1-CG1 4.31Å; S1167-I1171 WeakPolarHBondContact O-CG1 3.3Å; S1167-I1171 PolarHBondContact O-N 2.9Å; M1168-I1171 HydrophobicContact SD-CD1 4.26Å; I1171-V1173 PolarHBondContact O-N 2.86Å; I1171-W1174 PolarHBondContact O-N 2.9Å; I1171-L1175 HydrophobicContact CG2-CD1 3.99Å; I1171-L1175 WeakPolarHBondContact O-CB 3.46Å; I1171-L1175 WeakPolarHBondContact O-CG 3.33Å; I1171-L1175 PolarHBondContact O-N 2.85Å; I1171-L1191 HydrophobicContact CG2-CD2 4.45Å; I1171-I1194 HydrophobicContact CD1-CG2 4.19Å; I1171-V1195 HydrophobicContact CD1-CG2 4.08Å; I1171-V1195 HydrophobicContact CG2-CG2 4.25Å; I1171-V1220 HydrophobicContact CG2-CG1 3.77Å; I1171-V1220 HydrophobicContact CG2-CG2 4.15Å
1172	C	89	Confident	86.6	Confident	19 Å²	19	52.1 Å²	52.1	13%	0.128	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-42.6	176.6	-166.1	0	0	0	0	112.3	M1168 K1169 V1170 L1175 T1176 T1216 V1220	M1168-C1172 VanDerWaalsContact O-CB 3.26Å; M1168-C1172 WeakPolarHBondContact O-CB 3.48Å; M1168-C1172 PolarHBondContact O-N 2.64Å; K1169-C1172 WeakPolarHBondContact O-CB 3.5Å; K1169-C1172 PolarHBondContact O-N 3.11Å; V1170-C1172 VanDerWaalsContact C-N 3.33Å; C1172-L1175 PolarHBondContact O-N 3.01Å; C1172-T1176 WeakPolarHBondContact O-CB 3.49Å; C1172-T1176 PolarHBondContact O-N 3.15Å; C1172-T1176 PolarHBondContact O-OG1 3.47Å; C1172-T1216 HydrophobicContact CB-CG2 3.61Å; C1172-V1220 HydrophobicContact CB-CG2 3.54Å
1173	V	89.9	Confident	85.9	Confident	73 Å²	73	49 Å²	49	44%	0.442	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-48.1	175.7	171.6	0	0	0	0	110.7	K1169 V1170 I1171 L1175 T1176 D1177	K1169-V1173 WeakPolarHBondContact O-CG2 3.26Å; K1169-V1173 PolarHBondContact O-N 2.93Å; V1170-V1173 PolarHBondContact O-N 3.15Å; I1171-V1173 PolarHBondContact O-N 2.86Å; V1173-L1175 PolarHBondContact O-N 2.8Å; V1173-T1176 CarbonylContact O-C 3.58Å; V1173-T1176 WeakPolarHBondContact O-CA 3Å; V1173-T1176 WeakPolarHBondContact O-CB 2.94Å; V1173-T1176 PolarHBondContact O-N 2.85Å; V1173-D1177 VanDerWaalsContact O-CG 3.27Å; V1173-D1177 PolarHBondContact O-N 3.12Å
1174	W	89.3	Confident	85.2	Confident	22 Å²	22	52.6 Å²	52.6	8%	0.083	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-33.2	179.5	-173.8	96.3	0	0	0	113.2	L1095 L1098 V1170 I1171 R1178 L1183 L1191	L1095-W1174 HydrophobicContact CB-CG 4.17Å; L1095-W1174 HydrophobicContact CD1-CB 4.19Å; L1095-W1174 HydrophobicContact CD1-CG 4.29Å; L1095-W1174 HydrophobicContact CD2-CD2 4.02Å; L1095-W1174 HydrophobicContact CD2-CE3 4.46Å; L1095-W1174 HydrophobicContact CD2-CG 4.07Å; L1095-W1174 HydrophobicContact CG-CG 4.41Å; L1095-W1174 PolarHBondContact O-NE1 2.92Å; L1095-W1174 VanDerWaalsContact O-NE1 3.12Å; L1098-W1174 HydrophobicContact CB-CZ2 4.05Å; V1170-W1174 WeakPolarHBondContact O-CB 3.46Å; V1170-W1174 PolarHBondContact O-N 2.99Å; I1171-W1174 PolarHBondContact O-N 2.9Å; W1174-R1178 VanDerWaalsContact CE2-CZ 3.43Å; W1174-R1178 VanDerWaalsContact CZ2-NE 3.34Å; W1174-R1178 PolarHBondContact O-NH1 3.45Å; W1174-L1183 HydrophobicContact CH2-CD2 4.29Å; W1174-L1183 HydrophobicContact CZ3-CD2 3.95Å; W1174-L1191 HydrophobicContact CE3-CD1 4.13Å; W1174-L1191 HydrophobicContact CH2-CD1 4.15Å; W1174-L1191 HydrophobicContact CZ3-CD1 3.51Å
1175	L	85.3	Confident	84.3	Confident	8 Å²	8	54.5 Å²	54.5	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-75.2	-34.4	170.5	-71.8	171.4	0	0	0	112.8	I1171 C1172 V1173 R1178 L1179 L1183 L1191 V1220 L1224	I1171-L1175 HydrophobicContact CG2-CD1 3.99Å; I1171-L1175 WeakPolarHBondContact O-CB 3.46Å; I1171-L1175 WeakPolarHBondContact O-CG 3.33Å; I1171-L1175 PolarHBondContact O-N 2.85Å; C1172-L1175 PolarHBondContact O-N 3.01Å; V1173-L1175 PolarHBondContact O-N 2.8Å; L1175-R1178 CarbonylContact O-C 3.56Å; L1175-R1178 PolarHBondContact O-N 3.15Å; L1175-R1178 VanDerWaalsContact O-N 3.14Å; L1175-L1179 PolarHBondContact O-N 3.28Å; L1175-L1183 HydrophobicContact CD2-CD1 3.66Å; L1175-L1183 HydrophobicContact CD2-CD2 4.36Å; L1175-L1191 HydrophobicContact CD2-CD1 4.21Å; L1175-V1220 HydrophobicContact CD1-CB 4.4Å; L1175-V1220 HydrophobicContact CD1-CG1 3.98Å; L1175-V1220 HydrophobicContact CD1-CG2 4.28Å; L1175-L1224 HydrophobicContact CD1-CD2 4.39Å; L1175-L1224 HydrophobicContact CD1-CG 4.34Å; L1175-L1224 HydrophobicContact CD2-CD2 4.38Å
1176	T	84.8	Confident	83.5	Confident	71 Å²	71	55.5 Å²	55.5	44%	0.436	29%	0.285	S	S	.	.	H	α-helix	trans	-65.5	-41.3	176.3	-57.3	0	0	0	0	111.2	C1172 V1173 R1178 L1179	C1172-T1176 WeakPolarHBondContact O-CB 3.49Å; C1172-T1176 PolarHBondContact O-N 3.15Å; C1172-T1176 PolarHBondContact O-OG1 3.47Å; V1173-T1176 CarbonylContact O-C 3.58Å; V1173-T1176 WeakPolarHBondContact O-CA 3Å; V1173-T1176 WeakPolarHBondContact O-CB 2.94Å; V1173-T1176 PolarHBondContact O-N 2.85Å; T1176-R1178 PolarHBondContact O-N 3.13Å; T1176-L1179 HydrophobicContact CG2-CD1 3.93Å; T1176-L1179 WeakPolarHBondContact O-CB 3.25Å; T1176-L1179 WeakPolarHBondContact O-CG 3.34Å; T1176-L1179 PolarHBondContact O-N 3.33Å; T1176-L1179 VanDerWaalsContact O-N 3.12Å
1177	D	83.6	Confident	82.9	Confident	115 Å²	115	54 Å²	54	62%	0.615	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-10	173.6	-60.3	-25.5	0	0	0	113.3	V1173	V1173-D1177 VanDerWaalsContact O-CG 3.27Å; V1173-D1177 PolarHBondContact O-N 3.12Å
1178	R	83.1	Confident	82.3	Confident	31 Å²	31	53.9 Å²	53.9	12%	0.117	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	20.1	-178.8	-70.6	168.5	-177.5	63.4	16.1	112.4	S1099 D1102 W1174 L1175 T1176 D1180 L1181 R1223	S1099-R1178 VanDerWaalsContact CB-NH2 3.33Å; D1102-R1178 IonicContact OD1-CZ 3.66Å; D1102-R1178 IonicContact OD1-NE 2.7Å; D1102-R1178 PolarHBondContact OD1-NE 3.36Å; D1102-R1178 IonicContact OD1-NH2 3.78Å; D1102-R1178 IonicContact OD2-CZ 3.41Å; D1102-R1178 IonicContact OD2-NE 3.27Å; D1102-R1178 PolarHBondContact OD2-NE 3.18Å; D1102-R1178 IonicContact OD2-NH2 2.7Å; D1102-R1178 PolarHBondContact OD2-NH2 3.46Å; W1174-R1178 VanDerWaalsContact CE2-CZ 3.43Å; W1174-R1178 VanDerWaalsContact CZ2-NE 3.34Å; W1174-R1178 PolarHBondContact O-NH1 3.45Å; L1175-R1178 CarbonylContact O-C 3.56Å; L1175-R1178 PolarHBondContact O-N 3.15Å; L1175-R1178 VanDerWaalsContact O-N 3.14Å; T1176-R1178 PolarHBondContact O-N 3.13Å; R1178-D1180 PolarHBondContact O-N 2.72Å; R1178-D1180 VanDerWaalsContact O-N 3.15Å; R1178-L1181 HydrophobicContact CB-CB 4.45Å; R1178-L1181 HydrophobicContact CG-CD1 4.35Å; R1178-L1181 PolarHBondContact O-N 2.97Å; R1178-L1181 VanDerWaalsContact O-O 3.11Å; R1178-R1223 PolarHBondContact O-NH2 3.2Å
1179	L	77.9	Confident	81.6	Confident	100 Å²	100	56.5 Å²	56.5	52%	0.524	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-43.5	-178.4	-91.9	166.1	0	0	0	113.2	L1175 T1176 R1223	L1175-L1179 PolarHBondContact O-N 3.28Å; T1176-L1179 HydrophobicContact CG2-CD1 3.93Å; T1176-L1179 WeakPolarHBondContact O-CB 3.25Å; T1176-L1179 WeakPolarHBondContact O-CG 3.34Å; T1176-L1179 PolarHBondContact O-N 3.33Å; T1176-L1179 VanDerWaalsContact O-N 3.12Å; L1179-R1223 PolarHBondContact O-NH1 3.21Å; L1179-R1223 PolarHBondContact O-NH2 3.31Å
