A0A5K4FAH9_SCHMA Loading...

Aminopeptidase

AlphaFold DB , UniProt , Accession A0A5K4FAH9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,083 aa.

						>A0A5K4FAH9_SCHMA|A0A5K4FAH9
MSSNNNNNNTRRDPVKMTNLNKSNNQDGDALDTVIIPLNSSTTSTKVHQTKSGISKILLILLILLLILMLLFLIIASIIAVYYSNAYYKCQTVKDAEINHLKCNELDEICTSENATDDLLQRALESLSNRSMKDVRLPYTVIPSFYDLKLQVHLHQGKPETFFFNGSVTIKIYCSVSTKHFFVHAHSRLNISLDEIINKKSFSVDENNEFLLSCYLISILNDDGDSHGNIDLRNISYEEDLEWYKIELVQSLQPFTYYKLAFGQFRSALNDELKGWYLSKYIENGTYKYLATSQLQPTDARRVFPCWDEPGFKAQFQVSLIRQKDYHSLSNMALESTEELHDNWYLDKYEPSVNMSTYLLAFVVSQFASIRGIDSKGRNFTVWTRSDKINSAKYALETGKKIIGFFEEYFELPYPLRKTDMVAVPDFAAGAMENWGLMIYREATMLWDPEFGTAATQQKVATVISHEVAHQWFGNLVTLNWWDDLWLNEGFASFAEYIGVDHVHPEWGMDEQFLLDDIQKVLISDSLATSRPVIQPVYYPNEINEIFDPISYNKGASVLRMMESFMGRNTFRAGVKNYLYQNKYKNTVHEDLWRALTEAAKRVGKDVNVKAVMDTWMKQMNYPLVIVRRNADGQFQFVQKHYLEPQDAKSPKNPSPYNFTWKIPLTYGSAKTNNWDETDVIWMMNKTMTQTLDVAENSWYLFNIKQAGFYRVHYADNNWELLTEQLYKDHRAIPLHSRTQILDDLFNLANRATVSYDVYLNLTKYLKKEDQYVVWETTRRALSYIDRMLAMDESYGAFQAYLRTLVDDPLKSVDWTTMKEDKDHMKHMLRLTLTRLACQAEHHSCVKMATEYYRNWMLNPEKNLIPPSLRPAVYCTAIRIGGQKEWEFLKQRLLDVDIREDEKNSILQALSCSRDMWVVRLHLEWIIKNNQKDPQDLLDALSSVALYPIGQTLLWEHIREAWRFIMNEGKNATHPTAKAASSDDLNDICKYQIANSGRNNECVLTVILKILSKRHYTLNNIPDQEEVLAMQNSGQKLLENHVLKRGLNDLFKRSKENIKWTKTHRDIISNWLNKNVPNTTILL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	30.5	Very low	237 Å²	237	158 Å²	158	100%	1.167	85%	0.845	S	S	*	*				0	135.9	0	-80.8	179.7	166	0	0	108.6
2	S	33	Very low	30.5	Very low	108 Å²	108	165.1 Å²	165.1	76%	0.755	85%	0.851	S	S	*	*			trans	49.9	101.5	167.8	61.5	0	0	0	0	118.2
3	S	28.2	Very low	30.6	Very low	107 Å²	107	162.4 Å²	162.4	75%	0.748	84%	0.839	S	S	*	*				65.2	101	81.4	76.7	0	0	0	0	114.2
4	N	32.5	Very low	30.6	Very low	167 Å²	167	159.4 Å²	159.4	89%	0.893	84%	0.835	S	S	*	*			trans	-146.2	88.9	145.9	-104.6	-14.2	0	0	0	108.4
5	N	30.3	Very low	30.6	Very low	150 Å²	150	158.5 Å²	158.5	80%	0.802	84%	0.838	S	S	*	*			trans	-84.3	116.9	163.7	-99.6	-16.3	0	0	0	107.1
6	N	31	Very low	30.5	Very low	163 Å²	163	160.3 Å²	160.3	87%	0.872	84%	0.836	S	S	*	*			trans	-129.8	94.7	158	-100.2	-17.5	0	0	0	108.5
7	N	29.9	Very low	30.2	Very low	134 Å²	134	162.3 Å²	162.3	72%	0.717	84%	0.844	S	S	*	*			trans	-68.6	117.5	162.9	-88.2	-27	0	0	0	108.8
8	N	31.1	Very low	30.2	Very low	160 Å²	160	159.8 Å²	159.8	86%	0.856	84%	0.837	S	S	*	*			trans	-121.6	91.4	155.9	-95.3	-19.4	0	0	0	108.6	T10	N8-T10 PolarHBondContact O-N 2.78Å
9	N	28.8	Very low	29.9	Very low	149 Å²	149	160.5 Å²	160.5	80%	0.797	84%	0.841	S	S	*	*			trans	-75.2	106.5	166	-89	-32.4	0	0	0	109
10	T	29.8	Very low	29.9	Very low	133 Å²	133	160.7 Å²	160.7	82%	0.816	84%	0.842	S	S	*	*			trans	-114.2	89.7	160.1	37	0	0	0	0	109.4	N8 R12	N8-T10 PolarHBondContact O-N 2.78Å; T10-R12 PolarHBondContact O-N 2.69Å
11	R	28.6	Very low	29.7	Very low	230 Å²	230	160 Å²	160	87%	0.868	84%	0.84	S	S	*	*			trans	-62.8	112.6	168.2	-150.4	179.4	-166.6	178	2	107.9
12	R	30.9	Very low	29.4	Very low	243 Å²	243	158.4 Å²	158.4	92%	0.917	83%	0.826	S	S	*	*			trans	-97.3	110.1	166.8	-85.1	-173.7	177.3	-179	0.2	108	T10	T10-R12 PolarHBondContact O-N 2.69Å
13	D	31.6	Very low	29.1	Very low	130 Å²	130	158.7 Å²	158.7	70%	0.695	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-67.2	149.3	174.5	-76.7	-42.4	0	0	0	111.9
14	P	31.1	Very low	29	Very low	121 Å²	121	161 Å²	161	79%	0.786	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-78.9	124.8	-178.3	28.4	-27.7	0	0	0	111.7	K16	P14-K16 PolarHBondContact O-N 2.92Å
15	V	30.1	Very low	28.8	Very low	145 Å²	145	160.9 Å²	160.9	88%	0.879	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-69.9	120.9	176.8	175.2	0	0	0	0	109.9
16	K	28.5	Very low	28.6	Very low	187 Å²	187	162 Å²	162	81%	0.813	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-61.1	131.3	175.1	-83.1	175.3	170.9	175.2	0	111.7	P14 T18	P14-K16 PolarHBondContact O-N 2.92Å; K16-T18 PolarHBondContact O-N 3.44Å
17	M	25.7	Very low	28.6	Very low	195 Å²	195	162.1 Å²	162.1	96%	0.961	83%	0.832	S	S	*	*			trans	-61.9	113	162	-80.5	177.1	167.6	0	0	110.2
18	T	30.3	Very low	28.6	Very low	118 Å²	118	159.7 Å²	159.7	72%	0.724	84%	0.839	S	S	*	*			trans	-104.4	116.9	163.7	36.1	0	0	0	0	109.7	K16 L20	K16-T18 PolarHBondContact O-N 3.44Å; T18-L20 PolarHBondContact O-N 2.87Å
19	N	24.6	Very low	28.6	Very low	172 Å²	172	160 Å²	160	92%	0.92	84%	0.841	S	S	*	*			trans	-57.5	118.2	165.8	-85.7	-34.1	0	0	0	110.3
20	L	30	Very low	28.6	Very low	165 Å²	165	157 Å²	157	86%	0.864	84%	0.837	S	S	*	*			trans	-120.9	112.4	165.2	-96.4	156.2	0	0	0	108.8	T18	T18-L20 PolarHBondContact O-N 2.87Å
21	N	26	Very low	28.6	Very low	147 Å²	147	158.7 Å²	158.7	79%	0.786	84%	0.84	S	S	*	*			trans	-66.4	134.7	174.6	-93.9	-36	0	0	0	111.4
22	K	25.7	Very low	28.6	Very low	202 Å²	202	154.9 Å²	154.9	88%	0.878	84%	0.837	S	S	*	*			trans	27.2	105.4	136.9	-67.9	178.1	174.7	177.7	0	117
23	S	27.4	Very low	28.6	Very low	115 Å²	115	149.7 Å²	149.7	80%	0.804	83%	0.832	S	S	*	*			trans	-128.7	131.6	149	61.3	0	0	0	0	109.9
24	N	26.1	Very low	28.5	Very low	154 Å²	154	149.7 Å²	149.7	82%	0.824	84%	0.837	S	S	*	*			trans	-56	127.1	-179.6	-68.5	-32.1	0	0	0	112.4
25	N	27.8	Very low	28.3	Very low	166 Å²	166	151.5 Å²	151.5	89%	0.888	84%	0.838	S	S	*	*			trans	-104.6	100.4	154.5	-91.5	-1.1	0	0	0	107.5
26	Q	26.2	Very low	28.2	Very low	173 Å²	173	151.7 Å²	151.7	81%	0.808	83%	0.832	S	S	*	*			trans	-89.9	119.2	152.9	-79.3	178.3	-50.7	0	0	105.7
27	D	31.1	Very low	28.2	Very low	165 Å²	165	147.6 Å²	147.6	88%	0.882	83%	0.825	S	S	*	*			trans	-161.1	92.3	150.3	-87.5	-30.9	0	0	0	105.9
28	G	29.9	Very low	28.4	Very low	83 Å²	83	147 Å²	147	86%	0.856	83%	0.825	S	S	*	*			trans	-99.9	106.2	170.8	0	0	0	0	0	107.6
29	D	31.5	Very low	28.2	Very low	168 Å²	168	149 Å²	149	90%	0.898	83%	0.831	S	S	*	*			trans	-74.2	145	177	-98.6	-33.1	0	0	0	112.1
30	A	28.4	Very low	28.5	Very low	85 Å²	85	146.5 Å²	146.5	70%	0.702	83%	0.827	S	S	*	*			trans	-67.1	139.8	-173.4	0	0	0	0	0	113.2
31	L	30.1	Very low	28.4	Very low	168 Å²	168	143.5 Å²	143.5	88%	0.88	82%	0.82	S	S	*	*			trans	-132.3	103.4	158	-105.8	153.9	0	0	0	108.3	T33	L31-T33 PolarHBondContact O-N 2.99Å
32	D	28.2	Very low	28.4	Very low	150 Å²	150	142.1 Å²	142.1	80%	0.802	82%	0.817	S	S	*	*			trans	-53.2	124.8	176.8	-70.6	-50.2	0	0	0	111.7
33	T	31.6	Very low	28.5	Very low	135 Å²	135	139.4 Å²	139.4	83%	0.828	82%	0.818	S	S	*	*			trans	-129.4	116.6	158	4	0	0	0	0	109.7	L31	L31-T33 PolarHBondContact O-N 2.99Å
34	V	28.7	Very low	28.3	Very low	130 Å²	130	139 Å²	139	79%	0.788	81%	0.814	S	S	*	*			trans	-62.9	125.5	-173.9	171.9	0	0	0	0	111.1	I36	V34-I36 HydrophobicContact CG1-CD1 4.49Å; V34-I36 HydrophobicContact CG1-CG1 4.21Å
35	I	26.9	Very low	28.5	Very low	158 Å²	158	137.8 Å²	137.8	81%	0.81	81%	0.813	S	S	*	*			trans	-97	130.9	171.4	-64.1	173.2	0	0	0	108.4
36	I	28.8	Very low	28.6	Very low	149 Å²	149	139.1 Å²	139.1	76%	0.764	81%	0.811	S	S	*	*			trans	-126.5	139.7	165.6	-64.4	-179.3	0	0	0	108.3	V34	V34-I36 HydrophobicContact CG1-CD1 4.49Å; V34-I36 HydrophobicContact CG1-CG1 4.21Å
37	P	27.8	Very low	28.6	Very low	102 Å²	102	137.1 Å²	137.1	66%	0.662	81%	0.81	S	S	*	*			trans	-104.7	154.6	-146.8	37.8	-29.3	0	0	0	113.9
38	L	28.9	Very low	28.4	Very low	181 Å²	181	137.7 Å²	137.7	95%	0.948	81%	0.807	S	S	*	*			trans	-111.3	114.1	163	-89.9	156.8	0	0	0	109.6
39	N	27.8	Very low	28.4	Very low	161 Å²	161	142.7 Å²	142.7	86%	0.861	81%	0.808	S	S	*	*			trans	-54.9	133.1	172.8	-80	-34.6	0	0	0	112.4
40	S	30.8	Very low	28.5	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	80%	0.802	S	S	*	*			trans	-148.4	123	143.8	66.3	0	0	0	0	110.1
41	S	27.1	Very low	28.9	Very low	101 Å²	101	147.2 Å²	147.2	71%	0.706	82%	0.815	S	S	*	*			trans	-78.1	141.1	-174.1	48	0	0	0	0	113.7
42	T	25.3	Very low	29.6	Very low	119 Å²	119	143 Å²	143	73%	0.73	80%	0.799	S	S	*	*			trans	59.9	110.5	139.2	56.9	0	0	0	0	119.5
43	T	28.5	Very low	30.7	Very low	145 Å²	145	137.3 Å²	137.3	89%	0.89	78%	0.776	S	S	*	*				-172.6	136.3	111.6	21.2	0	0	0	0	111.1
44	S	23	Very low	31.7	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	77%	0.771	S	S	*	*			trans	-74	140.6	175.2	60.8	0	0	0	0	111.9
45	T	29.8	Very low	33.1	Very low	130 Å²	130	135.7 Å²	135.7	80%	0.798	76%	0.764	S	S	*	*			trans	-172.5	124.1	138	13.8	0	0	0	0	113.5
46	K	29.5	Very low	35.1	Very low	193 Å²	193	134.7 Å²	134.7	84%	0.839	75%	0.754	S	S	*	*			trans	47.9	92.5	141.8	-66.8	-178.2	177.2	179.8	0	120.6
47	V	26.8	Very low	37.3	Very low	131 Å²	131	132.7 Å²	132.7	79%	0.794	74%	0.743	S	S	*	*				30.8	114.1	115.8	-176.7	0	0	0	0	118.7
48	H	27.4	Very low	39.4	Very low	177 Å²	177	133.6 Å²	133.6	82%	0.819	74%	0.742	S	S	*	*			trans	46.6	109.2	145	-71.5	-50.1	0	0	0	120.3
49	Q	30.7	Very low	41.8	Very low	189 Å²	189	130 Å²	130	88%	0.883	72%	0.723	S	S	*	*				178.3	87.7	123.2	-99	-179.1	10.3	0	0	110.8
50	T	32.5	Very low	44.5	Very low	124 Å²	124	127.2 Å²	127.2	76%	0.761	71%	0.707	S	S	*	*			trans	-149.6	66.9	166.4	44.3	0	0	0	0	112.5	S52	T50-S52 PolarHBondContact O-N 3.35Å
51	K	37.6	Very low	47	Very low	223 Å²	223	127.1 Å²	127.1	97%	0.97	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	11.9	162.7	-100.2	-175.1	177.1	-178.8	0	114
52	S	44.1	Very low	49.5	Very low	80 Å²	80	127.5 Å²	127.5	56%	0.559	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-11.3	-179.4	177.1	0	0	0	0	113.6	T50	T50-S52 PolarHBondContact O-N 3.35Å
53	G	51.7	Low	52.4	Low	31 Å²	31	125.9 Å²	125.9	32%	0.32	68%	0.676	S	S	.	*	H	α-helix	trans	-77.8	-37.7	-174.8	0	0	0	0	0	115.4	S55 K56 I57	G53-S55 PolarHBondContact O-N 2.89Å; G53-K56 PolarHBondContact O-N 3.5Å; G53-I57 PolarHBondContact O-N 2.82Å; G53-I57 VanDerWaalsContact O-N 3.17Å
54	I	51.5	Low	55.2	Low	138 Å²	138	123.9 Å²	123.9	71%	0.708	66%	0.66	S	S	*	*	H	α-helix	trans	-70.5	-33.3	-170.7	-60.4	173	0	0	0	111.7	I57 L58	I54-I57 PolarHBondContact O-N 3.15Å; I54-L58 PolarHBondContact O-N 3.24Å
55	S	59	Low	58.3	Low	92 Å²	92	124.4 Å²	124.4	64%	0.643	65%	0.654	S	S	*	*	H	α-helix	trans	-65.8	-38.5	174.3	-179.8	0	0	0	0	112.1	G53 L59	G53-S55 PolarHBondContact O-N 2.89Å; S55-L59 WeakPolarHBondContact O-CB 3.34Å; S55-L59 PolarHBondContact O-N 3.17Å; S55-L59 VanDerWaalsContact O-N 3.08Å
56	K	68.1	Low	61	Low	137 Å²	137	123.2 Å²	123.2	60%	0.596	64%	0.642	S	S	*	*	H	α-helix	trans	-67.5	-39.8	177	-71.2	-171.6	177.7	-175.4	0	112.3	G53 L59 I60	G53-K56 PolarHBondContact O-N 3.5Å; K56-L59 PolarHBondContact O-N 3.22Å; K56-I60 WeakPolarHBondContact O-CD1 3.36Å; K56-I60 WeakPolarHBondContact O-CG1 3.44Å; K56-I60 PolarHBondContact O-N 2.81Å
57	I	76	Confident	63.9	Low	108 Å²	108	118.5 Å²	118.5	55%	0.554	63%	0.625	S	S	*	*	H	α-helix	trans	-65.1	-43.8	178.8	-66.1	167.9	0	0	0	110.9	G53 I54 L59 I60 L61	G53-I57 PolarHBondContact O-N 2.82Å; G53-I57 VanDerWaalsContact O-N 3.17Å; I54-I57 PolarHBondContact O-N 3.15Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 2.95Å; I57-I60 PolarHBondContact O-N 3.2Å; I57-L61 PolarHBondContact O-N 2.69Å
58	L	71.9	Confident	66.9	Low	120 Å²	120	117.3 Å²	117.3	63%	0.628	61%	0.613	S	S	*	*	H	α-helix	trans	-64.3	-40.6	178.4	-146.2	86.7	0	0	0	111.6	I54 L61 L62	I54-L58 PolarHBondContact O-N 3.24Å; L58-L61 PolarHBondContact O-N 3.33Å; L58-L62 PolarHBondContact O-N 3.2Å
59	L	78.5	Confident	69.8	Low	107 Å²	107	114.5 Å²	114.5	56%	0.56	60%	0.602	S	S	*	*	H	α-helix	trans	-63.5	-41.9	175.9	-169.8	70.6	0	0	0	111.7	S55 K56 I57 L61 L62 I63	S55-L59 WeakPolarHBondContact O-CB 3.34Å; S55-L59 PolarHBondContact O-N 3.17Å; S55-L59 VanDerWaalsContact O-N 3.08Å; K56-L59 PolarHBondContact O-N 3.22Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 2.95Å; L59-L61 VanDerWaalsContact C-N 3.35Å; L59-L61 PolarHBondContact O-N 3.07Å; L59-L62 PolarHBondContact O-N 2.99Å; L59-I63 HydrophobicContact CG-CD1 4.05Å; L59-I63 WeakPolarHBondContact O-CD1 3.28Å; L59-I63 VanDerWaalsContact O-CG1 3.23Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.39Å
60	I	84	Confident	72.5	Confident	102 Å²	102	110.5 Å²	110.5	52%	0.523	59%	0.586	S	S	.	*	H	α-helix	trans	-61.9	-43.1	175.6	-69.5	162.3	0	0	0	110.7	K56 I57 L62 I63 L64	K56-I60 WeakPolarHBondContact O-CD1 3.36Å; K56-I60 WeakPolarHBondContact O-CG1 3.44Å; K56-I60 PolarHBondContact O-N 2.81Å; I57-I60 PolarHBondContact O-N 3.2Å; I60-L62 PolarHBondContact O-N 2.77Å; I60-I63 PolarHBondContact O-N 2.9Å; I60-L64 PolarHBondContact O-N 2.89Å
61	L	83	Confident	75.3	Confident	117 Å²	117	109.3 Å²	109.3	61%	0.613	58%	0.575	S	S	*	*	H	α-helix	trans	-63.4	-42.1	178.6	-130.3	96.6	0	0	0	111.8	I57 L58 L59 L64 L65	I57-L61 PolarHBondContact O-N 2.69Å; L58-L61 PolarHBondContact O-N 3.33Å; L59-L61 VanDerWaalsContact C-N 3.35Å; L59-L61 PolarHBondContact O-N 3.07Å; L61-L64 PolarHBondContact O-N 2.84Å; L61-L65 PolarHBondContact O-N 2.62Å
62	L	80	Confident	77.8	Confident	109 Å²	109	105.8 Å²	105.8	57%	0.571	56%	0.559	S	S	*	*	H	α-helix	trans	-65.6	-41.1	179.2	-136.2	109.4	0	0	0	111.5	L58 L59 I60 L65 L66	L58-L62 PolarHBondContact O-N 3.2Å; L59-L62 PolarHBondContact O-N 2.99Å; I60-L62 PolarHBondContact O-N 2.77Å; L62-L65 PolarHBondContact O-N 3.28Å; L62-L66 PolarHBondContact O-N 2.95Å
63	I	86.7	Confident	79.9	Confident	85 Å²	85	107.2 Å²	107.2	44%	0.436	56%	0.56	S	S	.	*	H	α-helix	trans	-63.2	-42.9	174.4	-68.8	166.2	0	0	0	110.3	L59 I60 L65 L66 I67	L59-I63 HydrophobicContact CG-CD1 4.05Å; L59-I63 WeakPolarHBondContact O-CD1 3.28Å; L59-I63 VanDerWaalsContact O-CG1 3.23Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.39Å; I60-I63 PolarHBondContact O-N 2.9Å; I63-L65 VanDerWaalsContact C-N 3.31Å; I63-L65 PolarHBondContact O-N 3.13Å; I63-L66 PolarHBondContact O-N 3.39Å; I63-I67 HydrophobicContact CG2-CD1 3.8Å; I63-I67 HydrophobicContact CG2-CG1 4.42Å; I63-I67 VanDerWaalsContact O-CG1 3.27Å; I63-I67 WeakPolarHBondContact O-CG1 2.84Å; I63-I67 PolarHBondContact O-N 3.12Å
64	L	88.3	Confident	81.7	Confident	104 Å²	104	110 Å²	110	55%	0.545	57%	0.567	S	S	.	*	H	α-helix	trans	-61.5	-41.1	177.7	-133.3	106.4	0	0	0	111.7	I60 L61 I67 L68	I60-L64 PolarHBondContact O-N 2.89Å; L61-L64 PolarHBondContact O-N 2.84Å; L64-I67 PolarHBondContact O-N 3Å; L64-L68 WeakPolarHBondContact O-CB 3.46Å; L64-L68 PolarHBondContact O-N 3.46Å
65	L	87.9	Confident	83.5	Confident	116 Å²	116	107.2 Å²	107.2	61%	0.607	55%	0.553	S	S	*	*	H	α-helix	trans	-66.9	-40.8	179.1	-146.2	115.5	0	0	0	111.8	L61 L62 I63 L68 M69	L61-L65 PolarHBondContact O-N 2.62Å; L62-L65 PolarHBondContact O-N 3.28Å; I63-L65 VanDerWaalsContact C-N 3.31Å; I63-L65 PolarHBondContact O-N 3.13Å; L65-L68 PolarHBondContact O-N 2.85Å; L65-M69 PolarHBondContact O-N 3.4Å
66	L	86.7	Confident	84.7	Confident	104 Å²	104	105.3 Å²	105.3	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-62.7	-43.5	173.5	-103.7	149.8	0	0	0	112	L62 I63 L68 M69 L70	L62-L66 PolarHBondContact O-N 2.95Å; I63-L66 PolarHBondContact O-N 3.39Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 3.25Å; L66-M69 PolarHBondContact O-N 2.85Å; L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 PolarHBondContact O-N 3.22Å
67	I	90.3	Very high	85.6	Confident	94 Å²	94	102.2 Å²	102.2	48%	0.482	54%	0.538	S	S	.	.	H	α-helix	trans	-61	-42.4	174.7	-69.2	167	0	0	0	110.3	I63 L64 L70 L71	I63-I67 HydrophobicContact CG2-CD1 3.8Å; I63-I67 HydrophobicContact CG2-CG1 4.42Å; I63-I67 VanDerWaalsContact O-CG1 3.27Å; I63-I67 WeakPolarHBondContact O-CG1 2.84Å; I63-I67 PolarHBondContact O-N 3.12Å; L64-I67 PolarHBondContact O-N 3Å; I67-L70 PolarHBondContact O-N 2.95Å; I67-L71 HydrophobicContact CG2-CD1 4.32Å; I67-L71 WeakPolarHBondContact O-CB 3.28Å; I67-L71 PolarHBondContact O-N 3.14Å
68	L	89.5	Confident	86.1	Confident	107 Å²	107	102.1 Å²	102.1	56%	0.56	54%	0.537	S	S	*	.	H	α-helix	trans	-65.1	-42	179.2	-130	128.6	0	0	0	112.1	L64 L65 L66 L71 F72	L64-L68 WeakPolarHBondContact O-CB 3.46Å; L64-L68 PolarHBondContact O-N 3.46Å; L65-L68 PolarHBondContact O-N 2.85Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 3.25Å; L68-L71 PolarHBondContact O-N 3.36Å; L68-F72 PolarHBondContact O-N 3.2Å
69	M	87.7	Confident	86.7	Confident	118 Å²	118	100.5 Å²	100.5	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-63.1	-42	173.1	-79.7	-170.7	69.5	0	0	112.1	L65 L66 L71 F72 L73	L65-M69 PolarHBondContact O-N 3.4Å; L66-M69 PolarHBondContact O-N 2.85Å; M69-L71 VanDerWaalsContact C-N 3.33Å; M69-L71 PolarHBondContact O-N 3.2Å; M69-F72 PolarHBondContact O-N 3.48Å; M69-L73 WeakPolarHBondContact O-CG 3.38Å; M69-L73 PolarHBondContact O-N 3.32Å
70	L	88.6	Confident	86.8	Confident	105 Å²	105	98.2 Å²	98.2	55%	0.55	53%	0.525	S	S	.	.	H	α-helix	trans	-63.5	-41.6	177.3	-138.7	101.5	0	0	0	111	L66 I67 F72 L73 I74	L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 PolarHBondContact O-N 3.22Å; I67-L70 PolarHBondContact O-N 2.95Å; L70-F72 VanDerWaalsContact C-N 3.32Å; L70-F72 PolarHBondContact O-N 3.03Å; L70-L73 PolarHBondContact O-N 3.48Å; L70-I74 HydrophobicContact CD2-CD1 4.36Å; L70-I74 VanDerWaalsContact O-CG1 3.27Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 2.92Å
71	L	90.3	Very high	86.7	Confident	99 Å²	99	98 Å²	98	52%	0.518	53%	0.528	S	S	.	.	H	α-helix	trans	-61.9	-41.3	175.1	-125.5	118.3	0	0	0	111.4	I67 L68 M69 I74 I75	I67-L71 HydrophobicContact CG2-CD1 4.32Å; I67-L71 WeakPolarHBondContact O-CB 3.28Å; I67-L71 PolarHBondContact O-N 3.14Å; L68-L71 PolarHBondContact O-N 3.36Å; M69-L71 VanDerWaalsContact C-N 3.33Å; M69-L71 PolarHBondContact O-N 3.2Å; L71-I74 PolarHBondContact O-N 2.8Å; L71-I75 HydrophobicContact CD2-CD1 4.14Å; L71-I75 VanDerWaalsContact O-CG1 3.27Å; L71-I75 WeakPolarHBondContact O-CG1 3.27Å; L71-I75 PolarHBondContact O-N 3.11Å
72	F	89.7	Confident	86.6	Confident	148 Å²	148	100.1 Å²	100.1	65%	0.649	53%	0.529	S	S	*	.	H	α-helix	trans	-64	-41.7	177.1	-133.2	-83.4	0	0	0	112.1	L68 M69 L70 I75 A76	L68-F72 PolarHBondContact O-N 3.2Å; M69-F72 PolarHBondContact O-N 3.48Å; L70-F72 VanDerWaalsContact C-N 3.32Å; L70-F72 PolarHBondContact O-N 3.03Å; F72-I75 PolarHBondContact O-N 2.91Å; F72-A76 WeakPolarHBondContact O-CB 3.37Å; F72-A76 PolarHBondContact O-N 3.37Å
73	L	88	Confident	86.2	Confident	110 Å²	110	102.3 Å²	102.3	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-65.1	-39.3	175.4	-74.3	168.4	0	0	0	112	M69 L70 S77	M69-L73 WeakPolarHBondContact O-CG 3.38Å; M69-L73 PolarHBondContact O-N 3.32Å; L70-L73 PolarHBondContact O-N 3.48Å; L73-S77 WeakPolarHBondContact O-CB 3.27Å; L73-S77 PolarHBondContact O-N 2.76Å; L73-S77 PolarHBondContact O-OG 2.89Å
74	I	89.4	Confident	85.4	Confident	89 Å²	89	101.9 Å²	101.9	46%	0.456	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-46.4	175	-69.1	165.6	0	0	0	110.4	L70 L71 S77 I78	L70-I74 HydrophobicContact CD2-CD1 4.36Å; L70-I74 VanDerWaalsContact O-CG1 3.27Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 2.92Å; L71-I74 PolarHBondContact O-N 2.8Å; I74-S77 PolarHBondContact O-N 3.41Å; I74-I78 HydrophobicContact CG2-CD1 3.81Å; I74-I78 HydrophobicContact CG2-CG1 4.47Å; I74-I78 VanDerWaalsContact O-CG1 3.29Å; I74-I78 WeakPolarHBondContact O-CG1 3.15Å; I74-I78 PolarHBondContact O-N 2.86Å