1180	D	74.8	Confident	81.1	Confident	166 Å²	166	50.1 Å²	50.1	89%	0.888	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	5.9	-176.7	-55.1	-49.1	0	0	0	114.4	R1178	R1178-D1180 PolarHBondContact O-N 2.72Å; R1178-D1180 VanDerWaalsContact O-N 3.15Å
1181	L	73.6	Confident	80.8	Confident	75 Å²	75	48.7 Å²	48.7	39%	0.393	25%	0.249	S	C	.	.	S	Bend	trans	-114.5	142.9	179.2	-63.9	174.6	0	0	0	110.7	R1178 R1223	R1178-L1181 HydrophobicContact CB-CB 4.45Å; R1178-L1181 HydrophobicContact CG-CD1 4.35Å; R1178-L1181 PolarHBondContact O-N 2.97Å; R1178-L1181 VanDerWaalsContact O-O 3.11Å; L1181-R1223 PolarHBondContact O-NH2 3.46Å
1182	Q	72.6	Confident	80.6	Confident	92 Å²	92	48.7 Å²	48.7	43%	0.43	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-81.1	139.4	170	-173	172.8	-8.1	0	0	109.7
1183	L	77.3	Confident	80.4	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.037	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-78.7	131.9	-179.2	-63.7	179.1	0	0	0	111.7	W1174 L1175 L1188 L1191 L1224 E1227	W1174-L1183 HydrophobicContact CH2-CD2 4.29Å; W1174-L1183 HydrophobicContact CZ3-CD2 3.95Å; L1175-L1183 HydrophobicContact CD2-CD1 3.66Å; L1175-L1183 HydrophobicContact CD2-CD2 4.36Å; L1183-L1188 HydrophobicContact CB-CB 4.41Å; L1183-L1188 HydrophobicContact CD1-CD1 4.37Å; L1183-L1191 HydrophobicContact CD1-CD1 4.37Å; L1183-L1224 HydrophobicContact CD1-CD2 4.24Å; L1183-E1227 HydrophobicContact CD1-CB 4.46Å; L1183-E1227 HydrophobicContact CD1-CG 3.89Å; L1183-E1227 HydrophobicContact CG-CG 4.21Å; L1183-E1227 PolarHBondContact N-OE2 2.74Å
1184	H	77.6	Confident	80.2	Confident	76 Å²	76	46.4 Å²	46.4	35%	0.352	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-64	140.2	173.5	174.3	-102.9	0	0	0	110.3	Y1101 Y1186 Q1187 L1188	Y1101-H1184 AromaticContact CD1-CE1 3.95Å; Y1101-H1184 AromaticContact CD1-ND1 3.91Å; Y1101-H1184 WeakPolarHBondContact O-CB 3.37Å; H1184-Y1186 PolarHBondContact ND1-N 2.69Å; H1184-Y1186 PolarHBondContact O-N 3.42Å; H1184-Q1187 HydrophobicContact CB-CG 4.16Å; H1184-Q1187 WeakPolarHBondContact O-CA 3.46Å; H1184-Q1187 VanDerWaalsContact O-CB 3.29Å; H1184-Q1187 WeakPolarHBondContact O-CB 3.42Å; H1184-Q1187 PolarHBondContact O-N 3.01Å; H1184-L1188 PolarHBondContact O-N 3.03Å
1185	I	74.5	Confident	80.2	Confident	39 Å²	39	45.4 Å²	45.4	20%	0.2	23%	0.227	C	C	.	.	H	α-helix	trans	-54.3	-34.7	-169.9	-61.9	174.5	0	0	0	113.1	K1189 E1235	I1185-K1189 WeakPolarHBondContact O-CB 3.38Å; I1185-K1189 WeakPolarHBondContact O-CG 3.34Å; I1185-K1189 PolarHBondContact O-N 3.05Å; I1185-E1235 HydrophobicContact CD1-CB 4.36Å; I1185-E1235 HydrophobicContact CD1-CG 4.33Å; I1185-E1235 WeakPolarHBondContact CD1-OE2 3.36Å
1186	Y	74.1	Confident	80.2	Confident	69 Å²	69	46 Å²	46	27%	0.271	23%	0.229	S	C	.	.	H	α-helix	trans	-67.3	-38.9	174.2	-178.2	-107.2	0	0	0	113	L1098 Y1101 H1184 T1190	L1098-Y1186 HydrophobicContact CD2-CE1 4.45Å; Y1101-Y1186 HydrophobicContact CD1-CD1 4.31Å; Y1101-Y1186 HydrophobicContact CD2-CD1 4.01Å; Y1101-Y1186 HydrophobicContact CD2-CE1 4.38Å; Y1101-Y1186 HydrophobicContact CE1-CD1 4.05Å; Y1101-Y1186 AromaticContact CE2-CD1 3.74Å; Y1101-Y1186 HydrophobicContact CE2-CD1 3.74Å; Y1101-Y1186 AromaticContact CE2-CE1 3.73Å; Y1101-Y1186 HydrophobicContact CE2-CE1 3.73Å; Y1101-Y1186 HydrophobicContact CG-CD1 4.3Å; Y1101-Y1186 AromaticContact CZ-CD1 3.76Å; Y1101-Y1186 AromaticContact CZ-CE1 3.81Å; H1184-Y1186 PolarHBondContact ND1-N 2.69Å; H1184-Y1186 PolarHBondContact O-N 3.42Å; Y1186-T1190 WeakPolarHBondContact O-CB 3.21Å; Y1186-T1190 PolarHBondContact O-N 2.57Å; Y1186-T1190 PolarHBondContact O-OG1 3.3Å
1187	Q	78.5	Confident	80.3	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-49	175.1	-58.4	174.2	-45.6	0	0	110.1	L1098 D1102 H1184 T1190 L1191	L1098-Q1187 HydrophobicContact CD2-CB 4.34Å; L1098-Q1187 HydrophobicContact CD2-CG 4.31Å; L1098-Q1187 PolarHBondContact O-NE2 3.49Å; D1102-Q1187 PolarHBondContact OD1-NE2 3.25Å; H1184-Q1187 HydrophobicContact CB-CG 4.16Å; H1184-Q1187 WeakPolarHBondContact O-CA 3.46Å; H1184-Q1187 VanDerWaalsContact O-CB 3.29Å; H1184-Q1187 WeakPolarHBondContact O-CB 3.42Å; H1184-Q1187 PolarHBondContact O-N 3.01Å; Q1187-T1190 PolarHBondContact O-N 2.89Å; Q1187-L1191 WeakPolarHBondContact O-CB 3.44Å; Q1187-L1191 VanDerWaalsContact O-CG 3.28Å; Q1187-L1191 WeakPolarHBondContact O-CG 3.37Å; Q1187-L1191 PolarHBondContact O-N 2.84Å
1188	L	79.2	Confident	80.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.6	-51.4	179.7	-176.8	57.7	0	0	0	111.7	L1183 H1184 T1190 L1191 I1192 L1224 E1227 A1231	L1183-L1188 HydrophobicContact CB-CB 4.41Å; L1183-L1188 HydrophobicContact CD1-CD1 4.37Å; H1184-L1188 PolarHBondContact O-N 3.03Å; L1188-T1190 PolarHBondContact O-N 3.39Å; L1188-L1191 PolarHBondContact O-N 2.74Å; L1188-I1192 HydrophobicContact CD1-CD1 3.76Å; L1188-I1192 HydrophobicContact CD1-CG1 4.13Å; L1188-I1192 HydrophobicContact CG-CD1 3.86Å; L1188-I1192 WeakPolarHBondContact O-CB 3.48Å; L1188-I1192 VanDerWaalsContact O-CG1 3.24Å; L1188-I1192 WeakPolarHBondContact O-CG1 3.35Å; L1188-I1192 PolarHBondContact O-N 2.84Å; L1188-L1224 HydrophobicContact CD1-CD2 3.93Å; L1188-E1227 HydrophobicContact CD1-CB 3.62Å; L1188-E1227 HydrophobicContact CD2-CB 4.12Å; L1188-A1231 HydrophobicContact CD2-CB 3.84Å
1189	K	78.1	Confident	80.7	Confident	54 Å²	54	41.2 Å²	41.2	24%	0.235	20%	0.197	C	C	.	.	H	α-helix	trans	-57.9	-44.9	175.4	-76.9	-171.4	179.4	-168.8	0	113	I1185 K1193 G1238 L1239 I1242	I1185-K1189 WeakPolarHBondContact O-CB 3.38Å; I1185-K1189 WeakPolarHBondContact O-CG 3.34Å; I1185-K1189 PolarHBondContact O-N 3.05Å; K1189-K1193 VanDerWaalsContact O-CB 3.25Å; K1189-K1193 WeakPolarHBondContact O-CB 3.3Å; K1189-K1193 PolarHBondContact O-N 3.06Å; K1189-G1238 WeakPolarHBondContact CE-O 3.28Å; K1189-G1238 PolarHBondContact NZ-O 3.36Å; K1189-L1239 HydrophobicContact CG-CD2 4.01Å; K1189-I1242 HydrophobicContact CB-CD1 4.23Å; K1189-I1242 HydrophobicContact CD-CD1 4.45Å; K1189-I1242 HydrophobicContact CG-CD1 4.43Å
1190	T	80.9	Confident	81.1	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-43.1	-179.7	-54.2	0	0	0	0	110.9	L1098 L1131 A1132 Y1186 Q1187 L1188 K1193 I1194	L1098-T1190 HydrophobicContact CD1-CG2 4.02Å; L1098-T1190 HydrophobicContact CD2-CG2 3.91Å; L1098-T1190 HydrophobicContact CG-CG2 4.48Å; L1131-T1190 HydrophobicContact CB-CG2 4.22Å; A1132-T1190 HydrophobicContact CB-CG2 3.92Å; Y1186-T1190 WeakPolarHBondContact O-CB 3.21Å; Y1186-T1190 PolarHBondContact O-N 2.57Å; Y1186-T1190 PolarHBondContact O-OG1 3.3Å; Q1187-T1190 PolarHBondContact O-N 2.89Å; L1188-T1190 PolarHBondContact O-N 3.39Å; T1190-K1193 PolarHBondContact O-N 3.04Å; T1190-I1194 HydrophobicContact CG2-CD1 3.95Å; T1190-I1194 WeakPolarHBondContact O-CB 3.43Å; T1190-I1194 VanDerWaalsContact O-CG1 3.3Å; T1190-I1194 WeakPolarHBondContact O-CG1 3.4Å; T1190-I1194 PolarHBondContact O-N 2.85Å