75	I	89.3	Confident	84.4	Confident	81 Å²	81	101.8 Å²	101.8	42%	0.415	54%	0.536	S	S	.	.	H	α-helix	trans	-61.3	-46.2	177.2	-69.5	165.3	0	0	0	110.8	L71 F72 S77 I78 I79	L71-I75 HydrophobicContact CD2-CD1 4.14Å; L71-I75 VanDerWaalsContact O-CG1 3.27Å; L71-I75 WeakPolarHBondContact O-CG1 3.27Å; L71-I75 PolarHBondContact O-N 3.11Å; F72-I75 PolarHBondContact O-N 2.91Å; I75-S77 VanDerWaalsContact C-N 3.29Å; I75-S77 PolarHBondContact O-N 2.79Å; I75-I78 PolarHBondContact O-N 3.5Å; I75-I79 HydrophobicContact CG2-CD1 3.73Å; I75-I79 HydrophobicContact CG2-CG1 4.38Å; I75-I79 WeakPolarHBondContact O-CB 3.39Å; I75-I79 VanDerWaalsContact O-CG1 3.28Å; I75-I79 WeakPolarHBondContact O-CG1 3.44Å; I75-I79 PolarHBondContact O-N 3.03Å
76	A	85.7	Confident	83	Confident	51 Å²	51	98.2 Å²	98.2	42%	0.421	52%	0.523	S	S	.	.	H	α-helix	trans	-60.4	-39.7	177	0	0	0	0	0	112	F72 I79 A80	F72-A76 WeakPolarHBondContact O-CB 3.37Å; F72-A76 PolarHBondContact O-N 3.37Å; A76-I79 PolarHBondContact O-N 3.34Å; A76-A80 WeakPolarHBondContact O-CB 3.29Å; A76-A80 PolarHBondContact O-N 3.5Å
77	S	85.5	Confident	81.5	Confident	72 Å²	72	100.6 Å²	100.6	50%	0.503	53%	0.525	S	S	.	.	H	α-helix	trans	-66.5	-42.3	176.4	-56.6	0	0	0	0	111.9	L73 I74 I75 A80 V81	L73-S77 WeakPolarHBondContact O-CB 3.27Å; L73-S77 PolarHBondContact O-N 2.76Å; L73-S77 PolarHBondContact O-OG 2.89Å; I74-S77 PolarHBondContact O-N 3.41Å; I75-S77 VanDerWaalsContact C-N 3.29Å; I75-S77 PolarHBondContact O-N 2.79Å; S77-A80 PolarHBondContact O-N 2.94Å; S77-V81 WeakPolarHBondContact O-CG2 3.25Å; S77-V81 PolarHBondContact O-N 3.47Å
78	I	87.7	Confident	79.8	Confident	106 Å²	106	103.2 Å²	103.2	54%	0.544	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-43.3	175.6	-68.9	166.2	0	0	0	110.6	I74 I75 V81 Y82	I74-I78 HydrophobicContact CG2-CD1 3.81Å; I74-I78 HydrophobicContact CG2-CG1 4.47Å; I74-I78 VanDerWaalsContact O-CG1 3.29Å; I74-I78 WeakPolarHBondContact O-CG1 3.15Å; I74-I78 PolarHBondContact O-N 2.86Å; I75-I78 PolarHBondContact O-N 3.5Å; I78-V81 PolarHBondContact O-N 2.98Å; I78-Y82 WeakPolarHBondContact O-CB 3.47Å; I78-Y82 PolarHBondContact O-N 3.46Å
79	I	84.6	Confident	77.9	Confident	86 Å²	86	105 Å²	105	44%	0.441	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-44.9	176.4	-70.1	170.3	0	0	0	110.5	I75 A76 V81 Y82 Y83	I75-I79 HydrophobicContact CG2-CD1 3.73Å; I75-I79 HydrophobicContact CG2-CG1 4.38Å; I75-I79 WeakPolarHBondContact O-CB 3.39Å; I75-I79 VanDerWaalsContact O-CG1 3.28Å; I75-I79 WeakPolarHBondContact O-CG1 3.44Å; I75-I79 PolarHBondContact O-N 3.03Å; A76-I79 PolarHBondContact O-N 3.34Å; I79-V81 PolarHBondContact O-N 2.75Å; I79-Y82 PolarHBondContact O-N 2.92Å; I79-Y83 HydrophobicContact CG2-CD2 3.53Å; I79-Y83 HydrophobicContact CG2-CE2 3.48Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.48Å; I79-Y83 VanDerWaalsContact O-CD2 3.23Å; I79-Y83 WeakPolarHBondContact O-CD2 3.34Å; I79-Y83 PolarHBondContact O-N 2.95Å
80	A	79.9	Confident	75.9	Confident	59 Å²	59	103.2 Å²	103.2	49%	0.488	53%	0.532	S	S	.	.	H	α-helix	trans	-62	-42.6	177.2	0	0	0	0	0	112.2	A76 S77 Y83 S84	A76-A80 WeakPolarHBondContact O-CB 3.29Å; A76-A80 PolarHBondContact O-N 3.5Å; S77-A80 PolarHBondContact O-N 2.94Å; A80-Y83 PolarHBondContact O-N 3.17Å; A80-S84 VanDerWaalsContact O-CB 3.28Å; A80-S84 WeakPolarHBondContact O-CB 3.43Å; A80-S84 PolarHBondContact O-N 2.86Å
81	V	81.4	Confident	73.9	Confident	98 Å²	98	102.1 Å²	102.1	59%	0.594	52%	0.524	S	S	*	.	H	α-helix	trans	-64.9	-42.3	174.9	171.5	0	0	0	0	111	S77 I78 I79 S84 N85	S77-V81 WeakPolarHBondContact O-CG2 3.25Å; S77-V81 PolarHBondContact O-N 3.47Å; I78-V81 PolarHBondContact O-N 2.98Å; I79-V81 PolarHBondContact O-N 2.75Å; V81-S84 PolarHBondContact O-N 3.02Å; V81-N85 WeakPolarHBondContact O-CB 3.3Å; V81-N85 PolarHBondContact O-N 3.34Å
82	Y	82.3	Confident	71.9	Confident	162 Å²	162	101 Å²	101	64%	0.635	52%	0.521	S	S	*	.	H	α-helix	trans	-59.8	-48.2	176.4	177.4	-95.1	0	0	0	111.8	I78 I79 N85 A86	I78-Y82 WeakPolarHBondContact O-CB 3.47Å; I78-Y82 PolarHBondContact O-N 3.46Å; I79-Y82 PolarHBondContact O-N 2.92Å; Y82-N85 PolarHBondContact O-N 3.24Å; Y82-A86 WeakPolarHBondContact O-CB 3.28Å; Y82-A86 PolarHBondContact O-N 3.33Å
83	Y	70.4	Confident	69.8	Low	155 Å²	155	97.5 Å²	97.5	61%	0.608	51%	0.512	S	S	*	.	H	α-helix	trans	-67.4	-37.1	177.7	-80.5	-67.1	0	0	0	112.8	I79 A80 A86 Y87	I79-Y83 HydrophobicContact CG2-CD2 3.53Å; I79-Y83 HydrophobicContact CG2-CE2 3.48Å; I79-Y83 VanDerWaalsContact CG2-CE2 3.48Å; I79-Y83 VanDerWaalsContact O-CD2 3.23Å; I79-Y83 WeakPolarHBondContact O-CD2 3.34Å; I79-Y83 PolarHBondContact O-N 2.95Å; A80-Y83 PolarHBondContact O-N 3.17Å; Y83-A86 PolarHBondContact O-N 3.31Å; Y83-Y87 VanDerWaalsContact O-CB 3.23Å; Y83-Y87 WeakPolarHBondContact O-CB 3.17Å; Y83-Y87 PolarHBondContact O-N 3.06Å
84	S	70.2	Confident	67.6	Low	76 Å²	76	99.1 Å²	99.1	53%	0.531	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-43.8	173.4	-177.2	0	0	0	0	111.4	A80 V81 Y87 Y88	A80-S84 VanDerWaalsContact O-CB 3.28Å; A80-S84 WeakPolarHBondContact O-CB 3.43Å; A80-S84 PolarHBondContact O-N 2.86Å; V81-S84 PolarHBondContact O-N 3.02Å; S84-Y87 WeakPolarHBondContact O-CB 3.48Å; S84-Y87 PolarHBondContact O-N 3.37Å; S84-Y88 WeakPolarHBondContact O-CB 3.37Å; S84-Y88 PolarHBondContact O-N 2.99Å
85	N	67.9	Low	65.3	Low	102 Å²	102	99.8 Å²	99.8	55%	0.545	52%	0.519	S	S	.	.	H	α-helix	trans	-71.6	-34.4	179.1	-142.2	16.2	0	0	0	112.3	V81 Y82 K89	V81-N85 WeakPolarHBondContact O-CB 3.3Å; V81-N85 PolarHBondContact O-N 3.34Å; Y82-N85 PolarHBondContact O-N 3.24Å; N85-K89 WeakPolarHBondContact O-CB 3.46Å; N85-K89 PolarHBondContact O-N 3.09Å
86	A	57.9	Low	62.9	Low	40 Å²	40	98.4 Å²	98.4	33%	0.331	52%	0.52	S	S	.	.	H	α-helix	trans	-66.8	-41.2	171.7	0	0	0	0	0	111.6	Y82 Y83 K89 C90	Y82-A86 WeakPolarHBondContact O-CB 3.28Å; Y82-A86 PolarHBondContact O-N 3.33Å; Y83-A86 PolarHBondContact O-N 3.31Å; A86-K89 PolarHBondContact O-N 3.41Å; A86-C90 WeakPolarHBondContact O-CB 3.34Å; A86-C90 PolarHBondContact O-N 2.83Å
87	Y	56	Low	60.6	Low	154 Å²	154	101.4 Å²	101.4	60%	0.604	53%	0.525	S	S	*	.	H	α-helix	trans	-62.2	-44.4	173.7	-178.2	-94.1	0	0	0	111.2	Y83 S84 K89 C90 Q91	Y83-Y87 VanDerWaalsContact O-CB 3.23Å; Y83-Y87 WeakPolarHBondContact O-CB 3.17Å; Y83-Y87 PolarHBondContact O-N 3.06Å; S84-Y87 WeakPolarHBondContact O-CB 3.48Å; S84-Y87 PolarHBondContact O-N 3.37Å; Y87-K89 PolarHBondContact O-N 3.15Å; Y87-C90 CarbonylContact O-C 3.51Å; Y87-C90 WeakPolarHBondContact O-CB 3.48Å; Y87-C90 PolarHBondContact O-N 2.72Å; Y87-C90 VanDerWaalsContact O-N 3.12Å; Y87-Q91 HydrophobicContact CE1-CG 4.33Å; Y87-Q91 PolarHBondContact O-N 2.91Å
88	Y	53.4	Low	58.2	Low	150 Å²	150	102.4 Å²	102.4	59%	0.588	52%	0.524	S	S	*	.	H	α-helix	trans	-63.8	-40.3	176.5	-148.6	-87.9	0	0	0	112.1	S84 Q91 T92	S84-Y88 WeakPolarHBondContact O-CB 3.37Å; S84-Y88 PolarHBondContact O-N 2.99Å; Y88-Q91 PolarHBondContact O-N 3.42Å; Y88-T92 PolarHBondContact O-N 3.29Å; Y88-T92 PolarHBondContact O-OG1 3.36Å
89	K	49.9	Very low	55.6	Low	144 Å²	144	102.9 Å²	102.9	63%	0.626	53%	0.527	S	S	*	.	H	α-helix	trans	-64.6	-36.3	170.7	-85.8	-175.9	174.6	-178.2	0	113	N85 A86 Y87 Q91 T92 V93	N85-K89 WeakPolarHBondContact O-CB 3.46Å; N85-K89 PolarHBondContact O-N 3.09Å; A86-K89 PolarHBondContact O-N 3.41Å; Y87-K89 PolarHBondContact O-N 3.15Å; K89-Q91 VanDerWaalsContact C-N 3.34Å; K89-T92 WeakPolarHBondContact CA-OG1 3.21Å; K89-T92 PolarHBondContact O-N 2.94Å; K89-T92 PolarHBondContact O-OG1 3.47Å; K89-T92 VanDerWaalsContact O-OG1 3.04Å; K89-V93 WeakPolarHBondContact O-CB 3.31Å; K89-V93 VanDerWaalsContact O-CG2 3.23Å; K89-V93 WeakPolarHBondContact O-CG2 3.39Å; K89-V93 PolarHBondContact O-N 3.01Å
90	C	46	Very low	53.2	Low	80 Å²	80	106.8 Å²	106.8	54%	0.541	54%	0.543	S	S	.	.	H	α-helix	trans	-68.6	-34.6	174.6	-109	0	0	0	0	111.7	A86 Y87 K94	A86-C90 WeakPolarHBondContact O-CB 3.34Å; A86-C90 PolarHBondContact O-N 2.83Å; Y87-C90 CarbonylContact O-C 3.51Å; Y87-C90 WeakPolarHBondContact O-CB 3.48Å; Y87-C90 PolarHBondContact O-N 2.72Å; Y87-C90 VanDerWaalsContact O-N 3.12Å; C90-K94 WeakPolarHBondContact O-CB 3.22Å; C90-K94 WeakPolarHBondContact O-CG 3.18Å; C90-K94 PolarHBondContact O-N 3.12Å
91	Q	47.1	Very low	50.9	Low	83 Å²	83	110 Å²	110	39%	0.388	55%	0.551	S	S	.	*	H	α-helix	trans	-64.1	-46.7	171.1	-98.1	-175.4	-18.4	0	0	111.3	Y87 Y88 K89 V93 K94 D95	Y87-Q91 HydrophobicContact CE1-CG 4.33Å; Y87-Q91 PolarHBondContact O-N 2.91Å; Y88-Q91 PolarHBondContact O-N 3.42Å; K89-Q91 VanDerWaalsContact C-N 3.34Å; Q91-V93 VanDerWaalsContact C-N 3.33Å; Q91-V93 PolarHBondContact O-N 3.4Å; Q91-K94 WeakPolarHBondContact O-CB 3.49Å; Q91-K94 PolarHBondContact O-N 2.8Å; Q91-D95 PolarHBondContact O-N 3.44Å
92	T	48.3	Very low	49	Very low	75 Å²	75	109.8 Å²	109.8	46%	0.46	54%	0.543	S	S	.	.	H	α-helix	trans	-68.6	-30.1	177.7	50.2	0	0	0	0	113.3	Y88 K89 A96	Y88-T92 PolarHBondContact O-N 3.29Å; Y88-T92 PolarHBondContact O-OG1 3.36Å; K89-T92 WeakPolarHBondContact CA-OG1 3.21Å; K89-T92 PolarHBondContact O-N 2.94Å; K89-T92 PolarHBondContact O-OG1 3.47Å; K89-T92 VanDerWaalsContact O-OG1 3.04Å; T92-A96 PolarHBondContact O-N 3.29Å; T92-A96 VanDerWaalsContact O-N 3.07Å
93	V	45.4	Very low	46.7	Very low	75 Å²	75	106.7 Å²	106.7	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-73.4	-36.2	171.1	173.7	0	0	0	0	111.4	K89 Q91 D95 A96 E97	K89-V93 WeakPolarHBondContact O-CB 3.31Å; K89-V93 VanDerWaalsContact O-CG2 3.23Å; K89-V93 WeakPolarHBondContact O-CG2 3.39Å; K89-V93 PolarHBondContact O-N 3.01Å; Q91-V93 VanDerWaalsContact C-N 3.33Å; Q91-V93 PolarHBondContact O-N 3.4Å; V93-D95 VanDerWaalsContact C-N 3.3Å; V93-D95 PolarHBondContact O-N 2.82Å; V93-A96 CarbonylContact O-C 3.55Å; V93-A96 PolarHBondContact O-N 3.32Å; V93-A96 VanDerWaalsContact O-N 3.1Å; V93-E97 HydrophobicContact CG1-CG 4.35Å; V93-E97 PolarHBondContact O-N 3.24Å
94	K	40.5	Very low	45.2	Very low	143 Å²	143	106.3 Å²	106.3	62%	0.622	55%	0.552	S	S	*	*	H	α-helix	trans	-61.1	-41.1	170.2	-88.5	-175.3	171.7	-175	0	111.1	C90 Q91 A96 E97 I98	C90-K94 WeakPolarHBondContact O-CB 3.22Å; C90-K94 WeakPolarHBondContact O-CG 3.18Å; C90-K94 PolarHBondContact O-N 3.12Å; Q91-K94 WeakPolarHBondContact O-CB 3.49Å; Q91-K94 PolarHBondContact O-N 2.8Å; K94-A96 PolarHBondContact O-N 3.09Å; K94-E97 PolarHBondContact O-N 3.23Å; K94-I98 WeakPolarHBondContact O-CB 3.48Å; K94-I98 WeakPolarHBondContact O-CD1 3.49Å; K94-I98 WeakPolarHBondContact O-CG1 3.5Å; K94-I98 PolarHBondContact O-N 2.74Å
95	D	41.3	Very low	43.8	Very low	103 Å²	103	111.1 Å²	111.1	55%	0.551	57%	0.566	S	S	*	*	H	α-helix	trans	-64.5	-30.9	174.6	-66	-23.2	0	0	0	111.9	Q91 V93	Q91-D95 PolarHBondContact O-N 3.44Å; V93-D95 VanDerWaalsContact C-N 3.3Å; V93-D95 PolarHBondContact O-N 2.82Å
96	A	40.7	Very low	42.5	Very low	53 Å²	53	107.6 Å²	107.6	44%	0.438	55%	0.547	S	S	.	.	H	α-helix	trans	-79.5	-37.3	174.7	0	0	0	0	0	113.7	T92 V93 K94 I98 N99 H100	T92-A96 PolarHBondContact O-N 3.29Å; T92-A96 VanDerWaalsContact O-N 3.07Å; V93-A96 CarbonylContact O-C 3.55Å; V93-A96 PolarHBondContact O-N 3.32Å; V93-A96 VanDerWaalsContact O-N 3.1Å; K94-A96 PolarHBondContact O-N 3.09Å; A96-I98 VanDerWaalsContact C-N 3.35Å; A96-N99 WeakPolarHBondContact O-CB 3.36Å; A96-N99 PolarHBondContact O-N 2.81Å; A96-N99 VanDerWaalsContact O-N 3.12Å; A96-H100 PolarHBondContact O-N 3.07Å
97	E	35.3	Very low	42	Very low	114 Å²	114	111.7 Å²	111.7	53%	0.533	56%	0.564	S	S	.	*	H	α-helix	trans	-72.1	-28.9	175.6	-82	-173.1	156.6	0	0	111.9	V93 K94 N99 H100 L101	V93-E97 HydrophobicContact CG1-CG 4.35Å; V93-E97 PolarHBondContact O-N 3.24Å; K94-E97 PolarHBondContact O-N 3.23Å; E97-N99 PolarHBondContact O-N 3.19Å; E97-H100 PolarHBondContact O-N 3.25Å; E97-L101 HydrophobicContact CB-CD1 4.45Å; E97-L101 PolarHBondContact O-N 2.57Å
98	I	35.3	Very low	41.4	Very low	93 Å²	93	112.9 Å²	112.9	48%	0.477	58%	0.575	S	S	.	*	H	α-helix	trans	-59.1	-25.7	168.3	-72.6	164.4	0	0	0	111.2	K94 A96	K94-I98 WeakPolarHBondContact O-CB 3.48Å; K94-I98 WeakPolarHBondContact O-CD1 3.49Å; K94-I98 WeakPolarHBondContact O-CG1 3.5Å; K94-I98 PolarHBondContact O-N 2.74Å; A96-I98 VanDerWaalsContact C-N 3.35Å
99	N	34.7	Very low	40.9	Very low	115 Å²	115	108.7 Å²	108.7	62%	0.615	56%	0.562	S	S	*	*	H	α-helix	trans	-81.7	-24	173.1	-70.1	-34.4	0	0	0	113.6	A96 E97	A96-N99 WeakPolarHBondContact O-CB 3.36Å; A96-N99 PolarHBondContact O-N 2.81Å; A96-N99 VanDerWaalsContact O-N 3.12Å; E97-N99 PolarHBondContact O-N 3.19Å
100	H	34	Very low	40.4	Very low	168 Å²	168	106.1 Å²	106.1	78%	0.778	56%	0.561	S	S	*	*	H	α-helix	trans	-95.1	-23.5	-179.3	-94.2	-52.4	0	0	0	114.9	A96 E97 K102	A96-H100 PolarHBondContact O-N 3.07Å; E97-H100 PolarHBondContact O-N 3.25Å; H100-K102 PolarHBondContact O-N 2.94Å
101	L	31.7	Very low	40.4	Very low	126 Å²	126	107.5 Å²	107.5	66%	0.66	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-7.2	174.4	-94.7	117.7	0	0	0	114.1	E97 C103	E97-L101 HydrophobicContact CB-CD1 4.45Å; E97-L101 PolarHBondContact O-N 2.57Å; L101-C103 PolarHBondContact O-N 2.84Å
102	K	40.2	Very low	40.1	Very low	94 Å²	94	106.3 Å²	106.3	41%	0.409	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.9	-5.2	-174.9	-83.7	-179.6	177.1	178.6	0	116.5	H100 L124	H100-K102 PolarHBondContact O-N 2.94Å; K102-L124 HydrophobicContact CD-CD2 4.09Å
103	C	35.4	Very low	40.2	Very low	97 Å²	97	112.2 Å²	112.2	66%	0.655	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-22.4	179.8	-76.4	0	0	0	0	115.2	L101	L101-C103 PolarHBondContact O-N 2.84Å
104	N	39	Very low	40.4	Very low	148 Å²	148	115.7 Å²	115.7	79%	0.791	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-17.6	-171.9	-72.8	-8.2	0	0	0	114.4
105	E	41	Very low	40.4	Very low	177 Å²	177	110.7 Å²	110.7	83%	0.827	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-0.8	178.8	-70	-170.4	155.2	0	0	113.8
106	L	40.5	Very low	41	Very low	28 Å²	28	109.9 Å²	109.9	15%	0.147	59%	0.59	C	S	.	*			trans	-113.2	20.8	-170.3	-80.9	165.6	0	0	0	114.9	E108 I109 C110	L106-E108 PolarHBondContact O-N 2.8Å; L106-E108 VanDerWaalsContact O-N 3.1Å; L106-I109 HydrophobicContact CD2-CB 4.12Å; L106-I109 HydrophobicContact CD2-CD1 3.61Å; L106-I109 HydrophobicContact CD2-CG1 3.93Å; L106-I109 PolarHBondContact O-N 3.29Å; L106-C110 PolarHBondContact O-N 3.39Å
107	D	46	Very low	41.6	Very low	126 Å²	126	113.6 Å²	113.6	67%	0.674	60%	0.603	S	S	*	*	H	α-helix	trans	-57.7	-29.7	-175.2	-128.3	15.6	0	0	0	113.5	T111	D107-T111 WeakPolarHBondContact O-CG2 3.41Å; D107-T111 PolarHBondContact O-OG1 3.35Å
108	E	43.8	Very low	42.5	Very low	179 Å²	179	112.1 Å²	112.1	84%	0.836	60%	0.599	S	S	*	*	H	α-helix	trans	-77.1	-23.1	175.7	-88.8	-175.3	167.3	0	0	114.1	L106	L106-E108 PolarHBondContact O-N 2.8Å; L106-E108 VanDerWaalsContact O-N 3.1Å
109	I	43.2	Very low	43.2	Very low	61 Å²	61	112.7 Å²	112.7	31%	0.313	60%	0.602	S	S	.	*	H	α-helix	trans	-89.7	-37	177.4	-55.9	-167.1	0	0	0	110.4	L106 T111 S112 A115 L120	L106-I109 HydrophobicContact CD2-CB 4.12Å; L106-I109 HydrophobicContact CD2-CD1 3.61Å; L106-I109 HydrophobicContact CD2-CG1 3.93Å; L106-I109 PolarHBondContact O-N 3.29Å; I109-T111 PolarHBondContact O-N 3.21Å; I109-S112 PolarHBondContact O-N 3.05Å; I109-S112 PolarHBondContact O-OG 3.12Å; I109-A115 HydrophobicContact CG2-CB 4.15Å; I109-L120 HydrophobicContact CG2-CD1 4.02Å
110	C	39.1	Very low	43.8	Very low	91 Å²	91	109.9 Å²	109.9	62%	0.615	59%	0.587	S	S	*	*	H	α-helix	trans	-68	-17.5	179.3	-66.8	0	0	0	0	113.9	L106	L106-C110 PolarHBondContact O-N 3.39Å
111	T	45.2	Very low	44.6	Very low	108 Å²	108	107.3 Å²	107.3	66%	0.663	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-0.1	178.5	49.1	0	0	0	0	114.1	D107 I109	D107-T111 WeakPolarHBondContact O-CG2 3.41Å; D107-T111 PolarHBondContact O-OG1 3.35Å; I109-T111 PolarHBondContact O-N 3.21Å
112	S	42.1	Very low	45.5	Very low	58 Å²	58	108.5 Å²	108.5	41%	0.406	57%	0.571	S	S	.	*			trans	-91.5	110.2	172.4	82.2	0	0	0	0	110.2	I109 N114 A115	I109-S112 PolarHBondContact O-N 3.05Å; I109-S112 PolarHBondContact O-OG 3.12Å; S112-N114 PolarHBondContact O-N 3.31Å; S112-A115 PolarHBondContact O-N 3.2Å; S112-A115 WeakPolarHBondContact OG-CB 3.32Å
113	E	49.1	Very low	45.7	Very low	199 Å²	199	105.2 Å²	105.2	93%	0.93	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	0.2	175.9	-81.6	-177.4	154.9	0	0	114.2
114	N	49.7	Very low	46.2	Very low	149 Å²	149	103.2 Å²	103.2	80%	0.797	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	12.6	-178.5	-77.1	-27.7	0	0	0	114.4	S112 T116	S112-N114 PolarHBondContact O-N 3.31Å; N114-T116 PolarHBondContact O-N 2.84Å
115	A	41.2	Very low	46.5	Very low	38 Å²	38	101.1 Å²	101.1	31%	0.314	53%	0.529	S	S	.	.			trans	-71.6	94.9	171.6	0	0	0	0	0	110	I109 S112	I109-A115 HydrophobicContact CG2-CB 4.15Å; S112-A115 PolarHBondContact O-N 3.2Å; S112-A115 WeakPolarHBondContact OG-CB 3.32Å
116	T	54	Low	46.6	Very low	85 Å²	85	96.2 Å²	96.2	52%	0.521	51%	0.514	S	S	.	.			trans	-58.6	141.8	167.9	48.7	0	0	0	0	110.2	N114 D118 L119	N114-T116 PolarHBondContact O-N 2.84Å; T116-D118 PolarHBondContact O-N 3.01Å; T116-L119 PolarHBondContact O-N 2.97Å
117	D	53.9	Low	46.7	Very low	132 Å²	132	99 Å²	99	71%	0.706	53%	0.529	S	S	*	.	H	α-helix	trans	-43.8	-34.7	177.6	-97.7	-23.8	0	0	0	113.6	L119 L120 Q121	D117-L119 PolarHBondContact O-N 3.26Å; D117-L120 PolarHBondContact O-N 3.2Å; D117-Q121 WeakPolarHBondContact O-CB 3.39Å; D117-Q121 PolarHBondContact O-N 2.69Å
118	D	54.5	Low	46.4	Very low	82 Å²	82	96.1 Å²	96.1	44%	0.439	52%	0.518	S	S	.	.	H	α-helix	trans	-62.8	-37.8	178.3	-177	46	0	0	0	113.9	T116 Q121 R122	T116-D118 PolarHBondContact O-N 3.01Å; D118-Q121 PolarHBondContact O-N 2.52Å; D118-R122 VanDerWaalsContact O-CG 3.32Å; D118-R122 WeakPolarHBondContact O-CG 3.21Å; D118-R122 PolarHBondContact O-N 3.09Å; D118-R122 IonicContact OD1-CZ 3.3Å; D118-R122 IonicContact OD1-NE 3.86Å; D118-R122 PolarHBondContact OD1-NE 3.34Å; D118-R122 IonicContact OD1-NH2 3.6Å; D118-R122 IonicContact OD2-CZ 2.73Å; D118-R122 VanDerWaalsContact OD2-CZ 3.24Å; D118-R122 IonicContact OD2-NE 3.1Å; D118-R122 PolarHBondContact OD2-NE 2.87Å; D118-R122 IonicContact OD2-NH2 3.66Å; D118-R122 PolarHBondContact OD2-NH2 2.78Å
119	L	48.6	Very low	46.1	Very low	105 Å²	105	93.8 Å²	93.8	55%	0.55	51%	0.512	S	S	.	.	H	α-helix	trans	-69	-40.8	176.9	-91.9	159.9	0	0	0	111.2	T116 D117 Q121 A123	T116-L119 PolarHBondContact O-N 2.97Å; D117-L119 PolarHBondContact O-N 3.26Å; L119-Q121 VanDerWaalsContact C-N 3.33Å; L119-A123 WeakPolarHBondContact O-CB 3.12Å; L119-A123 PolarHBondContact O-N 3.2Å