1191	L	84.9	Confident	81.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.7	-45.3	-179.8	-70.9	168	0	0	0	112.6	L1095 L1098 I1171 W1174 L1175 L1183 Q1187 L1188 K1193 I1194 V1195 L1224	L1095-L1191 HydrophobicContact CD2-CD2 3.68Å; L1098-L1191 HydrophobicContact CD1-CD2 4.39Å; I1171-L1191 HydrophobicContact CG2-CD2 4.45Å; W1174-L1191 HydrophobicContact CE3-CD1 4.13Å; W1174-L1191 HydrophobicContact CH2-CD1 4.15Å; W1174-L1191 HydrophobicContact CZ3-CD1 3.51Å; L1175-L1191 HydrophobicContact CD2-CD1 4.21Å; L1183-L1191 HydrophobicContact CD1-CD1 4.37Å; Q1187-L1191 WeakPolarHBondContact O-CB 3.44Å; Q1187-L1191 VanDerWaalsContact O-CG 3.28Å; Q1187-L1191 WeakPolarHBondContact O-CG 3.37Å; Q1187-L1191 PolarHBondContact O-N 2.84Å; L1188-L1191 PolarHBondContact O-N 2.74Å; L1191-K1193 VanDerWaalsContact C-N 3.28Å; L1191-K1193 PolarHBondContact O-N 2.59Å; L1191-I1194 PolarHBondContact O-N 2.78Å; L1191-V1195 WeakPolarHBondContact O-CB 3.43Å; L1191-V1195 VanDerWaalsContact O-CG2 3.31Å; L1191-V1195 WeakPolarHBondContact O-CG2 3.44Å; L1191-V1195 PolarHBondContact O-N 3.28Å; L1191-L1224 HydrophobicContact CB-CD1 4.41Å; L1191-L1224 HydrophobicContact CB-CD2 3.96Å; L1191-L1224 HydrophobicContact CD1-CD2 4.45Å
1192	I	83.6	Confident	82.5	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-56.1	-46.2	173.9	-66.8	171.1	0	0	0	110.1	L1188 V1195 K1196 L1224 E1228 I1242 M1244	L1188-I1192 HydrophobicContact CD1-CD1 3.76Å; L1188-I1192 HydrophobicContact CD1-CG1 4.13Å; L1188-I1192 HydrophobicContact CG-CD1 3.86Å; L1188-I1192 WeakPolarHBondContact O-CB 3.48Å; L1188-I1192 VanDerWaalsContact O-CG1 3.24Å; L1188-I1192 WeakPolarHBondContact O-CG1 3.35Å; L1188-I1192 PolarHBondContact O-N 2.84Å; I1192-V1195 PolarHBondContact O-N 2.96Å; I1192-K1196 HydrophobicContact CG2-CD 4.17Å; I1192-K1196 WeakPolarHBondContact O-CB 3.32Å; I1192-K1196 PolarHBondContact O-N 2.95Å; I1192-L1224 HydrophobicContact CG1-CB 4.33Å; I1192-E1228 HydrophobicContact CD1-CB 4.33Å; I1192-E1228 HydrophobicContact CD1-CG 4.44Å; I1192-I1242 HydrophobicContact CB-CG2 3.92Å; I1192-I1242 HydrophobicContact CG2-CG2 3.52Å; I1192-M1244 HydrophobicContact CB-SD 4.06Å; I1192-M1244 HydrophobicContact CD1-CG 4.1Å; I1192-M1244 HydrophobicContact CG1-CG 3.86Å; I1192-M1244 HydrophobicContact CG1-SD 3.74Å; I1192-M1244 HydrophobicContact CG2-CG 4.14Å; I1192-M1244 HydrophobicContact CG2-SD 3.74Å
1193	K	84.4	Confident	83.2	Confident	44 Å²	44	29.2 Å²	29.2	19%	0.191	12%	0.124	C	C	.	.	H	α-helix	trans	-66.2	-43.6	-179.9	-172.8	168.9	170.9	-177.7	0	112.5	D1130 A1132 D1133 I1136 K1189 T1190 L1191 K1197 I1242	D1130-K1193 IonicContact OD2-NZ 2.7Å; D1130-K1193 PolarHBondContact OD2-NZ 3.04Å; A1132-K1193 HydrophobicContact CB-CB 3.9Å; A1132-K1193 HydrophobicContact CB-CD 3.86Å; A1132-K1193 HydrophobicContact CB-CG 3.79Å; D1133-K1193 WeakPolarHBondContact OD1-CE 3.39Å; D1133-K1193 IonicContact OD1-NZ 2.88Å; D1133-K1193 PolarHBondContact OD1-NZ 3.04Å; D1133-K1193 IonicContact OD2-NZ 2.77Å; D1133-K1193 PolarHBondContact OD2-NZ 2.86Å; I1136-K1193 HydrophobicContact CD1-CG 4.14Å; K1189-K1193 VanDerWaalsContact O-CB 3.25Å; K1189-K1193 WeakPolarHBondContact O-CB 3.3Å; K1189-K1193 PolarHBondContact O-N 3.06Å; T1190-K1193 PolarHBondContact O-N 3.04Å; L1191-K1193 VanDerWaalsContact C-N 3.28Å; L1191-K1193 PolarHBondContact O-N 2.59Å; K1193-K1197 WeakPolarHBondContact O-CB 3.14Å; K1193-K1197 WeakPolarHBondContact O-CG 3.17Å; K1193-K1197 PolarHBondContact O-N 3.41Å; K1193-K1197 VanDerWaalsContact O-N 3.13Å; K1193-I1242 HydrophobicContact CB-CD1 4.5Å; K1193-I1242 HydrophobicContact CD-CD1 4.12Å
1194	I	87.1	Confident	83.6	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-53.7	173.3	-73	172.3	0	0	0	110.3	V1094 A1132 Y1135 I1171 T1190 L1191 K1196 K1197 T1198	V1094-I1194 HydrophobicContact CG1-CD1 3.96Å; A1132-I1194 HydrophobicContact CB-CD1 4.37Å; A1132-I1194 HydrophobicContact CB-CG1 3.68Å; Y1135-I1194 HydrophobicContact CD1-CD1 4.3Å; Y1135-I1194 HydrophobicContact CD1-CG1 4.19Å; Y1135-I1194 HydrophobicContact CD1-CG2 3.94Å; Y1135-I1194 HydrophobicContact CE1-CG2 4.03Å; I1171-I1194 HydrophobicContact CD1-CG2 4.19Å; T1190-I1194 HydrophobicContact CG2-CD1 3.95Å; T1190-I1194 WeakPolarHBondContact O-CB 3.43Å; T1190-I1194 VanDerWaalsContact O-CG1 3.3Å; T1190-I1194 WeakPolarHBondContact O-CG1 3.4Å; T1190-I1194 PolarHBondContact O-N 2.85Å; L1191-I1194 PolarHBondContact O-N 2.78Å; I1194-K1196 PolarHBondContact O-N 2.83Å; I1194-K1197 PolarHBondContact O-N 2.95Å; I1194-T1198 WeakPolarHBondContact O-CB 3.45Å; I1194-T1198 PolarHBondContact O-N 2.97Å; I1194-T1198 PolarHBondContact O-OG1 2.88Å
1195	V	87.7	Confident	83.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-49.8	-173.8	170.2	0	0	0	0	111.1	M1168 I1171 L1191 I1192 T1198 Y1199 Y1217 V1220 L1224	M1168-V1195 HydrophobicContact CE-CG1 4.21Å; M1168-V1195 HydrophobicContact SD-CG1 4.4Å; M1168-V1195 HydrophobicContact SD-CG2 4.41Å; I1171-V1195 HydrophobicContact CD1-CG2 4.08Å; I1171-V1195 HydrophobicContact CG2-CG2 4.25Å; L1191-V1195 WeakPolarHBondContact O-CB 3.43Å; L1191-V1195 VanDerWaalsContact O-CG2 3.31Å; L1191-V1195 WeakPolarHBondContact O-CG2 3.44Å; L1191-V1195 PolarHBondContact O-N 3.28Å; I1192-V1195 PolarHBondContact O-N 2.96Å; V1195-T1198 PolarHBondContact O-N 3.22Å; V1195-Y1199 WeakPolarHBondContact O-CB 3.46Å; V1195-Y1199 PolarHBondContact O-N 2.99Å; V1195-Y1217 HydrophobicContact CG1-CD2 4.26Å; V1195-Y1217 HydrophobicContact CG1-CE2 3.66Å; V1195-V1220 HydrophobicContact CG1-CG1 4.37Å; V1195-V1220 HydrophobicContact CG2-CG1 3.89Å; V1195-L1224 HydrophobicContact CB-CD1 4.32Å; V1195-L1224 HydrophobicContact CG2-CD1 3.92Å
1196	K	86.4	Confident	84.2	Confident	22 Å²	22	33.1 Å²	33.1	10%	0.096	16%	0.156	C	C	.	.	H	α-helix	trans	-68.1	-39.5	-178.5	-72.2	-172.6	61.3	159.1	0	114.1	I1192 I1194 R1200 T1243 M1244 K1245 D1246	I1192-K1196 HydrophobicContact CG2-CD 4.17Å; I1192-K1196 WeakPolarHBondContact O-CB 3.32Å; I1192-K1196 PolarHBondContact O-N 2.95Å; I1194-K1196 PolarHBondContact O-N 2.83Å; K1196-R1200 WeakPolarHBondContact O-CG 3.45Å; K1196-R1200 PolarHBondContact O-N 2.96Å; K1196-R1200 VanDerWaalsContact O-N 3.16Å; K1196-T1243 VanDerWaalsContact CD-O 3.29Å; K1196-T1243 WeakPolarHBondContact CD-O 3.47Å; K1196-T1243 PolarHBondContact NZ-O 2.81Å; K1196-M1244 HydrophobicContact CD-SD 4.43Å; K1196-M1244 HydrophobicContact CG-SD 4.42Å; K1196-M1244 PolarHBondContact NZ-O 2.86Å; K1196-K1245 VanDerWaalsContact NZ-C 3.27Å; K1196-K1245 PolarHBondContact NZ-O 2.87Å; K1196-D1246 WeakPolarHBondContact CE-OD1 3.46Å; K1196-D1246 IonicContact NZ-OD1 3.55Å; K1196-D1246 PolarHBondContact NZ-OD1 2.77Å
1197	K	86.8	Confident	84.8	Confident	89 Å²	89	30.2 Å²	30.2	39%	0.387	15%	0.146	S	C	.	.	H	α-helix	trans	-72.7	-40.4	176.8	-67.3	-64.1	-173.9	-174.5	0	111.2	I1136 K1193 I1194 Y1199 R1200 D1201	I1136-K1197 HydrophobicContact CD1-CB 3.57Å; I1136-K1197 HydrophobicContact CD1-CG 3.83Å; I1136-K1197 HydrophobicContact CG1-CB 3.9Å; I1136-K1197 HydrophobicContact CG2-CB 4.23Å; K1193-K1197 WeakPolarHBondContact O-CB 3.14Å; K1193-K1197 WeakPolarHBondContact O-CG 3.17Å; K1193-K1197 PolarHBondContact O-N 3.41Å; K1193-K1197 VanDerWaalsContact O-N 3.13Å; I1194-K1197 PolarHBondContact O-N 2.95Å; K1197-Y1199 PolarHBondContact O-N 3.33Å; K1197-R1200 PolarHBondContact O-N 2.57Å; K1197-D1201 VanDerWaalsContact O-CB 3.25Å; K1197-D1201 WeakPolarHBondContact O-CB 3.26Å; K1197-D1201 PolarHBondContact O-N 3.11Å
1198	T	86.4	Confident	85.1	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-46.4	173.3	-55.7	0	0	0	0	111.3	Y1164 M1168 I1194 V1195 R1200 D1201 F1202	Y1164-T1198 HydrophobicContact CD2-CG2 4.2Å; Y1164-T1198 HydrophobicContact CE2-CG2 4.41Å; M1168-T1198 HydrophobicContact CE-CG2 3.99Å; I1194-T1198 WeakPolarHBondContact O-CB 3.45Å; I1194-T1198 PolarHBondContact O-N 2.97Å; I1194-T1198 PolarHBondContact O-OG1 2.88Å; V1195-T1198 PolarHBondContact O-N 3.22Å; T1198-R1200 PolarHBondContact O-N 3.46Å; T1198-D1201 PolarHBondContact O-N 2.92Å; T1198-F1202 HydrophobicContact CG2-CD2 3.56Å; T1198-F1202 HydrophobicContact CG2-CE2 3.68Å; T1198-F1202 WeakPolarHBondContact O-CB 3.29Å; T1198-F1202 WeakPolarHBondContact O-CD2 3.38Å; T1198-F1202 PolarHBondContact O-N 2.9Å
1199	Y	87.3	Confident	85.1	Confident	24 Å²	24	42.2 Å²	42.2	9%	0.094	21%	0.205	C	C	.	.	H	α-helix	trans	-55.1	-52.3	174.7	-178.1	-82.6	0	0	0	112	Y1164 V1195 K1197 R1203 L1212 N1213 Y1217	Y1164-Y1199 WeakPolarHBondContact OH-CD2 3.27Å; V1195-Y1199 WeakPolarHBondContact O-CB 3.46Å; V1195-Y1199 PolarHBondContact O-N 2.99Å; K1197-Y1199 PolarHBondContact O-N 3.33Å; Y1199-R1203 VanDerWaalsContact O-CB 3.31Å; Y1199-R1203 WeakPolarHBondContact O-CB 3.36Å; Y1199-R1203 PolarHBondContact O-N 3.36Å; Y1199-L1212 HydrophobicContact CD2-CB 4.3Å; Y1199-L1212 HydrophobicContact CD2-CD2 4.45Å; Y1199-L1212 HydrophobicContact CE2-CB 3.71Å; Y1199-N1213 PolarHBondContact OH-ND2 2.77Å; Y1199-N1213 PolarHBondContact OH-OD1 3.07Å; Y1199-N1213 VanDerWaalsContact OH-OD1 3.11Å; Y1199-Y1217 HydrophobicContact CD2-CD1 4.43Å; Y1199-Y1217 HydrophobicContact CD2-CD2 4.2Å; Y1199-Y1217 AromaticContact CD2-CE1 3.84Å; Y1199-Y1217 HydrophobicContact CD2-CE1 3.84Å; Y1199-Y1217 AromaticContact CD2-CE2 3.57Å; Y1199-Y1217 HydrophobicContact CD2-CE2 3.57Å; Y1199-Y1217 AromaticContact CD2-CZ 3.35Å; Y1199-Y1217 WeakPolarHBondContact CD2-OH 3.42Å; Y1199-Y1217 HydrophobicContact CE2-CD1 4.32Å; Y1199-Y1217 AromaticContact CE2-CE1 3.73Å; Y1199-Y1217 HydrophobicContact CE2-CE1 3.73Å; Y1199-Y1217 HydrophobicContact CE2-CE2 4.32Å; Y1199-Y1217 AromaticContact CE2-CZ 3.73Å; Y1199-Y1217 HydrophobicContact CG-CE2 4.28Å
1200	R	86.7	Confident	85.2	Confident	47 Å²	47	42.9 Å²	42.9	18%	0.177	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-39.7	-178.7	-69	176.7	-177.6	-147.3	6.7	112.5	K1196 K1197 T1198 R1203 L1204 D1246 D1248	K1196-R1200 WeakPolarHBondContact O-CG 3.45Å; K1196-R1200 PolarHBondContact O-N 2.96Å; K1196-R1200 VanDerWaalsContact O-N 3.16Å; K1197-R1200 PolarHBondContact O-N 2.57Å; T1198-R1200 PolarHBondContact O-N 3.46Å; R1200-R1203 PolarHBondContact O-N 3.06Å; R1200-L1204 WeakPolarHBondContact O-CG 3.25Å; R1200-L1204 PolarHBondContact O-N 2.92Å; R1200-L1204 VanDerWaalsContact O-N 3.07Å; R1200-D1246 IonicContact CZ-OD1 2.68Å; R1200-D1246 IonicContact NE-OD1 2.77Å; R1200-D1246 IonicContact NH2-OD1 2.83Å; R1200-D1246 PolarHBondContact NH2-OD1 2.87Å; R1200-D1248 IonicContact CZ-OD1 2.69Å; R1200-D1248 VanDerWaalsContact CZ-OD1 3.25Å; R1200-D1248 IonicContact CZ-OD2 3.16Å; R1200-D1248 VanDerWaalsContact CZ-OD2 3.26Å; R1200-D1248 IonicContact NH1-OD1 3.38Å; R1200-D1248 PolarHBondContact NH1-OD1 3.38Å; R1200-D1248 IonicContact NH1-OD2 2.7Å; R1200-D1248 PolarHBondContact NH1-OD2 2.86Å; R1200-D1248 VanDerWaalsContact NH2-CG 3.27Å; R1200-D1248 IonicContact NH2-OD1 3.45Å; R1200-D1248 PolarHBondContact NH2-OD1 2.99Å; R1200-D1248 IonicContact NH2-OD2 2.73Å; R1200-D1248 PolarHBondContact NH2-OD2 2.82Å
1201	D	87.6	Confident	85.3	Confident	11 Å²	11	44 Å²	44	6%	0.059	23%	0.233	C	C	.	.	H	α-helix	trans	-70.8	-42.6	-178.1	-65.5	-13.9	0	0	0	111.7	R1140 K1197 T1198 L1204 Q1205	R1140-D1201 IonicContact CZ-OD1 2.86Å; R1140-D1201 IonicContact CZ-OD2 3.16Å; R1140-D1201 IonicContact NE-OD1 2.72Å; R1140-D1201 PolarHBondContact NE-OD1 2.77Å; R1140-D1201 IonicContact NE-OD2 2.79Å; R1140-D1201 PolarHBondContact NE-OD2 3.23Å; R1140-D1201 IonicContact NH2-OD1 3.55Å; R1140-D1201 PolarHBondContact NH2-OD1 3.41Å; R1140-D1201 IonicContact NH2-OD2 2.68Å; R1140-D1201 PolarHBondContact NH2-OD2 2.69Å; K1197-D1201 VanDerWaalsContact O-CB 3.25Å; K1197-D1201 WeakPolarHBondContact O-CB 3.26Å; K1197-D1201 PolarHBondContact O-N 3.11Å; T1198-D1201 PolarHBondContact O-N 2.92Å; D1201-L1204 PolarHBondContact O-N 2.86Å; D1201-Q1205 VanDerWaalsContact O-CG 3.25Å; D1201-Q1205 WeakPolarHBondContact O-CG 3.4Å; D1201-Q1205 PolarHBondContact O-N 3.02Å
1202	F	90.6	Very high	85.4	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-70.2	-33	174.2	-83	-87.2	0	0	0	112.7	V1139 Q1143 F1160 W1163 Y1164 T1198 L1204 Q1205 G1206 V1207 L1212	V1139-F1202 HydrophobicContact CG1-CD2 4.3Å; V1139-F1202 HydrophobicContact CG1-CE2 3.55Å; V1139-F1202 HydrophobicContact CG1-CZ 4.1Å; Q1143-F1202 VanDerWaalsContact NE2-CD1 3.34Å; Q1143-F1202 VanDerWaalsContact NE2-CE1 3.32Å; F1160-F1202 HydrophobicContact CB-CD1 4Å; F1160-F1202 HydrophobicContact CB-CE1 4.03Å; F1160-F1202 HydrophobicContact CD1-CE1 4.32Å; F1160-F1202 HydrophobicContact CG-CD1 4.49Å; F1160-F1202 HydrophobicContact CG-CE1 4.32Å; W1163-F1202 HydrophobicContact CB-CE1 4.16Å; W1163-F1202 HydrophobicContact CB-CZ 4.25Å; W1163-F1202 HydrophobicContact CD2-CE1 4.03Å; W1163-F1202 AromaticContact CD2-CZ 3.5Å; W1163-F1202 HydrophobicContact CD2-CZ 3.5Å; W1163-F1202 VanDerWaalsContact CD2-CZ 3.5Å; W1163-F1202 AromaticContact CE2-CZ 3.9Å; W1163-F1202 AromaticContact CE3-CE1 3.88Å; W1163-F1202 HydrophobicContact CE3-CE1 3.88Å; W1163-F1202 AromaticContact CE3-CZ 3.64Å; W1163-F1202 HydrophobicContact CE3-CZ 3.64Å; W1163-F1202 HydrophobicContact CG-CE1 4.19Å; W1163-F1202 AromaticContact CG-CZ 3.8Å; W1163-F1202 HydrophobicContact CG-CZ 3.8Å; W1163-F1202 HydrophobicContact CZ2-CZ 4.4Å; W1163-F1202 HydrophobicContact CZ3-CZ 4.15Å; Y1164-F1202 HydrophobicContact CD2-CB 3.81Å; Y1164-F1202 AromaticContact CD2-CD2 3.94Å; Y1164-F1202 HydrophobicContact CD2-CD2 3.94Å; Y1164-F1202 AromaticContact CD2-CG 3.87Å; Y1164-F1202 HydrophobicContact CD2-CG 3.87Å; Y1164-F1202 HydrophobicContact CG-CB 4.4Å; Y1164-F1202 HydrophobicContact CG-CG 4.37Å; T1198-F1202 HydrophobicContact CG2-CD2 3.56Å; T1198-F1202 HydrophobicContact CG2-CE2 3.68Å; T1198-F1202 WeakPolarHBondContact O-CB 3.29Å; T1198-F1202 WeakPolarHBondContact O-CD2 3.38Å; T1198-F1202 PolarHBondContact O-N 2.9Å; F1202-L1204 VanDerWaalsContact C-N 3.34Å; F1202-L1204 PolarHBondContact O-N 3.48Å; F1202-Q1205 PolarHBondContact O-N 2.83Å; F1202-Q1205 VanDerWaalsContact O-N 3.1Å; F1202-G1206 PolarHBondContact O-N 2.89Å; F1202-V1207 HydrophobicContact CB-CB 4.26Å; F1202-V1207 HydrophobicContact CB-CG2 3.91Å; F1202-V1207 HydrophobicContact CD1-CG2 3.73Å; F1202-V1207 HydrophobicContact CG-CG2 4.31Å; F1202-V1207 WeakPolarHBondContact O-CB 3.37Å; F1202-V1207 PolarHBondContact O-N 2.82Å; F1202-L1212 HydrophobicContact CB-CD2 4.32Å
1203	R	86.8	Confident	85.4	Confident	124 Å²	124	47.5 Å²	47.5	47%	0.468	25%	0.252	S	S	.	.	H	α-helix	trans	-60.4	-41.7	170.8	-172.1	177.6	71.7	173.9	1.8	112.1	Y1199 R1200 Q1205 G1206 L1212	Y1199-R1203 VanDerWaalsContact O-CB 3.31Å; Y1199-R1203 WeakPolarHBondContact O-CB 3.36Å; Y1199-R1203 PolarHBondContact O-N 3.36Å; R1200-R1203 PolarHBondContact O-N 3.06Å; R1203-Q1205 PolarHBondContact O-N 3.15Å; R1203-G1206 PolarHBondContact O-N 3.24Å; R1203-L1212 HydrophobicContact CB-CD1 3.62Å; R1203-L1212 HydrophobicContact CB-CD2 4.5Å; R1203-L1212 HydrophobicContact CG-CD1 3.7Å