120	L	47.2	Very low	45.9	Very low	56 Å²	56	100.1 Å²	100.1	29%	0.293	53%	0.532	S	S	.	.	H	α-helix	trans	-64	-42.3	176.1	-162.7	80.3	0	0	0	110.3	I109 D117 A123 L124	I109-L120 HydrophobicContact CG2-CD1 4.02Å; D117-L120 PolarHBondContact O-N 3.2Å; L120-A123 PolarHBondContact O-N 2.98Å; L120-L124 HydrophobicContact CD2-CD1 4.34Å; L120-L124 HydrophobicContact CG-CD1 4.11Å; L120-L124 VanDerWaalsContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CB 3.39Å; L120-L124 WeakPolarHBondContact O-CD1 3.45Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.37Å; L120-L124 PolarHBondContact O-N 3.02Å
121	Q	52.1	Low	46.1	Very low	114 Å²	114	99.7 Å²	99.7	53%	0.533	53%	0.529	S	S	.	.	H	α-helix	trans	-65.5	-44.7	179.6	-164.7	130.3	-0.7	0	0	112.1	D117 D118 L119 A123 L124 E125	D117-Q121 WeakPolarHBondContact O-CB 3.39Å; D117-Q121 PolarHBondContact O-N 2.69Å; D118-Q121 PolarHBondContact O-N 2.52Å; L119-Q121 VanDerWaalsContact C-N 3.33Å; Q121-A123 PolarHBondContact O-N 3.33Å; Q121-L124 PolarHBondContact O-N 3.26Å; Q121-E125 WeakPolarHBondContact O-CB 3.1Å; Q121-E125 WeakPolarHBondContact O-CG 3.37Å; Q121-E125 PolarHBondContact O-N 2.86Å
122	R	49.9	Very low	46.2	Very low	152 Å²	152	100.8 Å²	100.8	57%	0.574	53%	0.529	S	S	*	.	H	α-helix	trans	-65.1	-38.7	175.1	-68.7	179.5	-156.7	-167	6.6	112.7	D118 E125 S126	D118-R122 VanDerWaalsContact O-CG 3.32Å; D118-R122 WeakPolarHBondContact O-CG 3.21Å; D118-R122 PolarHBondContact O-N 3.09Å; D118-R122 IonicContact OD1-CZ 3.3Å; D118-R122 IonicContact OD1-NE 3.86Å; D118-R122 PolarHBondContact OD1-NE 3.34Å; D118-R122 IonicContact OD1-NH2 3.6Å; D118-R122 IonicContact OD2-CZ 2.73Å; D118-R122 VanDerWaalsContact OD2-CZ 3.24Å; D118-R122 IonicContact OD2-NE 3.1Å; D118-R122 PolarHBondContact OD2-NE 2.87Å; D118-R122 IonicContact OD2-NH2 3.66Å; D118-R122 PolarHBondContact OD2-NH2 2.78Å; R122-E125 PolarHBondContact O-N 3.48Å; R122-S126 WeakPolarHBondContact O-CB 3.17Å; R122-S126 PolarHBondContact O-N 3.23Å
123	A	43.8	Very low	46.8	Very low	24 Å²	24	102.6 Å²	102.6	20%	0.198	53%	0.529	C	S	.	.	H	α-helix	trans	-63.8	-45.4	175.1	0	0	0	0	0	110.9	L119 L120 Q121 S126 L127	L119-A123 WeakPolarHBondContact O-CB 3.12Å; L119-A123 PolarHBondContact O-N 3.2Å; L120-A123 PolarHBondContact O-N 2.98Å; Q121-A123 PolarHBondContact O-N 3.33Å; A123-S126 PolarHBondContact O-N 3.4Å; A123-S126 PolarHBondContact O-OG 3.17Å; A123-L127 WeakPolarHBondContact O-CB 3.46Å; A123-L127 WeakPolarHBondContact O-CG 3.35Å; A123-L127 PolarHBondContact O-N 2.84Å
124	L	46	Very low	47.6	Very low	55 Å²	55	97.4 Å²	97.4	29%	0.288	51%	0.508	S	S	.	.	H	α-helix	trans	-62.3	-41	175.6	-77.9	166.2	0	0	0	112.5	K102 L120 Q121 L127 S128	K102-L124 HydrophobicContact CD-CD2 4.09Å; L120-L124 HydrophobicContact CD2-CD1 4.34Å; L120-L124 HydrophobicContact CG-CD1 4.11Å; L120-L124 VanDerWaalsContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CB 3.39Å; L120-L124 WeakPolarHBondContact O-CD1 3.45Å; L120-L124 VanDerWaalsContact O-CG 3.26Å; L120-L124 WeakPolarHBondContact O-CG 3.37Å; L120-L124 PolarHBondContact O-N 3.02Å; Q121-L124 PolarHBondContact O-N 3.26Å; L124-L127 PolarHBondContact O-N 3.35Å; L124-S128 WeakPolarHBondContact O-CB 3.25Å; L124-S128 PolarHBondContact O-N 2.86Å; L124-S128 PolarHBondContact O-OG 3.49Å
125	E	46.1	Very low	49	Very low	105 Å²	105	90.8 Å²	90.8	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-66.1	-39.5	174.5	-77.8	177	-178.7	0	0	111.5	Q121 R122 L127 S128 N129	Q121-E125 WeakPolarHBondContact O-CB 3.1Å; Q121-E125 WeakPolarHBondContact O-CG 3.37Å; Q121-E125 PolarHBondContact O-N 2.86Å; R122-E125 PolarHBondContact O-N 3.48Å; E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 3.13Å; E125-S128 PolarHBondContact O-N 2.81Å; E125-S128 PolarHBondContact O-OG 3.26Å; E125-N129 VanDerWaalsContact O-CB 3.31Å; E125-N129 WeakPolarHBondContact O-CB 3.29Å; E125-N129 PolarHBondContact O-N 2.89Å
126	S	43.1	Very low	51.2	Low	73 Å²	73	93.9 Å²	93.9	51%	0.51	48%	0.476	S	S	.	.	H	α-helix	trans	-65.9	-36.8	176.1	82.7	0	0	0	0	112.1	R122 A123 R130	R122-S126 WeakPolarHBondContact O-CB 3.17Å; R122-S126 PolarHBondContact O-N 3.23Å; A123-S126 PolarHBondContact O-N 3.4Å; A123-S126 PolarHBondContact O-OG 3.17Å; S126-R130 PolarHBondContact O-N 3.36Å
127	L	41	Very low	52.9	Low	87 Å²	87	90 Å²	90	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-75.8	-37	176.6	-74.9	163.4	0	0	0	112	A123 L124 E125 R130	A123-L127 WeakPolarHBondContact O-CB 3.46Å; A123-L127 WeakPolarHBondContact O-CG 3.35Å; A123-L127 PolarHBondContact O-N 2.84Å; L124-L127 PolarHBondContact O-N 3.35Å; E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 3.13Å; L127-R130 WeakPolarHBondContact O-CB 3.37Å; L127-R130 PolarHBondContact O-N 3.42Å
128	S	41	Very low	54.6	Low	65 Å²	65	86.3 Å²	86.3	46%	0.455	44%	0.436	S	S	.	.	H	α-helix	trans	-71.1	-32.2	175.2	72.8	0	0	0	0	112.3	L124 E125 R130 S131	L124-S128 WeakPolarHBondContact O-CB 3.25Å; L124-S128 PolarHBondContact O-N 2.86Å; L124-S128 PolarHBondContact O-OG 3.49Å; E125-S128 PolarHBondContact O-N 2.81Å; E125-S128 PolarHBondContact O-OG 3.26Å; S128-R130 PolarHBondContact O-N 3.12Å; S128-S131 PolarHBondContact O-N 3.18Å
129	N	37.8	Very low	56.3	Low	130 Å²	130	87.5 Å²	87.5	70%	0.695	44%	0.435	S	S	*	.	H	α-helix	trans	-72	-15.9	172.3	-86.5	-12.9	0	0	0	113.1	E125 S131	E125-N129 VanDerWaalsContact O-CB 3.31Å; E125-N129 WeakPolarHBondContact O-CB 3.29Å; E125-N129 PolarHBondContact O-N 2.89Å; N129-S131 PolarHBondContact O-N 3.41Å
130	R	39.3	Very low	58.4	Low	195 Å²	195	84.4 Å²	84.4	74%	0.736	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	29.9	159.4	-79.7	-174.3	175.1	-176.3	-1.6	112.5	S126 L127 S128 M132	S126-R130 PolarHBondContact O-N 3.36Å; L127-R130 WeakPolarHBondContact O-CB 3.37Å; L127-R130 PolarHBondContact O-N 3.42Å; S128-R130 PolarHBondContact O-N 3.12Å; R130-M132 PolarHBondContact O-N 3.45Å
131	S	42.7	Very low	60.7	Low	81 Å²	81	81.8 Å²	81.8	57%	0.566	41%	0.407	S	S	*	.	S	Bend	trans	-45.5	113.3	152.8	111.2	0	0	0	0	105.3	S128 N129 K133	S128-S131 PolarHBondContact O-N 3.18Å; N129-S131 PolarHBondContact O-N 3.41Å; S131-K133 VanDerWaalsContact C-N 3.33Å; S131-K133 PolarHBondContact O-N 3Å
132	M	46.4	Very low	62.7	Low	131 Å²	131	78.7 Å²	78.7	65%	0.645	39%	0.393	S	S	*	.			trans	-45.2	99.6	-176.7	-122.2	172.2	60.2	0	0	107.5	R130 D134 Y538	R130-M132 PolarHBondContact O-N 3.45Å; M132-D134 PolarHBondContact O-N 2.04Å; M132-Y538 HydrophobicContact CE-CD1 3.9Å; M132-Y538 HydrophobicContact CE-CE1 3.27Å; M132-Y538 HydrophobicContact CG-CD1 4.39Å; M132-Y538 HydrophobicContact CG-CE1 4.4Å; M132-Y538 HydrophobicContact SD-CD1 4.3Å; M132-Y538 HydrophobicContact SD-CE1 3.73Å
133	K	54.9	Low	65	Low	97 Å²	97	71.8 Å²	71.8	42%	0.422	37%	0.368	S	S	.	.			trans	-69.1	107.3	178.4	-78.5	-172.9	178.8	-176.5	0	103.8	S131 V135	S131-K133 VanDerWaalsContact C-N 3.33Å; S131-K133 PolarHBondContact O-N 3Å; K133-V135 PolarHBondContact O-N 2.66Å
134	D	66.7	Low	67.5	Low	89 Å²	89	72.1 Å²	72.1	48%	0.476	37%	0.369	S	S	.	.			trans	-61.7	108	170.1	-165.6	-14.1	0	0	0	106.3	M132 R136	M132-D134 PolarHBondContact O-N 2.04Å; D134-R136 PolarHBondContact O-N 3.28Å; D134-R136 VanDerWaalsContact OD1-CB 3.28Å; D134-R136 WeakPolarHBondContact OD1-CB 3.32Å; D134-R136 WeakPolarHBondContact OD1-CG 3.4Å; D134-R136 IonicContact OD1-CZ 3.67Å; D134-R136 PolarHBondContact OD1-N 3.5Å; D134-R136 IonicContact OD1-NE 3.94Å; D134-R136 PolarHBondContact OD1-NE 2.85Å; D134-R136 IonicContact OD1-NH2 3.93Å; D134-R136 IonicContact OD2-CZ 3.74Å; D134-R136 IonicContact OD2-NE 2.63Å; D134-R136 PolarHBondContact OD2-NE 3.31Å; D134-R136 IonicContact OD2-NH2 2.71Å; D134-R136 PolarHBondContact OD2-NH2 2.89Å
135	V	78.7	Confident	70	Confident	11 Å²	11	72 Å²	72	7%	0.067	37%	0.366	C	S	.	.			trans	-77	-0.1	-178.7	-61.2	0	0	0	0	112.2	K133 L241 W243 W481 Y538 Y539	K133-V135 PolarHBondContact O-N 2.66Å; V135-L241 HydrophobicContact CB-CD2 4.3Å; V135-L241 HydrophobicContact CG1-CD2 3.72Å; V135-W243 WeakPolarHBondContact O-CZ3 3.35Å; V135-W481 HydrophobicContact CG2-CZ2 4.12Å; V135-Y538 WeakPolarHBondContact CB-O 3.46Å; V135-Y538 WeakPolarHBondContact CG1-O 3.25Å; V135-Y538 WeakPolarHBondContact CG2-O 3.21Å; V135-Y539 HydrophobicContact CG1-CD1 3.92Å; V135-Y539 HydrophobicContact CG1-CE1 4.13Å
136	R	86.7	Confident	72.5	Confident	102 Å²	102	67 Å²	67	39%	0.385	34%	0.343	S	S	.	.	S	Bend	trans	-84.3	137.2	179.5	-62.2	175	-64.9	-177.8	5.3	110.6	D134 E309 W481	D134-R136 PolarHBondContact O-N 3.28Å; D134-R136 VanDerWaalsContact OD1-CB 3.28Å; D134-R136 WeakPolarHBondContact OD1-CB 3.32Å; D134-R136 WeakPolarHBondContact OD1-CG 3.4Å; D134-R136 IonicContact OD1-CZ 3.67Å; D134-R136 PolarHBondContact OD1-N 3.5Å; D134-R136 IonicContact OD1-NE 3.94Å; D134-R136 PolarHBondContact OD1-NE 2.85Å; D134-R136 IonicContact OD1-NH2 3.93Å; D134-R136 IonicContact OD2-CZ 3.74Å; D134-R136 IonicContact OD2-NE 2.63Å; D134-R136 PolarHBondContact OD2-NE 3.31Å; D134-R136 IonicContact OD2-NH2 2.71Å; D134-R136 PolarHBondContact OD2-NH2 2.89Å; R136-E309 WeakPolarHBondContact CA-OE1 3.2Å; R136-W481 HydrophobicContact CG-CD2 3.96Å; R136-W481 HydrophobicContact CG-CE3 3.94Å; R136-W481 HydrophobicContact CG-CH2 3.54Å; R136-W481 HydrophobicContact CG-CZ2 3.53Å; R136-W481 HydrophobicContact CG-CZ3 3.73Å