1204	L	86.6	Confident	85.6	Confident	139 Å²	139	46.7 Å²	46.7	73%	0.728	25%	0.252	S	S	*	.	H	α-helix	trans	-68.5	-16.7	175.5	-72	169.2	0	0	0	113.5	R1200 D1201 F1202	R1200-L1204 WeakPolarHBondContact O-CG 3.25Å; R1200-L1204 PolarHBondContact O-N 2.92Å; R1200-L1204 VanDerWaalsContact O-N 3.07Å; D1201-L1204 PolarHBondContact O-N 2.86Å; F1202-L1204 VanDerWaalsContact C-N 3.34Å; F1202-L1204 PolarHBondContact O-N 3.48Å
1205	Q	84.3	Confident	85.5	Confident	25 Å²	25	55.4 Å²	55.4	12%	0.117	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	3.4	-178.7	-69.7	-75.8	-2.6	0	0	113.8	Q1143 R1147 F1160 D1201 F1202 R1203	Q1143-Q1205 HydrophobicContact CB-CG 4.31Å; Q1143-Q1205 HydrophobicContact CG-CG 4.43Å; R1147-Q1205 PolarHBondContact NH2-O 2.95Å; F1160-Q1205 HydrophobicContact CD2-CB 3.77Å; F1160-Q1205 HydrophobicContact CE2-CB 3.84Å; F1160-Q1205 HydrophobicContact CE2-CG 4.3Å; D1201-Q1205 VanDerWaalsContact O-CG 3.25Å; D1201-Q1205 WeakPolarHBondContact O-CG 3.4Å; D1201-Q1205 PolarHBondContact O-N 3.02Å; F1202-Q1205 PolarHBondContact O-N 2.83Å; F1202-Q1205 VanDerWaalsContact O-N 3.1Å; R1203-Q1205 PolarHBondContact O-N 3.15Å
1206	G	80.2	Confident	85.5	Confident	40 Å²	40	57.8 Å²	57.8	41%	0.412	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.5	1.3	173.1	0	0	0	0	0	116.4	F1202 R1203 L1208	F1202-G1206 PolarHBondContact O-N 2.89Å; R1203-G1206 PolarHBondContact O-N 3.24Å; G1206-L1208 PolarHBondContact O-N 2.8Å
1207	V	86.1	Confident	85.6	Confident	8 Å²	8	57.2 Å²	57.2	5%	0.048	30%	0.302	C	S	.	.			trans	-62.7	129	179.3	174.6	0	0	0	0	111	F1160 D1161 Y1164 F1202 T1211 L1212	F1160-V1207 HydrophobicContact CB-CG2 3.7Å; D1161-V1207 WeakPolarHBondContact OD1-CG1 3.31Å; Y1164-V1207 HydrophobicContact CD1-CG1 4.47Å; Y1164-V1207 HydrophobicContact CG-CG1 4.44Å; F1202-V1207 HydrophobicContact CB-CB 4.26Å; F1202-V1207 HydrophobicContact CB-CG2 3.91Å; F1202-V1207 HydrophobicContact CD1-CG2 3.73Å; F1202-V1207 HydrophobicContact CG-CG2 4.31Å; F1202-V1207 WeakPolarHBondContact O-CB 3.37Å; F1202-V1207 PolarHBondContact O-N 2.82Å; V1207-T1211 HydrophobicContact CG1-CG2 3.89Å; V1207-L1212 HydrophobicContact CB-CD2 4.1Å; V1207-L1212 HydrophobicContact CB-CG 4.35Å; V1207-L1212 HydrophobicContact CG1-CD2 3.7Å; V1207-L1212 HydrophobicContact CG1-CG 3.84Å; V1207-L1212 WeakPolarHBondContact O-CD1 3.38Å
1208	L	85.2	Confident	85.6	Confident	115 Å²	115	55.6 Å²	55.6	60%	0.602	30%	0.298	S	S	*	.			trans	-63.8	144.8	-173.7	-66.3	173.2	0	0	0	112.3	G1206 G1210 T1211 L1212	G1206-L1208 PolarHBondContact O-N 2.8Å; L1208-G1210 PolarHBondContact O-N 2.89Å; L1208-G1210 VanDerWaalsContact O-N 3.17Å; L1208-T1211 WeakPolarHBondContact O-CA 3.48Å; L1208-T1211 WeakPolarHBondContact O-CB 3.3Å; L1208-T1211 PolarHBondContact O-N 2.88Å; L1208-L1212 PolarHBondContact O-N 2.8Å
1209	E	80.3	Confident	85.6	Confident	137 Å²	137	59.2 Å²	59.2	64%	0.64	32%	0.32	S	S	*	.	H	α-helix	trans	-58.5	-32.6	180	-65	-164.1	142.5	0	0	113.6	T1211 L1212 N1213	E1209-T1211 VanDerWaalsContact C-N 3.28Å; E1209-T1211 PolarHBondContact O-N 2.83Å; E1209-L1212 PolarHBondContact O-N 2.8Å; E1209-N1213 WeakPolarHBondContact O-CB 3.26Å; E1209-N1213 PolarHBondContact O-N 2.79Å; E1209-N1213 PolarHBondContact O-ND2 3.36Å
1210	G	79	Confident	85.5	Confident	68 Å²	68	58.1 Å²	58.1	70%	0.701	32%	0.316	S	S	*	.	H	α-helix	trans	-68	-25	173.7	0	0	0	0	0	114.1	L1208	L1208-G1210 PolarHBondContact O-N 2.89Å; L1208-G1210 VanDerWaalsContact O-N 3.17Å
1211	T	84.3	Confident	85.5	Confident	26 Å²	26	58.3 Å²	58.3	16%	0.16	32%	0.318	C	S	.	.	H	α-helix	trans	-81.4	-45.7	171.6	-51	0	0	0	0	110.5	D1161 Y1164 S1165 V1207 L1208 E1209 S1214	D1161-T1211 HydrophobicContact CB-CG2 4.25Å; D1161-T1211 VanDerWaalsContact OD1-CB 3.23Å; D1161-T1211 WeakPolarHBondContact OD1-CB 3.5Å; D1161-T1211 VanDerWaalsContact OD1-CG2 3.31Å; D1161-T1211 WeakPolarHBondContact OD1-CG2 3.39Å; D1161-T1211 PolarHBondContact OD1-OG1 2.68Å; Y1164-T1211 HydrophobicContact CD1-CG2 4.18Å; Y1164-T1211 WeakPolarHBondContact CE1-O 3.47Å; S1165-T1211 VanDerWaalsContact OG-CG2 3.24Å; S1165-T1211 WeakPolarHBondContact OG-CG2 3.1Å; V1207-T1211 HydrophobicContact CG1-CG2 3.89Å; L1208-T1211 WeakPolarHBondContact O-CA 3.48Å; L1208-T1211 WeakPolarHBondContact O-CB 3.3Å; L1208-T1211 PolarHBondContact O-N 2.88Å; E1209-T1211 VanDerWaalsContact C-N 3.28Å; E1209-T1211 PolarHBondContact O-N 2.83Å; T1211-S1214 WeakPolarHBondContact O-CB 3.47Å; T1211-S1214 PolarHBondContact O-N 3Å
1212	L	85.1	Confident	85.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-57	-54.5	178	-69	174.3	0	0	0	111.5	Y1164 Y1199 F1202 R1203 V1207 L1208 E1209 S1214 Y1217	Y1164-L1212 HydrophobicContact CD1-CD2 4.47Å; Y1164-L1212 HydrophobicContact CD2-CD2 4.22Å; Y1164-L1212 HydrophobicContact CE1-CD2 4.19Å; Y1164-L1212 WeakPolarHBondContact CE1-O 3.32Å; Y1164-L1212 HydrophobicContact CE2-CD2 3.92Å; Y1164-L1212 HydrophobicContact CG-CD2 4.48Å; Y1164-L1212 PolarHBondContact OH-O 2.66Å; Y1199-L1212 HydrophobicContact CD2-CB 4.3Å; Y1199-L1212 HydrophobicContact CD2-CD2 4.45Å; Y1199-L1212 HydrophobicContact CE2-CB 3.71Å; F1202-L1212 HydrophobicContact CB-CD2 4.32Å; R1203-L1212 HydrophobicContact CB-CD1 3.62Å; R1203-L1212 HydrophobicContact CB-CD2 4.5Å; R1203-L1212 HydrophobicContact CG-CD1 3.7Å; V1207-L1212 HydrophobicContact CB-CD2 4.1Å; V1207-L1212 HydrophobicContact CB-CG 4.35Å; V1207-L1212 HydrophobicContact CG1-CD2 3.7Å; V1207-L1212 HydrophobicContact CG1-CG 3.84Å; V1207-L1212 WeakPolarHBondContact O-CD1 3.38Å; L1208-L1212 PolarHBondContact O-N 2.8Å; E1209-L1212 PolarHBondContact O-N 2.8Å; L1212-S1214 PolarHBondContact O-N 3.27Å; L1212-S1214 VanDerWaalsContact O-N 3.14Å; L1212-Y1217 VanDerWaalsContact O-CB 3.31Å; L1212-Y1217 WeakPolarHBondContact O-CB 3.25Å
1213	N	85.1	Confident	85.2	Confident	75 Å²	75	68.1 Å²	68.1	40%	0.401	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	40.6	-179.2	-62.5	-48.7	0	0	0	112.4	Y1199 E1209	Y1199-N1213 PolarHBondContact OH-ND2 2.77Å; Y1199-N1213 PolarHBondContact OH-OD1 3.07Å; Y1199-N1213 VanDerWaalsContact OH-OD1 3.11Å; E1209-N1213 WeakPolarHBondContact O-CB 3.26Å; E1209-N1213 PolarHBondContact O-N 2.79Å; E1209-N1213 PolarHBondContact O-ND2 3.36Å
1214	S	88.4	Confident	85.1	Confident	27 Å²	27	62.2 Å²	62.2	19%	0.189	33%	0.332	C	S	.	.			trans	-63.9	152.4	175.7	64.9	0	0	0	0	111.7	T1211 L1212 T1216 Y1217 D1218	T1211-S1214 WeakPolarHBondContact O-CB 3.47Å; T1211-S1214 PolarHBondContact O-N 3Å; L1212-S1214 PolarHBondContact O-N 3.27Å; L1212-S1214 VanDerWaalsContact O-N 3.14Å; S1214-T1216 PolarHBondContact O-N 2.81Å; S1214-Y1217 WeakPolarHBondContact O-CA 3.43Å; S1214-Y1217 WeakPolarHBondContact O-CB 3.41Å; S1214-Y1217 PolarHBondContact O-N 2.82Å; S1214-Y1217 PolarHBondContact OG-N 2.84Å; S1214-D1218 PolarHBondContact O-N 2.83Å
1215	K	85.8	Confident	84.9	Confident	185 Å²	185	58.1 Å²	58.1	80%	0.804	31%	0.313	S	S	*	.	H	α-helix	trans	-53.2	-27.3	173.1	-63.9	-178.7	-178.7	177.9	0	112.9	T1219	K1215-T1219 WeakPolarHBondContact O-CB 3.3Å; K1215-T1219 PolarHBondContact O-N 2.87Å; K1215-T1219 VanDerWaalsContact O-N 3.1Å; K1215-T1219 PolarHBondContact O-OG1 2.93Å
1216	T	87.1	Confident	84.8	Confident	50 Å²	50	61.2 Å²	61.2	31%	0.307	33%	0.333	S	S	.	.	H	α-helix	trans	-73.5	-44.9	176.1	-58.2	0	0	0	0	111.5	K1169 C1172 S1214 T1219 V1220	K1169-T1216 HydrophobicContact CB-CG2 4.36Å; C1172-T1216 HydrophobicContact CB-CG2 3.61Å; S1214-T1216 PolarHBondContact O-N 2.81Å; T1216-T1219 PolarHBondContact O-N 2.82Å; T1216-V1220 WeakPolarHBondContact O-CG2 3.24Å; T1216-V1220 PolarHBondContact O-N 2.82Å
1217	Y	88.4	Confident	84.7	Confident	10 Å²	10	59.7 Å²	59.7	4%	0.039	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-47.6	170.8	174.5	-102.2	0	0	0	111.3	Y1164 M1168 V1195 Y1199 L1212 S1214 T1219 V1220 H1221	Y1164-Y1217 VanDerWaalsContact OH-CD2 3.24Å; Y1164-Y1217 WeakPolarHBondContact OH-CD2 3.2Å; M1168-Y1217 HydrophobicContact CE-CD2 4.21Å; M1168-Y1217 HydrophobicContact CE-CE2 4.48Å; M1168-Y1217 HydrophobicContact SD-CD2 4.16Å; V1195-Y1217 HydrophobicContact CG1-CD2 4.26Å; V1195-Y1217 HydrophobicContact CG1-CE2 3.66Å; Y1199-Y1217 HydrophobicContact CD2-CD1 4.43Å; Y1199-Y1217 HydrophobicContact CD2-CD2 4.2Å; Y1199-Y1217 AromaticContact CD2-CE1 3.84Å; Y1199-Y1217 HydrophobicContact CD2-CE1 3.84Å; Y1199-Y1217 AromaticContact CD2-CE2 3.57Å; Y1199-Y1217 HydrophobicContact CD2-CE2 3.57Å; Y1199-Y1217 AromaticContact CD2-CZ 3.35Å; Y1199-Y1217 WeakPolarHBondContact CD2-OH 3.42Å; Y1199-Y1217 HydrophobicContact CE2-CD1 4.32Å; Y1199-Y1217 AromaticContact CE2-CE1 3.73Å; Y1199-Y1217 HydrophobicContact CE2-CE1 3.73Å; Y1199-Y1217 HydrophobicContact CE2-CE2 4.32Å; Y1199-Y1217 AromaticContact CE2-CZ 3.73Å; Y1199-Y1217 HydrophobicContact CG-CE2 4.28Å; L1212-Y1217 VanDerWaalsContact O-CB 3.31Å; L1212-Y1217 WeakPolarHBondContact O-CB 3.25Å; S1214-Y1217 WeakPolarHBondContact O-CA 3.43Å; S1214-Y1217 WeakPolarHBondContact O-CB 3.41Å; S1214-Y1217 PolarHBondContact O-N 2.82Å; S1214-Y1217 PolarHBondContact OG-N 2.84Å; Y1217-T1219 PolarHBondContact O-N 2.75Å; Y1217-V1220 PolarHBondContact O-N 2.88Å; Y1217-V1220 VanDerWaalsContact O-N 3.15Å; Y1217-H1221 AromaticContact CZ-CD2 3.95Å; Y1217-H1221 WeakPolarHBondContact O-CB 3.43Å; Y1217-H1221 PolarHBondContact O-N 3.02Å
1218	D	85.8	Confident	84.3	Confident	55 Å²	55	60.7 Å²	60.7	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-51.4	-42.4	173.7	-108	40.6	0	0	0	112.9	S1214 R1222	S1214-D1218 PolarHBondContact O-N 2.83Å; D1218-R1222 WeakPolarHBondContact O-CB 3.44Å; D1218-R1222 WeakPolarHBondContact O-CD 3.35Å; D1218-R1222 WeakPolarHBondContact O-CG 3.43Å; D1218-R1222 PolarHBondContact O-N 2.82Å; D1218-R1222 IonicContact OD2-CZ 2.79Å; D1218-R1222 IonicContact OD2-NE 2.71Å; D1218-R1222 IonicContact OD2-NH2 3.86Å; D1218-R1222 PolarHBondContact OD2-NH2 2.81Å
1219	T	86.4	Confident	83.8	Confident	78 Å²	78	58 Å²	58	48%	0.479	31%	0.314	S	S	.	.	H	α-helix	trans	-69.5	-44.9	180	-56.3	0	0	0	0	111.4	K1215 T1216 Y1217 R1223	K1215-T1219 WeakPolarHBondContact O-CB 3.3Å; K1215-T1219 PolarHBondContact O-N 2.87Å; K1215-T1219 VanDerWaalsContact O-N 3.1Å; K1215-T1219 PolarHBondContact O-OG1 2.93Å; T1216-T1219 PolarHBondContact O-N 2.82Å; Y1217-T1219 PolarHBondContact O-N 2.75Å; T1219-R1223 PolarHBondContact O-N 2.9Å; T1219-R1223 VanDerWaalsContact O-N 3.13Å
1220	V	86.8	Confident	83.4	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-49.9	174.4	170	0	0	0	0	110.8	I1171 C1172 L1175 V1195 T1216 Y1217 R1222 R1223 L1224	I1171-V1220 HydrophobicContact CG2-CG1 3.77Å; I1171-V1220 HydrophobicContact CG2-CG2 4.15Å; C1172-V1220 HydrophobicContact CB-CG2 3.54Å; L1175-V1220 HydrophobicContact CD1-CB 4.4Å; L1175-V1220 HydrophobicContact CD1-CG1 3.98Å; L1175-V1220 HydrophobicContact CD1-CG2 4.28Å; V1195-V1220 HydrophobicContact CG1-CG1 4.37Å; V1195-V1220 HydrophobicContact CG2-CG1 3.89Å; T1216-V1220 WeakPolarHBondContact O-CG2 3.24Å; T1216-V1220 PolarHBondContact O-N 2.82Å; Y1217-V1220 PolarHBondContact O-N 2.88Å; Y1217-V1220 VanDerWaalsContact O-N 3.15Å; V1220-R1222 PolarHBondContact O-N 2.62Å; V1220-R1223 PolarHBondContact O-N 2.86Å; V1220-L1224 HydrophobicContact CG1-CD1 3.81Å; V1220-L1224 HydrophobicContact CG1-CG 4.43Å; V1220-L1224 WeakPolarHBondContact O-CG 3.18Å; V1220-L1224 PolarHBondContact O-N 2.89Å
1221	H	86.8	Confident	82.9	Confident	50 Å²	50	51.6 Å²	51.6	23%	0.231	27%	0.271	C	S	.	.	H	α-helix	trans	-57.5	-51.8	-179.5	-174.3	-54.2	0	0	0	110.7	Y1217 R1223 L1224 T1225 M1244	Y1217-H1221 AromaticContact CZ-CD2 3.95Å; Y1217-H1221 WeakPolarHBondContact O-CB 3.43Å; Y1217-H1221 PolarHBondContact O-N 3.02Å; H1221-R1223 PolarHBondContact O-N 2.69Å; H1221-L1224 PolarHBondContact O-N 2.91Å; H1221-T1225 PolarHBondContact CE1-OG1 2.86Å; H1221-T1225 PolarHBondContact ND1-OG1 2.89Å; H1221-T1225 VanDerWaalsContact ND1-OG1 3.14Å; H1221-T1225 PolarHBondContact O-N 2.69Å; H1221-T1225 PolarHBondContact O-OG1 3.42Å; H1221-M1244 HydrophobicContact CB-CE 4.05Å; H1221-M1244 WeakPolarHBondContact CD2-CE 3.36Å; H1221-M1244 VanDerWaalsContact CG-CE 3.44Å; H1221-M1244 WeakPolarHBondContact NE2-CE 3.47Å
1222	R	85.2	Confident	82.1	Confident	160 Å²	160	53.3 Å²	53.3	60%	0.604	28%	0.284	S	S	*	.	H	α-helix	trans	-61.1	-41.8	-179.5	-68.9	167.5	-161.5	-157.6	6.4	112.1	D1218 V1220 T1225 V1226	D1218-R1222 WeakPolarHBondContact O-CB 3.44Å; D1218-R1222 WeakPolarHBondContact O-CD 3.35Å; D1218-R1222 WeakPolarHBondContact O-CG 3.43Å; D1218-R1222 PolarHBondContact O-N 2.82Å; D1218-R1222 IonicContact OD2-CZ 2.79Å; D1218-R1222 IonicContact OD2-NE 2.71Å; D1218-R1222 IonicContact OD2-NH2 3.86Å; D1218-R1222 PolarHBondContact OD2-NH2 2.81Å; V1220-R1222 PolarHBondContact O-N 2.62Å; R1222-T1225 PolarHBondContact O-N 2.82Å; R1222-V1226 VanDerWaalsContact O-CG2 3.32Å; R1222-V1226 WeakPolarHBondContact O-CG2 3.22Å; R1222-V1226 PolarHBondContact O-N 2.88Å
1223	R	85.2	Confident	81	Confident	58 Å²	58	59.4 Å²	59.4	22%	0.219	32%	0.321	C	S	.	.	H	α-helix	trans	-63.7	-45.6	175.4	-179.4	60.8	-177.5	-124.3	-1.9	111.2	R1178 L1179 L1181 T1219 V1220 H1221 T1225 V1226 E1227	R1178-R1223 PolarHBondContact O-NH2 3.2Å; L1179-R1223 PolarHBondContact O-NH1 3.21Å; L1179-R1223 PolarHBondContact O-NH2 3.31Å; L1181-R1223 PolarHBondContact O-NH2 3.46Å; T1219-R1223 PolarHBondContact O-N 2.9Å; T1219-R1223 VanDerWaalsContact O-N 3.13Å; V1220-R1223 PolarHBondContact O-N 2.86Å; H1221-R1223 PolarHBondContact O-N 2.69Å; R1223-T1225 PolarHBondContact O-N 2.99Å; R1223-V1226 PolarHBondContact O-N 2.77Å; R1223-E1227 HydrophobicContact CG-CG 4.34Å; R1223-E1227 IonicContact CZ-OE1 3.64Å; R1223-E1227 IonicContact NE-OE1 3.94Å; R1223-E1227 PolarHBondContact NE-OE1 2.66Å; R1223-E1227 IonicContact NH2-OE1 2.68Å; R1223-E1227 PolarHBondContact NH2-OE1 2.72Å; R1223-E1227 VanDerWaalsContact O-CG 3.26Å; R1223-E1227 WeakPolarHBondContact O-CG 3.06Å; R1223-E1227 PolarHBondContact O-N 3Å