137	L	90.4	Very high	75.1	Confident	4 Å²	4	66.4 Å²	66.4	2%	0.021	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-64.6	139.6	172.8	-67.2	174	0	0	0	110.2	F182 H184 W243 W307 E309 F312	L137-F182 HydrophobicContact CD2-CB 3.37Å; L137-F182 HydrophobicContact CD2-CG 4.36Å; L137-H184 WeakPolarHBondContact CD1-CE1 3.36Å; L137-H184 WeakPolarHBondContact CD1-ND1 3.46Å; L137-W243 HydrophobicContact CD2-CD2 4.17Å; L137-W243 HydrophobicContact CD2-CE3 3.38Å; L137-W243 HydrophobicContact CD2-CZ3 3.61Å; L137-W243 HydrophobicContact CG-CE3 4.14Å; L137-W243 HydrophobicContact CG-CZ3 4.15Å; L137-W307 HydrophobicContact CD1-CB 4.18Å; L137-W307 HydrophobicContact CD1-CG 3.92Å; L137-E309 WeakPolarHBondContact CB-OE1 2.8Å; L137-E309 VanDerWaalsContact CG-OE1 3.31Å; L137-E309 WeakPolarHBondContact CG-OE1 3.39Å; L137-E309 PolarHBondContact N-OE1 2.98Å; L137-F312 HydrophobicContact CB-CE2 3.8Å; L137-F312 HydrophobicContact CB-CZ 3.9Å; L137-F312 HydrophobicContact CD1-CE2 4.3Å
138	P	90	Very high	77.8	Confident	54 Å²	54	62.3 Å²	62.3	35%	0.351	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-69.3	143	174.1	28.7	-34.1	0	0	0	111.2	T140 F182	P138-T140 PolarHBondContact O-N 3.3Å; P138-F182 HydrophobicContact CG-CD2 3.91Å; P138-F182 HydrophobicContact CG-CE2 4.05Å
139	Y	90.6	Very high	80.6	Confident	108 Å²	108	63.1 Å²	63.1	42%	0.424	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	22.3	175.2	-75.1	-100.4	0	0	0	114	I142 S175 G311 F312	Y139-I142 HydrophobicContact CD1-CG2 4.11Å; Y139-S175 PolarHBondContact O-OG 3.43Å; Y139-G311 WeakPolarHBondContact OH-CA 3.5Å; Y139-G311 PolarHBondContact OH-O 2.82Å; Y139-F312 HydrophobicContact CD1-CD1 4.21Å; Y139-F312 AromaticContact CD1-CE1 3.56Å; Y139-F312 HydrophobicContact CD1-CE1 3.56Å; Y139-F312 HydrophobicContact CD1-CZ 4.3Å; Y139-F312 HydrophobicContact CD2-CE1 4.24Å; Y139-F312 HydrophobicContact CD2-CZ 4.19Å; Y139-F312 AromaticContact CE1-CD1 3.97Å; Y139-F312 HydrophobicContact CE1-CD1 3.97Å; Y139-F312 AromaticContact CE1-CE1 3.57Å; Y139-F312 HydrophobicContact CE1-CE1 3.57Å; Y139-F312 HydrophobicContact CE1-CZ 4.17Å; Y139-F312 HydrophobicContact CE2-CE1 4.25Å; Y139-F312 HydrophobicContact CE2-CZ 4.06Å; Y139-F312 AromaticContact CG-CE1 3.91Å; Y139-F312 HydrophobicContact CG-CE1 3.91Å; Y139-F312 HydrophobicContact CG-CZ 4.32Å; Y139-F312 AromaticContact CZ-CE1 3.94Å
140	T	92.9	Very high	83.5	Confident	39 Å²	39	57 Å²	57	24%	0.239	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-40.6	-179.5	-57.4	0	0	0	0	112	P138 S175 V176 T178	P138-T140 PolarHBondContact O-N 3.3Å; T140-S175 WeakPolarHBondContact CA-OG 3.46Å; T140-S175 PolarHBondContact O-N 3.4Å; T140-S175 PolarHBondContact O-OG 2.96Å; T140-S175 VanDerWaalsContact O-OG 3.08Å; T140-V176 HydrophobicContact CG2-CB 4.13Å; T140-V176 WeakPolarHBondContact CG2-O 3.38Å; T140-T178 HydrophobicContact CG2-CG2 3.69Å
141	V	93.8	Very high	86.2	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.012	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.7	173.1	179.2	0	0	0	0	106.4	I172 Y173 T178 F181 L252 W307	V141-I172 HydrophobicContact CG1-CB 3.87Å; V141-I172 HydrophobicContact CG1-CD1 3.8Å; V141-I172 HydrophobicContact CG1-CG1 4.24Å; V141-I172 HydrophobicContact CG1-CG2 4.4Å; V141-Y173 WeakPolarHBondContact CA-O 3.46Å; V141-T178 HydrophobicContact CG2-CG2 3.83Å; V141-F181 HydrophobicContact CB-CB 3.88Å; V141-F181 HydrophobicContact CB-CD2 4.47Å; V141-F181 HydrophobicContact CB-CG 4.17Å; V141-F181 HydrophobicContact CG1-CB 4.49Å; V141-F181 HydrophobicContact CG1-CD2 4.23Å; V141-F181 HydrophobicContact CG1-CG 4.26Å; V141-F181 HydrophobicContact CG2-CB 3.68Å; V141-F181 HydrophobicContact CG2-CD1 4.33Å; V141-F181 HydrophobicContact CG2-CG 4.04Å; V141-L252 HydrophobicContact CG2-CD1 3.97Å; V141-W307 HydrophobicContact CB-CZ2 4.19Å; V141-W307 HydrophobicContact CG1-CH2 4.14Å; V141-W307 HydrophobicContact CG1-CZ2 3.74Å; V141-W307 PolarHBondContact O-NE1 3.29Å
142	I	95.3	Very high	88.8	Confident	49 Å²	49	46.1 Å²	46.1	25%	0.251	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.3	-175.7	65.1	177.3	0	0	0	110.5	Y139 I172 Y173 F312	Y139-I142 HydrophobicContact CD1-CG2 4.11Å; I142-I172 CarbonylContact O-C 3.33Å; I142-I172 WeakPolarHBondContact O-CA 3.42Å; I142-Y173 HydrophobicContact CD1-CD1 4.1Å; I142-Y173 HydrophobicContact CG1-CD1 4.06Å; I142-Y173 PolarHBondContact N-O 3.14Å; I142-Y173 PolarHBondContact O-N 2.67Å; I142-F312 HydrophobicContact CB-CD1 4.19Å; I142-F312 HydrophobicContact CB-CE1 4.45Å; I142-F312 HydrophobicContact CG2-CD1 3.86Å; I142-F312 HydrophobicContact CG2-CE1 3.66Å
143	P	97.5	Very high	91	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.039	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	153.2	175	35.8	-39.1	0	0	0	110.4	Y146 I170 W307 F312 A314	P143-Y146 HydrophobicContact CB-CE2 3.53Å; P143-Y146 WeakPolarHBondContact CB-OH 3.34Å; P143-Y146 HydrophobicContact CG-CE2 4.03Å; P143-Y146 WeakPolarHBondContact CG-OH 3.35Å; P143-I170 HydrophobicContact CB-CG2 4Å; P143-W307 HydrophobicContact CB-CD2 4.49Å; P143-W307 HydrophobicContact CB-CE3 4.1Å; P143-W307 HydrophobicContact CG-CB 3.91Å; P143-W307 HydrophobicContact CG-CD2 4.21Å; P143-W307 HydrophobicContact CG-CE3 4.26Å; P143-W307 HydrophobicContact CG-CG 4.07Å; P143-F312 HydrophobicContact CG-CB 4.05Å; P143-A314 HydrophobicContact CB-CB 4.27Å; P143-A314 HydrophobicContact CG-CB 4.43Å
144	S	96.3	Very high	92.7	Very high	32 Å²	32	36.6 Å²	36.6	22%	0.224	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	-29.1	172.4	61.2	0	0	0	0	112.5	K171 Q315	S144-K171 PolarHBondContact N-O 3.13Å; S144-K171 WeakPolarHBondContact OG-CG 3.5Å; S144-K171 PolarHBondContact OG-O 3.19Å; S144-Q315 PolarHBondContact O-N 3.25Å
145	F	98.4	Very high	93	Very high	51 Å²	51	35.9 Å²	35.9	22%	0.224	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	139.3	178.9	-171.2	-85.4	0	0	0	110.4	D147 I170 K171 Q315 Q317 P351	F145-D147 HydrophobicContact CE1-CB 4.05Å; F145-I170 CarbonylContact O-C 3.49Å; F145-I170 WeakPolarHBondContact O-CA 3.41Å; F145-K171 HydrophobicContact CB-CB 3.87Å; F145-K171 PolarHBondContact N-O 2.73Å; F145-K171 PolarHBondContact O-N 3.31Å; F145-Q315 CarbonylContact C-O 3.57Å; F145-Q315 WeakPolarHBondContact CA-O 3.32Å; F145-Q315 HydrophobicContact CD2-CB 3.72Å; F145-Q315 HydrophobicContact CE2-CB 4.13Å; F145-Q317 HydrophobicContact CE1-CB 4.05Å; F145-Q317 HydrophobicContact CZ-CB 3.6Å; F145-P351 HydrophobicContact CE2-CB 4.08Å; F145-P351 HydrophobicContact CE2-CG 4.34Å; F145-P351 HydrophobicContact CZ-CG 4.46Å
146	Y	98.7	Very high	92.4	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.9	171.7	-67.5	-96.4	0	0	0	109.4	P143 V168 I170 F304 C306 W307 A314 Q315 F316 Q317	P143-Y146 HydrophobicContact CB-CE2 3.53Å; P143-Y146 WeakPolarHBondContact CB-OH 3.34Å; P143-Y146 HydrophobicContact CG-CE2 4.03Å; P143-Y146 WeakPolarHBondContact CG-OH 3.35Å; Y146-V168 HydrophobicContact CD1-CG2 3.95Å; Y146-I170 HydrophobicContact CD1-CB 4.33Å; Y146-I170 HydrophobicContact CD1-CD1 4.05Å; Y146-I170 HydrophobicContact CD1-CG1 3.67Å; Y146-I170 HydrophobicContact CD1-CG2 3.94Å; Y146-I170 HydrophobicContact CE1-CB 4.38Å; Y146-I170 HydrophobicContact CE1-CD1 3.65Å; Y146-I170 HydrophobicContact CE1-CG1 3.77Å; Y146-I170 HydrophobicContact CE1-CG2 3.73Å; Y146-I170 HydrophobicContact CG-CG2 4.42Å; Y146-F304 HydrophobicContact CD1-CD2 4.46Å; Y146-F304 AromaticContact CD1-CE2 3.92Å; Y146-F304 HydrophobicContact CD1-CE2 3.92Å; Y146-F304 HydrophobicContact CE1-CE2 4.01Å; Y146-C306 HydrophobicContact CE1-CB 3.75Å; Y146-W307 PolarHBondContact OH-N 3.31Å; Y146-W307 VanDerWaalsContact OH-N 3.11Å; Y146-A314 HydrophobicContact CD2-CB 3.58Å; Y146-A314 HydrophobicContact CE2-CB 3.5Å; Y146-A314 VanDerWaalsContact CE2-CB 3.5Å; Y146-Q315 PolarHBondContact N-O 2.92Å; Y146-F316 HydrophobicContact CD1-CE1 4.3Å; Y146-F316 AromaticContact CD2-CD1 3.71Å; Y146-F316 HydrophobicContact CD2-CD1 3.71Å; Y146-F316 AromaticContact CD2-CE1 3.26Å; Y146-F316 HydrophobicContact CD2-CE1 3.26Å; Y146-F316 HydrophobicContact CD2-CE2 4.37Å; Y146-F316 HydrophobicContact CD2-CG 4.42Å; Y146-F316 AromaticContact CD2-CZ 3.65Å; Y146-F316 HydrophobicContact CD2-CZ 3.65Å; Y146-F316 AromaticContact CE2-CE1 3.69Å; Y146-F316 HydrophobicContact CE2-CE1 3.69Å; Y146-F316 AromaticContact CE2-CZ 3.77Å; Y146-F316 HydrophobicContact CE2-CZ 3.77Å; Y146-F316 AromaticContact CG-CD1 3.79Å; Y146-F316 HydrophobicContact CG-CD1 3.79Å; Y146-F316 AromaticContact CG-CE1 3.62Å; Y146-F316 HydrophobicContact CG-CE1 3.62Å; Y146-F316 HydrophobicContact CG-CZ 4.44Å; Y146-Q317 PolarHBondContact O-N 3.27Å
147	D	98.2	Very high	91.6	Very high	61 Å²	61	42.8 Å²	42.8	33%	0.326	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	97.8	163.3	-167.6	17.4	0	0	0	107.9	F145 V168 T169 Q317	F145-D147 HydrophobicContact CE1-CB 4.05Å; D147-V168 WeakPolarHBondContact O-CA 3.29Å; D147-T169 PolarHBondContact N-O 3.07Å; D147-T169 PolarHBondContact O-N 2.96Å; D147-Q317 PolarHBondContact OD1-NE2 2.93Å
148	L	98.7	Very high	91.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.4	-171.5	177.5	63.2	0	0	0	110	L150 V168 F265 F304 Q317 V318 S319 L360 F362	L148-L150 HydrophobicContact CD1-CD2 4.04Å; L148-L150 HydrophobicContact CD1-CG 4.06Å; L148-L150 HydrophobicContact CD2-CD1 4Å; L148-L150 HydrophobicContact CD2-CG 4.36Å; L148-L150 HydrophobicContact CG-CD1 4.2Å; L148-L150 HydrophobicContact CG-CG 4.01Å; L148-V168 HydrophobicContact CB-CG2 4.27Å; L148-V168 HydrophobicContact CD1-CB 3.94Å; L148-V168 HydrophobicContact CD1-CG2 4.09Å; L148-F265 HydrophobicContact CD1-CZ 4.08Å; L148-F304 HydrophobicContact CD1-CB 3.83Å; L148-F304 HydrophobicContact CD1-CD1 4.11Å; L148-F304 HydrophobicContact CD1-CD2 4.23Å; L148-F304 HydrophobicContact CD1-CG 3.8Å; L148-F304 HydrophobicContact CD2-CD1 3.71Å; L148-F304 HydrophobicContact CD2-CD2 4.5Å; L148-F304 HydrophobicContact CD2-CE1 3.71Å; L148-F304 HydrophobicContact CD2-CE2 4.45Å; L148-F304 HydrophobicContact CD2-CG 4.15Å; L148-F304 HydrophobicContact CD2-CZ 4.1Å; L148-Q317 PolarHBondContact N-O 3.5Å; L148-V318 CarbonylContact O-C 3.49Å; L148-V318 WeakPolarHBondContact O-CA 3.47Å; L148-S319 PolarHBondContact O-N 3.33Å; L148-L360 HydrophobicContact CD2-CD2 4.04Å; L148-F362 HydrophobicContact CD2-CE1 4.29Å; L148-F362 HydrophobicContact CD2-CE2 4.47Å; L148-F362 HydrophobicContact CD2-CZ 3.62Å