1224	L	84.1	Confident	79.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.9	-38.4	179	-67.9	175.4	0	0	0	112.6	L1175 L1183 L1188 L1191 I1192 V1195 V1220 H1221 E1227 E1228 M1244	L1175-L1224 HydrophobicContact CD1-CD2 4.39Å; L1175-L1224 HydrophobicContact CD1-CG 4.34Å; L1175-L1224 HydrophobicContact CD2-CD2 4.38Å; L1183-L1224 HydrophobicContact CD1-CD2 4.24Å; L1188-L1224 HydrophobicContact CD1-CD2 3.93Å; L1191-L1224 HydrophobicContact CB-CD1 4.41Å; L1191-L1224 HydrophobicContact CB-CD2 3.96Å; L1191-L1224 HydrophobicContact CD1-CD2 4.45Å; I1192-L1224 HydrophobicContact CG1-CB 4.33Å; V1195-L1224 HydrophobicContact CB-CD1 4.32Å; V1195-L1224 HydrophobicContact CG2-CD1 3.92Å; V1220-L1224 HydrophobicContact CG1-CD1 3.81Å; V1220-L1224 HydrophobicContact CG1-CG 4.43Å; V1220-L1224 WeakPolarHBondContact O-CG 3.18Å; V1220-L1224 PolarHBondContact O-N 2.89Å; H1221-L1224 PolarHBondContact O-N 2.91Å; L1224-E1227 PolarHBondContact O-N 2.86Å; L1224-E1228 WeakPolarHBondContact O-CB 3.49Å; L1224-E1228 PolarHBondContact O-N 3.17Å; L1224-M1244 HydrophobicContact CB-CE 4.44Å; L1224-M1244 HydrophobicContact CB-CG 3.94Å; L1224-M1244 HydrophobicContact CB-SD 3.81Å; L1224-M1244 HydrophobicContact CD1-SD 4.1Å
1225	T	82.8	Confident	78.1	Confident	53 Å²	53	63.6 Å²	63.6	33%	0.325	34%	0.344	S	S	.	.	H	α-helix	trans	-65.2	-38.1	174.2	-52.8	0	0	0	0	112.2	H1221 R1222 R1223 A1229	H1221-T1225 PolarHBondContact CE1-OG1 2.86Å; H1221-T1225 PolarHBondContact ND1-OG1 2.89Å; H1221-T1225 VanDerWaalsContact ND1-OG1 3.14Å; H1221-T1225 PolarHBondContact O-N 2.69Å; H1221-T1225 PolarHBondContact O-OG1 3.42Å; R1222-T1225 PolarHBondContact O-N 2.82Å; R1223-T1225 PolarHBondContact O-N 2.99Å; T1225-A1229 WeakPolarHBondContact O-CB 3.34Å; T1225-A1229 PolarHBondContact O-N 3.34Å
1226	V	82.4	Confident	76.3	Confident	89 Å²	89	59.2 Å²	59.2	54%	0.539	35%	0.35	S	S	.	.	H	α-helix	trans	-68.9	-44.1	176	170.1	0	0	0	0	111.2	R1222 R1223 E1228 A1229 T1230	R1222-V1226 VanDerWaalsContact O-CG2 3.32Å; R1222-V1226 WeakPolarHBondContact O-CG2 3.22Å; R1222-V1226 PolarHBondContact O-N 2.88Å; R1223-V1226 PolarHBondContact O-N 2.77Å; V1226-E1228 VanDerWaalsContact C-N 3.33Å; V1226-E1228 PolarHBondContact O-N 2.96Å; V1226-A1229 PolarHBondContact O-N 2.56Å; V1226-T1230 PolarHBondContact O-N 3.26Å; V1226-T1230 PolarHBondContact O-OG1 2.93Å; V1226-T1230 VanDerWaalsContact O-OG1 3.04Å
1227	E	77.7	Confident	74.6	Confident	9 Å²	9	59.7 Å²	59.7	4%	0.042	37%	0.365	C	S	.	.	H	α-helix	trans	-60.8	-40.2	174.6	-69.3	-82.8	175.2	0	0	112	L1183 L1188 R1223 L1224 T1230 A1231	L1183-E1227 HydrophobicContact CD1-CB 4.46Å; L1183-E1227 HydrophobicContact CD1-CG 3.89Å; L1183-E1227 HydrophobicContact CG-CG 4.21Å; L1183-E1227 PolarHBondContact N-OE2 2.74Å; L1188-E1227 HydrophobicContact CD1-CB 3.62Å; L1188-E1227 HydrophobicContact CD2-CB 4.12Å; R1223-E1227 HydrophobicContact CG-CG 4.34Å; R1223-E1227 IonicContact CZ-OE1 3.64Å; R1223-E1227 IonicContact NE-OE1 3.94Å; R1223-E1227 PolarHBondContact NE-OE1 2.66Å; R1223-E1227 IonicContact NH2-OE1 2.68Å; R1223-E1227 PolarHBondContact NH2-OE1 2.72Å; R1223-E1227 VanDerWaalsContact O-CG 3.26Å; R1223-E1227 WeakPolarHBondContact O-CG 3.06Å; R1223-E1227 PolarHBondContact O-N 3Å; L1224-E1227 PolarHBondContact O-N 2.86Å; E1227-T1230 PolarHBondContact O-N 2.8Å; E1227-A1231 VanDerWaalsContact O-CB 3.23Å; E1227-A1231 WeakPolarHBondContact O-CB 3.39Å; E1227-A1231 PolarHBondContact O-N 2.92Å
1228	E	77.9	Confident	72.8	Confident	29 Å²	29	60.4 Å²	60.4	14%	0.136	38%	0.376	C	S	.	.	H	α-helix	trans	-63.4	-44.3	174.2	-172.6	-171.9	157.4	0	0	112.2	I1192 L1224 V1226 T1230 A1231 S1232 L1239 T1243 M1244	I1192-E1228 HydrophobicContact CD1-CB 4.33Å; I1192-E1228 HydrophobicContact CD1-CG 4.44Å; L1224-E1228 WeakPolarHBondContact O-CB 3.49Å; L1224-E1228 PolarHBondContact O-N 3.17Å; V1226-E1228 VanDerWaalsContact C-N 3.33Å; V1226-E1228 PolarHBondContact O-N 2.96Å; E1228-T1230 VanDerWaalsContact C-N 3.33Å; E1228-T1230 PolarHBondContact O-N 3.14Å; E1228-A1231 PolarHBondContact O-N 3.1Å; E1228-S1232 VanDerWaalsContact O-CB 3.28Å; E1228-S1232 WeakPolarHBondContact O-CB 3.27Å; E1228-S1232 PolarHBondContact O-N 2.92Å; E1228-S1232 PolarHBondContact O-OG 2.84Å; E1228-L1239 HydrophobicContact CG-CD1 4.34Å; E1228-T1243 VanDerWaalsContact OE1-CA 3.29Å; E1228-T1243 WeakPolarHBondContact OE1-CA 3.44Å; E1228-T1243 WeakPolarHBondContact OE1-CB 3.31Å; E1228-T1243 PolarHBondContact OE1-OG1 2.82Å; E1228-M1244 VanDerWaalsContact OE2-CB 3.27Å; E1228-M1244 WeakPolarHBondContact OE2-CB 3.32Å; E1228-M1244 WeakPolarHBondContact OE2-CG 3.39Å; E1228-M1244 PolarHBondContact OE2-N 3.04Å
1229	A	74.3	Confident	71.4	Confident	57 Å²	57	59.1 Å²	59.1	47%	0.471	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-38.2	175.1	0	0	0	0	0	112	T1225 V1226 S1232 V1233	T1225-A1229 WeakPolarHBondContact O-CB 3.34Å; T1225-A1229 PolarHBondContact O-N 3.34Å; V1226-A1229 PolarHBondContact O-N 2.56Å; A1229-S1232 PolarHBondContact O-OG 2.59Å; A1229-V1233 VanDerWaalsContact O-CG2 3.32Å; A1229-V1233 WeakPolarHBondContact O-CG2 3.49Å; A1229-V1233 PolarHBondContact O-N 3.09Å
1230	T	73.9	Confident	69.8	Low	68 Å²	68	63.8 Å²	63.8	42%	0.417	39%	0.385	S	S	.	.	H	α-helix	trans	-68.7	-48.7	175.4	-57.5	0	0	0	0	111.7	V1226 E1227 E1228 S1232 V1233 S1234	V1226-T1230 PolarHBondContact O-N 3.26Å; V1226-T1230 PolarHBondContact O-OG1 2.93Å; V1226-T1230 VanDerWaalsContact O-OG1 3.04Å; E1227-T1230 PolarHBondContact O-N 2.8Å; E1228-T1230 VanDerWaalsContact C-N 3.33Å; E1228-T1230 PolarHBondContact O-N 3.14Å; T1230-S1232 PolarHBondContact O-N 3.42Å; T1230-V1233 PolarHBondContact O-N 3.49Å; T1230-S1234 PolarHBondContact O-N 3.02Å; T1230-S1234 VanDerWaalsContact O-N 3.1Å; T1230-S1234 PolarHBondContact O-OG 3.06Å
1231	A	68.1	Low	68.4	Low	3 Å²	3	67.8 Å²	67.8	3%	0.025	43%	0.427	C	S	.	.	H	α-helix	trans	-67.6	-35.6	-176.8	0	0	0	0	0	113.3	L1188 E1227 E1228 V1233 S1234 E1235 L1239	L1188-A1231 HydrophobicContact CD2-CB 3.84Å; E1227-A1231 VanDerWaalsContact O-CB 3.23Å; E1227-A1231 WeakPolarHBondContact O-CB 3.39Å; E1227-A1231 PolarHBondContact O-N 2.92Å; E1228-A1231 PolarHBondContact O-N 3.1Å; A1231-V1233 VanDerWaalsContact C-N 3.27Å; A1231-V1233 PolarHBondContact O-N 2.81Å; A1231-S1234 WeakPolarHBondContact CA-OG 3.42Å; A1231-S1234 PolarHBondContact O-N 3.22Å; A1231-S1234 PolarHBondContact O-OG 3.17Å; A1231-E1235 PolarHBondContact O-N 3.17Å; A1231-E1235 VanDerWaalsContact O-N 3.09Å; A1231-L1239 HydrophobicContact CB-CD1 3.95Å
1232	S	66.6	Low	67.1	Low	62 Å²	62	67.5 Å²	67.5	43%	0.434	43%	0.427	S	S	.	.	H	α-helix	trans	-70.3	-21.6	176	54.9	0	0	0	0	113.5	E1228 A1229 T1230	E1228-S1232 VanDerWaalsContact O-CB 3.28Å; E1228-S1232 WeakPolarHBondContact O-CB 3.27Å; E1228-S1232 PolarHBondContact O-N 2.92Å; E1228-S1232 PolarHBondContact O-OG 2.84Å; A1229-S1232 PolarHBondContact O-OG 2.59Å; T1230-S1232 PolarHBondContact O-N 3.42Å
1233	V	62.7	Low	66.2	Low	128 Å²	128	62.1 Å²	62.1	78%	0.776	41%	0.412	S	S	*	.	H	α-helix	trans	-85.1	-30.4	171.5	173	0	0	0	0	112	A1229 T1230 A1231	A1229-V1233 VanDerWaalsContact O-CG2 3.32Å; A1229-V1233 WeakPolarHBondContact O-CG2 3.49Å; A1229-V1233 PolarHBondContact O-N 3.09Å; T1230-V1233 PolarHBondContact O-N 3.49Å; A1231-V1233 VanDerWaalsContact C-N 3.27Å; A1231-V1233 PolarHBondContact O-N 2.81Å