149	K	98.5	Very high	90.8	Very high	82 Å²	82	48.9 Å²	48.9	36%	0.357	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.3	175.7	-173.2	175.7	-179.3	177	0	109.5	G166 S167 S319 I321	K149-G166 CarbonylContact O-C 3.59Å; K149-G166 WeakPolarHBondContact O-CA 3.43Å; K149-S167 PolarHBondContact N-O 2.86Å; K149-S167 PolarHBondContact O-N 3.01Å; K149-S319 WeakPolarHBondContact CA-O 3.45Å; K149-I321 HydrophobicContact CD-CD1 4.47Å; K149-I321 HydrophobicContact CG-CD1 4.4Å
150	L	98.4	Very high	90.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.4	-176.4	-67.4	174.6	0	0	0	110.2	L148 F164 N165 F265 W276 V303 S319 L320 I321 F362	L148-L150 HydrophobicContact CD1-CD2 4.04Å; L148-L150 HydrophobicContact CD1-CG 4.06Å; L148-L150 HydrophobicContact CD2-CD1 4Å; L148-L150 HydrophobicContact CD2-CG 4.36Å; L148-L150 HydrophobicContact CG-CD1 4.2Å; L148-L150 HydrophobicContact CG-CG 4.01Å; L150-F164 HydrophobicContact CD2-CD2 4.35Å; L150-N165 WeakPolarHBondContact CA-O 3.23Å; L150-F265 HydrophobicContact CD2-CE2 3.87Å; L150-F265 HydrophobicContact CD2-CZ 4.17Å; L150-W276 HydrophobicContact CB-CH2 3.93Å; L150-W276 HydrophobicContact CB-CZ3 3.68Å; L150-W276 HydrophobicContact CD1-CE3 4.29Å; L150-W276 HydrophobicContact CD1-CZ3 4.12Å; L150-W276 HydrophobicContact CD2-CZ3 4.41Å; L150-W276 HydrophobicContact CG-CZ3 4.29Å; L150-V303 HydrophobicContact CD1-CG1 3.93Å; L150-V303 HydrophobicContact CD2-CG1 4.19Å; L150-S319 PolarHBondContact N-O 3.23Å; L150-L320 HydrophobicContact CB-CD2 3.93Å; L150-L320 HydrophobicContact CD1-CD2 4.27Å; L150-L320 CarbonylContact O-C 3.51Å; L150-L320 WeakPolarHBondContact O-CA 3.27Å; L150-I321 PolarHBondContact O-N 3.03Å; L150-F362 HydrophobicContact CD1-CD2 4.06Å; L150-F362 HydrophobicContact CD1-CE1 4.46Å; L150-F362 HydrophobicContact CD1-CE2 3.79Å; L150-F362 HydrophobicContact CD1-CG 4.47Å; L150-F362 HydrophobicContact CD1-CZ 3.96Å
151	Q	97	Very high	90.1	Very high	46 Å²	46	53.3 Å²	53.3	22%	0.215	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.6	175.1	179.7	174.9	9.5	0	0	109.6	H153 F164 N165 I321 W344	Q151-H153 VanDerWaalsContact CD-NE2 3.32Å; Q151-H153 WeakPolarHBondContact CG-NE2 3.44Å; Q151-F164 CarbonylContact O-C 3.57Å; Q151-F164 WeakPolarHBondContact O-CA 3.23Å; Q151-F164 VanDerWaalsContact O-CB 3.31Å; Q151-F164 WeakPolarHBondContact O-CB 3.15Å; Q151-N165 PolarHBondContact N-O 3.41Å; Q151-N165 PolarHBondContact O-N 3.08Å; Q151-I321 HydrophobicContact CB-CB 3.81Å; Q151-I321 HydrophobicContact CB-CD1 4.21Å; Q151-I321 HydrophobicContact CB-CG2 4.29Å; Q151-I321 HydrophobicContact CG-CB 3.81Å; Q151-I321 HydrophobicContact CG-CG2 3.73Å; Q151-W344 HydrophobicContact CG-CH2 4.44Å; Q151-W344 HydrophobicContact CG-CZ3 4.08Å
152	V	96.1	Very high	90.1	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.5	176.3	69.5	0	0	0	0	111.8	L154 L269 W276 A291 I321 W344 V364	V152-L154 HydrophobicContact CG1-CG 4.46Å; V152-L154 HydrophobicContact CG2-CD2 4.14Å; V152-L154 HydrophobicContact CG2-CG 3.95Å; V152-L269 HydrophobicContact CG2-CD1 4.44Å; V152-L269 HydrophobicContact CG2-CD2 4.06Å; V152-W276 HydrophobicContact CB-CH2 3.5Å; V152-W276 HydrophobicContact CB-CZ2 3.7Å; V152-W276 HydrophobicContact CB-CZ3 4.18Å; V152-W276 HydrophobicContact CG1-CH2 4.27Å; V152-W276 HydrophobicContact CG1-CZ2 4.21Å; V152-W276 HydrophobicContact CG2-CH2 4.27Å; V152-W276 HydrophobicContact CG2-CZ2 4.18Å; V152-A291 HydrophobicContact CG2-CB 3.75Å; V152-I321 PolarHBondContact N-O 3.16Å; V152-W344 VanDerWaalsContact O-CH2 3.24Å; V152-W344 WeakPolarHBondContact O-CH2 3.46Å; V152-W344 VanDerWaalsContact O-CZ3 3.26Å; V152-W344 WeakPolarHBondContact O-CZ3 3.23Å; V152-V364 HydrophobicContact CG1-CB 3.98Å; V152-V364 HydrophobicContact CG1-CG1 3.8Å; V152-V364 HydrophobicContact CG1-CG2 3.94Å
153	H	93.8	Very high	90.1	Very high	20 Å²	20	52.2 Å²	52.2	9%	0.093	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	84.1	-179.5	-71.6	-99.1	0	0	0	111	Q151 H155 F163 N165 W344	Q151-H153 VanDerWaalsContact CD-NE2 3.32Å; Q151-H153 WeakPolarHBondContact CG-NE2 3.44Å; H153-H155 WeakPolarHBondContact CB-NE2 3.41Å; H153-H155 AromaticContact CG-NE2 3.75Å; H153-H155 AromaticContact ND1-CE1 3.69Å; H153-H155 AromaticContact ND1-NE2 3.28Å; H153-H155 PolarHBondContact ND1-NE2 3.41Å; H153-H155 PolarHBondContact O-N 2.98Å; H153-F163 HydrophobicContact CB-CD1 3.86Å; H153-F163 HydrophobicContact CB-CD2 4.21Å; H153-F163 HydrophobicContact CB-CE1 3.57Å; H153-F163 HydrophobicContact CB-CE2 3.93Å; H153-F163 HydrophobicContact CB-CG 4.18Å; H153-F163 HydrophobicContact CB-CZ 3.61Å; H153-F163 WeakPolarHBondContact CB-O 3.36Å; H153-F163 AromaticContact CD2-CD2 3.78Å; H153-F163 AromaticContact CD2-CE2 3.13Å; H153-F163 WeakPolarHBondContact CD2-CE2 3.41Å; H153-F163 AromaticContact CD2-CZ 3.48Å; H153-F163 VanDerWaalsContact CD2-CZ 3.48Å; H153-F163 WeakPolarHBondContact CD2-CZ 3.24Å; H153-F163 AromaticContact CE1-CE2 3.99Å; H153-F163 AromaticContact CE1-CZ 3.77Å; H153-F163 AromaticContact CG-CE1 3.76Å; H153-F163 AromaticContact CG-CE2 3.43Å; H153-F163 VanDerWaalsContact CG-CE2 3.43Å; H153-F163 AromaticContact CG-CZ 3.23Å; H153-F163 PolarHBondContact N-O 3.41Å; H153-F163 AromaticContact ND1-CE2 3.94Å; H153-F163 AromaticContact ND1-CZ 3.44Å; H153-F163 WeakPolarHBondContact ND1-CZ 3.25Å; H153-F163 AromaticContact NE2-CE2 3.53Å; H153-F163 AromaticContact NE2-CZ 3.8Å; H153-N165 PolarHBondContact NE2-ND2 2.94Å; H153-W344 AromaticContact ND1-CH2 3.98Å
154	L	90.8	Very high	90	Very high	7 Å²	7	52 Å²	52	4%	0.037	26%	0.264	C	S	.	.			trans	-94.3	77.9	173.2	-59.7	177	0	0	0	109.4	V152 F162 L269 L278 A291 Y326	V152-L154 HydrophobicContact CG1-CG 4.46Å; V152-L154 HydrophobicContact CG2-CD2 4.14Å; V152-L154 HydrophobicContact CG2-CG 3.95Å; L154-F162 HydrophobicContact CD2-CD2 3.78Å; L154-F162 HydrophobicContact CD2-CE2 4.24Å; L154-F162 HydrophobicContact CD2-CG 4.43Å; L154-L269 HydrophobicContact CD2-CD2 3.52Å; L154-L278 HydrophobicContact CD2-CD1 3.95Å; L154-A291 HydrophobicContact CD1-CB 4.49Å; L154-Y326 HydrophobicContact CD1-CD1 4.08Å; L154-Y326 HydrophobicContact CD1-CE1 3.49Å; L154-Y326 VanDerWaalsContact CD1-CE1 3.49Å
155	H	73.2	Confident	90	Very high	75 Å²	75	51.7 Å²	51.7	35%	0.347	26%	0.26	S	S	.	.			trans	-79.3	161.7	-173.9	-67.2	-68.4	0	0	0	113.6	H153 G157 F162	H153-H155 WeakPolarHBondContact CB-NE2 3.41Å; H153-H155 AromaticContact CG-NE2 3.75Å; H153-H155 AromaticContact ND1-CE1 3.69Å; H153-H155 AromaticContact ND1-NE2 3.28Å; H153-H155 PolarHBondContact ND1-NE2 3.41Å; H153-H155 PolarHBondContact O-N 2.98Å; H155-G157 PolarHBondContact O-N 3.43Å; H155-F162 HydrophobicContact CB-CE1 4.19Å; H155-F162 WeakPolarHBondContact O-CE1 3.47Å; H155-F162 WeakPolarHBondContact O-CZ 3.49Å
156	Q	66	Low	89.8	Confident	215 Å²	215	49.8 Å²	49.8	100%	1.005	25%	0.254	S	S	*	.	S	Bend	trans	-73.6	81.4	162.4	-68.3	-173.1	0.4	0	0	108.9
157	G	70	Confident	89.7	Confident	42 Å²	42	51.4 Å²	51.4	43%	0.433	27%	0.266	S	S	.	.	S	Bend	trans	-162.7	-167.4	-175.7	0	0	0	0	0	111.8	H155	H155-G157 PolarHBondContact O-N 3.43Å
158	K	80.6	Confident	89.6	Confident	156 Å²	156	48.5 Å²	48.5	68%	0.678	25%	0.25	S	S	*	.			trans	-69.8	125.7	175.9	-81	-169	-175.6	-177.6	0	109.9	E160 T161	K158-E160 VanDerWaalsContact CB-OE2 3.29Å; K158-E160 WeakPolarHBondContact CB-OE2 3.48Å; K158-E160 PolarHBondContact O-N 2.73Å; K158-T161 HydrophobicContact CB-CG2 4.3Å; K158-T161 WeakPolarHBondContact O-CB 3.45Å; K158-T161 PolarHBondContact O-N 3.13Å; K158-T161 PolarHBondContact O-OG1 3.07Å
159	P	81.8	Confident	89.4	Confident	31 Å²	31	51.2 Å²	51.2	20%	0.201	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-50.3	-31.3	-178.6	-32.9	39.4	0	0	0	114.8	T161 F162 L278 Y289	P159-T161 PolarHBondContact O-N 3.4Å; P159-T161 VanDerWaalsContact O-N 3.09Å; P159-F162 HydrophobicContact CB-CE2 4.47Å; P159-F162 WeakPolarHBondContact O-CB 3.3Å; P159-F162 WeakPolarHBondContact O-CG 3.11Å; P159-F162 PolarHBondContact O-N 2.96Å; P159-F162 VanDerWaalsContact O-N 3.07Å; P159-L278 HydrophobicContact CB-CD2 3.85Å; P159-Y289 HydrophobicContact CB-CE1 4.18Å; P159-Y289 HydrophobicContact CG-CE1 3.55Å; P159-Y289 VanDerWaalsContact CG-OH 3.26Å; P159-Y289 WeakPolarHBondContact CG-OH 3.28Å
160	E	81.9	Confident	89.3	Confident	156 Å²	156	47.3 Å²	47.3	73%	0.729	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-64.7	-12.2	178.1	-54.1	84.8	173.9	0	0	113.4	K158	K158-E160 VanDerWaalsContact CB-OE2 3.29Å; K158-E160 WeakPolarHBondContact CB-OE2 3.48Å; K158-E160 PolarHBondContact O-N 2.73Å
161	T	87.4	Confident	89.2	Confident	83 Å²	83	50.3 Å²	50.3	51%	0.509	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-96	-3	177.2	65.5	0	0	0	0	113.2	K158 P159 F163	K158-T161 HydrophobicContact CB-CG2 4.3Å; K158-T161 WeakPolarHBondContact O-CB 3.45Å; K158-T161 PolarHBondContact O-N 3.13Å; K158-T161 PolarHBondContact O-OG1 3.07Å; P159-T161 PolarHBondContact O-N 3.4Å; P159-T161 VanDerWaalsContact O-N 3.09Å; T161-F163 WeakPolarHBondContact O-CD1 3.2Å