1234	S	57.9	Low	65.5	Low	75 Å²	75	59.4 Å²	59.4	52%	0.524	40%	0.402	S	S	.	.	H	α-helix	trans	-82.6	-38	-178.2	63.9	0	0	0	0	114.8	T1230 A1231	T1230-S1234 PolarHBondContact O-N 3.02Å; T1230-S1234 VanDerWaalsContact O-N 3.1Å; T1230-S1234 PolarHBondContact O-OG 3.06Å; A1231-S1234 WeakPolarHBondContact CA-OG 3.42Å; A1231-S1234 PolarHBondContact O-N 3.22Å; A1231-S1234 PolarHBondContact O-OG 3.17Å
1235	E	53.3	Low	64.5	Low	116 Å²	116	66.3 Å²	66.3	54%	0.542	43%	0.432	S	S	.	.	S	Bend	trans	-124.5	98.9	175.6	-73.2	-156.6	157.1	0	0	111.8	I1185 A1231 G1237 G1238	I1185-E1235 HydrophobicContact CD1-CB 4.36Å; I1185-E1235 HydrophobicContact CD1-CG 4.33Å; I1185-E1235 WeakPolarHBondContact CD1-OE2 3.36Å; A1231-E1235 PolarHBondContact O-N 3.17Å; A1231-E1235 VanDerWaalsContact O-N 3.09Å; E1235-G1237 PolarHBondContact O-N 3.44Å; E1235-G1238 PolarHBondContact O-N 2.79Å
1236	G	47.9	Very low	63.3	Low	92 Å²	92	66.9 Å²	66.9	95%	0.948	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	60.4	-177.4	0	0	0	0	0	115.7
1237	G	52.9	Low	61.7	Low	60 Å²	60	66.8 Å²	66.8	62%	0.619	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	166.4	-12.8	176.6	0	0	0	0	0	115.5	E1235 L1239	E1235-G1237 PolarHBondContact O-N 3.44Å; G1237-L1239 PolarHBondContact O-N 3.2Å
1238	G	50.4	Low	60.3	Low	26 Å²	26	71 Å²	71	27%	0.268	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-22	-168	0	0	0	0	0	116.5	K1189 E1235	K1189-G1238 WeakPolarHBondContact CE-O 3.28Å; K1189-G1238 PolarHBondContact NZ-O 3.36Å; E1235-G1238 PolarHBondContact O-N 2.79Å
1239	L	55.1	Low	58.6	Low	28 Å²	28	77.8 Å²	77.8	15%	0.147	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	12.1	-161.4	-84.5	164.2	0	0	0	117.1	K1189 E1228 A1231 G1237 G1241	K1189-L1239 HydrophobicContact CG-CD2 4.01Å; E1228-L1239 HydrophobicContact CG-CD1 4.34Å; A1231-L1239 HydrophobicContact CB-CD1 3.95Å; G1237-L1239 PolarHBondContact O-N 3.2Å; L1239-G1241 PolarHBondContact O-N 3.28Å
1240	Q	53.1	Low	56.9	Low	175 Å²	175	83 Å²	83	82%	0.818	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	127.2	-180	-77	-175.2	-24.5	0	0	113.7
1241	G	58.6	Low	55.1	Low	86 Å²	86	89.1 Å²	89.1	89%	0.887	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.8	-5.1	166.9	0	0	0	0	0	117.9	L1239	L1239-G1241 PolarHBondContact O-N 3.28Å
1242	I	59	Low	53.5	Low	44 Å²	44	98.5 Å²	98.5	23%	0.226	57%	0.572	C	S	.	*			trans	-139.3	113.2	-178.6	-59.1	177.3	0	0	0	110	K1189 I1192 K1193	K1189-I1242 HydrophobicContact CB-CD1 4.23Å; K1189-I1242 HydrophobicContact CD-CD1 4.45Å; K1189-I1242 HydrophobicContact CG-CD1 4.43Å; I1192-I1242 HydrophobicContact CB-CG2 3.92Å; I1192-I1242 HydrophobicContact CG2-CG2 3.52Å; K1193-I1242 HydrophobicContact CB-CD1 4.5Å; K1193-I1242 HydrophobicContact CD-CD1 4.12Å
1243	T	67.2	Low	51.9	Low	47 Å²	47	102.9 Å²	102.9	29%	0.288	63%	0.627	S	S	.	*			trans	-133.5	149.8	177.4	178.2	0	0	0	0	111.5	K1196 E1228 K1245	K1196-T1243 VanDerWaalsContact CD-O 3.29Å; K1196-T1243 WeakPolarHBondContact CD-O 3.47Å; K1196-T1243 PolarHBondContact NZ-O 2.81Å; E1228-T1243 VanDerWaalsContact OE1-CA 3.29Å; E1228-T1243 WeakPolarHBondContact OE1-CA 3.44Å; E1228-T1243 WeakPolarHBondContact OE1-CB 3.31Å; E1228-T1243 PolarHBondContact OE1-OG1 2.82Å; T1243-K1245 HydrophobicContact CG2-CB 4.26Å; T1243-K1245 PolarHBondContact OG1-N 3.11Å
1244	M	70.3	Confident	51.4	Low	1 Å²	1	101.6 Å²	101.6	1%	0.005	62%	0.62	C	S	.	*	S	Bend	trans	-64.9	-36.3	170.7	-77.5	-60.9	-56.5	0	0	112.3	I1192 K1196 H1221 L1224 E1228 D1246	I1192-M1244 HydrophobicContact CB-SD 4.06Å; I1192-M1244 HydrophobicContact CD1-CG 4.1Å; I1192-M1244 HydrophobicContact CG1-CG 3.86Å; I1192-M1244 HydrophobicContact CG1-SD 3.74Å; I1192-M1244 HydrophobicContact CG2-CG 4.14Å; I1192-M1244 HydrophobicContact CG2-SD 3.74Å; K1196-M1244 HydrophobicContact CD-SD 4.43Å; K1196-M1244 HydrophobicContact CG-SD 4.42Å; K1196-M1244 PolarHBondContact NZ-O 2.86Å; H1221-M1244 HydrophobicContact CB-CE 4.05Å; H1221-M1244 WeakPolarHBondContact CD2-CE 3.36Å; H1221-M1244 VanDerWaalsContact CG-CE 3.44Å; H1221-M1244 WeakPolarHBondContact NE2-CE 3.47Å; L1224-M1244 HydrophobicContact CB-CE 4.44Å; L1224-M1244 HydrophobicContact CB-CG 3.94Å; L1224-M1244 HydrophobicContact CB-SD 3.81Å; L1224-M1244 HydrophobicContact CD1-SD 4.1Å; E1228-M1244 VanDerWaalsContact OE2-CB 3.27Å; E1228-M1244 WeakPolarHBondContact OE2-CB 3.32Å; E1228-M1244 WeakPolarHBondContact OE2-CG 3.39Å; E1228-M1244 PolarHBondContact OE2-N 3.04Å; M1244-D1246 PolarHBondContact O-N 2.9Å
1245	K	63.2	Low	51	Low	145 Å²	145	103 Å²	103	63%	0.63	63%	0.625	S	S	*	*	S	Bend	trans	-53.3	130.4	176.9	-75.9	-169	168.9	-161.8	0	111.3	K1196 T1243 S1247	K1196-K1245 VanDerWaalsContact NZ-C 3.27Å; K1196-K1245 PolarHBondContact NZ-O 2.87Å; T1243-K1245 HydrophobicContact CG2-CB 4.26Å; T1243-K1245 PolarHBondContact OG1-N 3.11Å; K1245-S1247 PolarHBondContact O-N 2.86Å
1246	D	56.9	Low	50.9	Low	64 Å²	64	102.3 Å²	102.3	34%	0.342	63%	0.629	S	S	.	*			trans	-71.9	125.7	175.8	-87.1	-45.4	0	0	0	111.3	K1196 R1200 M1244 D1248	K1196-D1246 WeakPolarHBondContact CE-OD1 3.46Å; K1196-D1246 IonicContact NZ-OD1 3.55Å; K1196-D1246 PolarHBondContact NZ-OD1 2.77Å; R1200-D1246 IonicContact CZ-OD1 2.68Å; R1200-D1246 IonicContact NE-OD1 2.77Å; R1200-D1246 IonicContact NH2-OD1 2.83Å; R1200-D1246 PolarHBondContact NH2-OD1 2.87Å; M1244-D1246 PolarHBondContact O-N 2.9Å; D1246-D1248 PolarHBondContact O-N 2.94Å
1247	S	49.7	Very low	51.1	Low	87 Å²	87	102.9 Å²	102.9	61%	0.608	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	12	-174.1	-44.4	0	0	0	0	112.4	K1245	K1245-S1247 PolarHBondContact O-N 2.86Å
1248	D	47.3	Very low	51	Low	98 Å²	98	105.6 Å²	105.6	52%	0.524	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.4	-2.5	-168	-57.8	35.8	0	0	0	110.9	R1200 D1246	R1200-D1248 IonicContact CZ-OD1 2.69Å; R1200-D1248 VanDerWaalsContact CZ-OD1 3.25Å; R1200-D1248 IonicContact CZ-OD2 3.16Å; R1200-D1248 VanDerWaalsContact CZ-OD2 3.26Å; R1200-D1248 IonicContact NH1-OD1 3.38Å; R1200-D1248 PolarHBondContact NH1-OD1 3.38Å; R1200-D1248 IonicContact NH1-OD2 2.7Å; R1200-D1248 PolarHBondContact NH1-OD2 2.86Å; R1200-D1248 VanDerWaalsContact NH2-CG 3.27Å; R1200-D1248 IonicContact NH2-OD1 3.45Å; R1200-D1248 PolarHBondContact NH2-OD1 2.99Å; R1200-D1248 IonicContact NH2-OD2 2.73Å; R1200-D1248 PolarHBondContact NH2-OD2 2.82Å; D1246-D1248 PolarHBondContact O-N 2.94Å
1249	E	42.6	Very low	51	Low	171 Å²	171	110.9 Å²	110.9	80%	0.799	63%	0.633	S	S	*	*	S	Bend	trans	-105.9	0.6	178.5	-65.1	-170.2	153.7	0	0	113.6
1250	E	38.1	Very low	50.7	Low	168 Å²	168	116.8 Å²	116.8	79%	0.785	67%	0.668	S	S	*	*	S	Bend	trans	-103.6	13.7	-177.5	-69.5	-173.4	164.9	0	0	113.9
1251	E	36.9	Very low	50.5	Low	195 Å²	195	112.3 Å²	112.3	91%	0.911	66%	0.656	S	S	*	*	S	Bend	trans	-114.5	3.6	179.6	-105.8	-174.7	-179.1	0	0	116.3
1252	E	33.9	Very low	49.8	Very low	200 Å²	200	114.5 Å²	114.5	94%	0.935	64%	0.637	S	S	*	*			trans	-112.7	98.8	165	-72.5	-161.1	154.7	0	0	111.3
1253	G	33.2	Very low	49	Very low	154 Å²	154	120.9 Å²	120.9	100%	1.588	67%	0.674	S	S	*	*			trans	-161	0	177.5	0	0	0	0	0	113.5

Retrieved 1,253 of 1,253 residues in 329.6 ms (Link to these results)

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