162	F	94.2	Very high	89.1	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.009	25%	0.252	C	S	.	.			trans	-75	144.2	-178.5	-62.8	-5.2	0	0	0	111.4	L154 H155 P159 L269 L278 Y289	L154-F162 HydrophobicContact CD2-CD2 3.78Å; L154-F162 HydrophobicContact CD2-CE2 4.24Å; L154-F162 HydrophobicContact CD2-CG 4.43Å; H155-F162 HydrophobicContact CB-CE1 4.19Å; H155-F162 WeakPolarHBondContact O-CE1 3.47Å; H155-F162 WeakPolarHBondContact O-CZ 3.49Å; P159-F162 HydrophobicContact CB-CE2 4.47Å; P159-F162 WeakPolarHBondContact O-CB 3.3Å; P159-F162 WeakPolarHBondContact O-CG 3.11Å; P159-F162 PolarHBondContact O-N 2.96Å; P159-F162 VanDerWaalsContact O-N 3.07Å; F162-L269 HydrophobicContact CB-CB 4.1Å; F162-L269 HydrophobicContact CB-CD2 4.4Å; F162-L269 PolarHBondContact O-N 3.34Å; F162-L278 HydrophobicContact CD2-CD1 3.74Å; F162-L278 HydrophobicContact CD2-CD2 3.7Å; F162-L278 HydrophobicContact CD2-CG 4.38Å; F162-L278 HydrophobicContact CE2-CD1 4.18Å; F162-L278 HydrophobicContact CE2-CD2 4.3Å; F162-Y289 AromaticContact CE2-CD1 3.92Å; F162-Y289 HydrophobicContact CE2-CD1 3.92Å; F162-Y289 AromaticContact CE2-CD2 3.94Å; F162-Y289 HydrophobicContact CE2-CD2 3.94Å; F162-Y289 HydrophobicContact CE2-CE1 4.36Å; F162-Y289 HydrophobicContact CE2-CE2 4.38Å; F162-Y289 AromaticContact CE2-CG 3.7Å; F162-Y289 HydrophobicContact CE2-CG 3.7Å; F162-Y289 HydrophobicContact CZ-CD2 4.17Å; F162-Y289 HydrophobicContact CZ-CE2 4.35Å; F162-Y289 HydrophobicContact CZ-CG 4.39Å
163	F	94.4	Very high	89	Confident	26 Å²	26	50.5 Å²	50.5	11%	0.114	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	173.1	-175.1	67.6	-86.4	0	0	0	110.7	H153 T161 R266 S267	H153-F163 HydrophobicContact CB-CD1 3.86Å; H153-F163 HydrophobicContact CB-CD2 4.21Å; H153-F163 HydrophobicContact CB-CE1 3.57Å; H153-F163 HydrophobicContact CB-CE2 3.93Å; H153-F163 HydrophobicContact CB-CG 4.18Å; H153-F163 HydrophobicContact CB-CZ 3.61Å; H153-F163 WeakPolarHBondContact CB-O 3.36Å; H153-F163 AromaticContact CD2-CD2 3.78Å; H153-F163 AromaticContact CD2-CE2 3.13Å; H153-F163 WeakPolarHBondContact CD2-CE2 3.41Å; H153-F163 AromaticContact CD2-CZ 3.48Å; H153-F163 VanDerWaalsContact CD2-CZ 3.48Å; H153-F163 WeakPolarHBondContact CD2-CZ 3.24Å; H153-F163 AromaticContact CE1-CE2 3.99Å; H153-F163 AromaticContact CE1-CZ 3.77Å; H153-F163 AromaticContact CG-CE1 3.76Å; H153-F163 AromaticContact CG-CE2 3.43Å; H153-F163 VanDerWaalsContact CG-CE2 3.43Å; H153-F163 AromaticContact CG-CZ 3.23Å; H153-F163 PolarHBondContact N-O 3.41Å; H153-F163 AromaticContact ND1-CE2 3.94Å; H153-F163 AromaticContact ND1-CZ 3.44Å; H153-F163 WeakPolarHBondContact ND1-CZ 3.25Å; H153-F163 AromaticContact NE2-CE2 3.53Å; H153-F163 AromaticContact NE2-CZ 3.8Å; T161-F163 WeakPolarHBondContact O-CD1 3.2Å; F163-R266 HydrophobicContact CD2-CG 4.24Å; F163-R266 VanDerWaalsContact CD2-NE 3.34Å; F163-R266 VanDerWaalsContact CD2-NH2 3.26Å; F163-S267 WeakPolarHBondContact CA-O 3.46Å; F163-S267 VanDerWaalsContact CB-O 3.32Å; F163-S267 WeakPolarHBondContact CB-O 3.28Å
164	F	96	Very high	88.9	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.6	165.2	68.7	-92.7	0	0	0	111.4	L150 Q151 L189 R266 S267 L269 W276 V303	L150-F164 HydrophobicContact CD2-CD2 4.35Å; Q151-F164 CarbonylContact O-C 3.57Å; Q151-F164 WeakPolarHBondContact O-CA 3.23Å; Q151-F164 VanDerWaalsContact O-CB 3.31Å; Q151-F164 WeakPolarHBondContact O-CB 3.15Å; F164-L189 HydrophobicContact CE2-CD1 4.42Å; F164-L189 HydrophobicContact CZ-CD1 4.48Å; F164-R266 WeakPolarHBondContact O-CA 3.26Å; F164-R266 WeakPolarHBondContact O-CG 3.29Å; F164-S267 PolarHBondContact N-O 3.02Å; F164-S267 PolarHBondContact O-N 3.21Å; F164-L269 HydrophobicContact CD1-CD1 4.03Å; F164-W276 HydrophobicContact CB-CE3 3.56Å; F164-W276 HydrophobicContact CB-CH2 4.41Å; F164-W276 HydrophobicContact CB-CZ3 3.4Å; F164-W276 VanDerWaalsContact CB-CZ3 3.4Å; F164-W276 HydrophobicContact CD1-CB 4.49Å; F164-W276 HydrophobicContact CD1-CD2 4.44Å; F164-W276 AromaticContact CD1-CE3 3.73Å; F164-W276 HydrophobicContact CD1-CE3 3.73Å; F164-W276 HydrophobicContact CD1-CZ3 4.47Å; F164-W276 AromaticContact CD2-CE3 3.74Å; F164-W276 HydrophobicContact CD2-CE3 3.74Å; F164-W276 HydrophobicContact CD2-CZ3 4Å; F164-W276 HydrophobicContact CE1-CB 4.21Å; F164-W276 HydrophobicContact CE1-CE3 4.33Å; F164-W276 HydrophobicContact CE2-CE3 4.36Å; F164-W276 HydrophobicContact CG-CD2 4.47Å; F164-W276 AromaticContact CG-CE3 3.39Å; F164-W276 HydrophobicContact CG-CE3 3.39Å; F164-W276 AromaticContact CG-CZ3 3.73Å; F164-W276 HydrophobicContact CG-CZ3 3.73Å; F164-V303 HydrophobicContact CE2-CG1 4.19Å; F164-V303 WeakPolarHBondContact CE2-O 3.13Å; F164-V303 HydrophobicContact CZ-CG1 4.32Å
165	N	94.9	Very high	89	Confident	26 Å²	26	50.7 Å²	50.7	14%	0.139	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	157.5	169	-61.1	-36.5	0	0	0	109.1	L150 Q151 H153 F265 R266	L150-N165 WeakPolarHBondContact CA-O 3.23Å; Q151-N165 PolarHBondContact N-O 3.41Å; Q151-N165 PolarHBondContact O-N 3.08Å; H153-N165 PolarHBondContact NE2-ND2 2.94Å; N165-F265 CarbonylContact C-O 3.6Å; N165-F265 WeakPolarHBondContact CA-O 3.45Å; N165-R266 VanDerWaalsContact OD1-CD 3.24Å; N165-R266 WeakPolarHBondContact OD1-CD 3.23Å; N165-R266 VanDerWaalsContact OD1-CG 3.23Å; N165-R266 WeakPolarHBondContact OD1-CG 3.44Å
166	G	95.8	Very high	89.9	Confident	10 Å²	10	51.3 Å²	51.3	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	170.5	171.6	0	0	0	0	0	114.4	K149 Q264 F265	K149-G166 CarbonylContact O-C 3.59Å; K149-G166 WeakPolarHBondContact O-CA 3.43Å; G166-Q264 CarbonylContact O-C 3.58Å; G166-Q264 WeakPolarHBondContact O-CA 3.48Å; G166-F265 VanDerWaalsContact C-CZ 3.44Å; G166-F265 VanDerWaalsContact CA-CE2 3.43Å; G166-F265 PolarHBondContact N-O 2.82Å; G166-F265 PolarHBondContact O-N 3.24Å
167	S	95.8	Very high	91.2	Very high	36 Å²	36	43.8 Å²	43.8	25%	0.252	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	145.6	172.9	65.6	0	0	0	0	108.4	K149 F262 G263	K149-S167 PolarHBondContact N-O 2.86Å; K149-S167 PolarHBondContact O-N 3.01Å; S167-F262 WeakPolarHBondContact CA-O 3.31Å; S167-G263 WeakPolarHBondContact CB-O 3.36Å
168	V	95.9	Very high	92.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.6	176.1	69.1	0	0	0	0	111.4	Y146 D147 L148 I170 A261 F262 F265 F304	Y146-V168 HydrophobicContact CD1-CG2 3.95Å; D147-V168 WeakPolarHBondContact O-CA 3.29Å; L148-V168 HydrophobicContact CB-CG2 4.27Å; L148-V168 HydrophobicContact CD1-CB 3.94Å; L148-V168 HydrophobicContact CD1-CG2 4.09Å; V168-I170 HydrophobicContact CG1-CD1 4.27Å; V168-I170 HydrophobicContact CG1-CG1 4.23Å; V168-I170 HydrophobicContact CG2-CG1 3.91Å; V168-A261 WeakPolarHBondContact O-CA 3.35Å; V168-F262 HydrophobicContact CG1-CB 4Å; V168-F262 HydrophobicContact CG1-CD2 3.96Å; V168-F262 HydrophobicContact CG1-CG 4.38Å; V168-F262 PolarHBondContact N-O 3.44Å; V168-F262 PolarHBondContact O-N 3.49Å; V168-F265 HydrophobicContact CB-CE1 4.21Å; V168-F265 HydrophobicContact CG1-CE1 3.98Å; V168-F304 HydrophobicContact CG2-CD2 4.36Å
169	T	95	Very high	92.9	Very high	56 Å²	56	40 Å²	40	34%	0.344	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.1	166.7	-60.2	0	0	0	0	109	D147 K259	D147-T169 PolarHBondContact N-O 3.07Å; D147-T169 PolarHBondContact O-N 2.96Å; T169-K259 HydrophobicContact CG2-CB 4.23Å
170	I	96	Very high	93.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119.6	-173.6	-45.4	173.3	0	0	0	108.2	P143 F145 Y146 V168 I172 K259 L260 F262 W307	P143-I170 HydrophobicContact CB-CG2 4Å; F145-I170 CarbonylContact O-C 3.49Å; F145-I170 WeakPolarHBondContact O-CA 3.41Å; Y146-I170 HydrophobicContact CD1-CB 4.33Å; Y146-I170 HydrophobicContact CD1-CD1 4.05Å; Y146-I170 HydrophobicContact CD1-CG1 3.67Å; Y146-I170 HydrophobicContact CD1-CG2 3.94Å; Y146-I170 HydrophobicContact CE1-CB 4.38Å; Y146-I170 HydrophobicContact CE1-CD1 3.65Å; Y146-I170 HydrophobicContact CE1-CG1 3.77Å; Y146-I170 HydrophobicContact CE1-CG2 3.73Å; Y146-I170 HydrophobicContact CG-CG2 4.42Å; V168-I170 HydrophobicContact CG1-CD1 4.27Å; V168-I170 HydrophobicContact CG1-CG1 4.23Å; V168-I170 HydrophobicContact CG2-CG1 3.91Å; I170-I172 HydrophobicContact CB-CG2 4.19Å; I170-I172 HydrophobicContact CG2-CG2 3.7Å; I170-I172 PolarHBondContact O-N 3.5Å; I170-K259 CarbonylContact O-C 3.56Å; I170-K259 WeakPolarHBondContact O-CA 3.36Å; I170-L260 HydrophobicContact CB-CB 4.47Å; I170-L260 HydrophobicContact CD1-CD2 4.46Å; I170-L260 PolarHBondContact N-O 3.4Å; I170-L260 PolarHBondContact O-N 3.46Å; I170-F262 HydrophobicContact CD1-CD2 4.29Å; I170-F262 HydrophobicContact CD1-CE2 4.12Å; I170-W307 HydrophobicContact CD1-CZ3 4.22Å; I170-W307 HydrophobicContact CG2-CZ3 4.3Å
171	K	95.8	Very high	93.9	Very high	64 Å²	64	35.3 Å²	35.3	28%	0.278	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	112.9	166.4	-172.2	174.5	169.1	153.1	0	108.4	S144 F145 D222 Y257 Y258	S144-K171 PolarHBondContact N-O 3.13Å; S144-K171 WeakPolarHBondContact OG-CG 3.5Å; S144-K171 PolarHBondContact OG-O 3.19Å; F145-K171 HydrophobicContact CB-CB 3.87Å; F145-K171 PolarHBondContact N-O 2.73Å; F145-K171 PolarHBondContact O-N 3.31Å; K171-D222 WeakPolarHBondContact CE-OD2 3.46Å; K171-D222 IonicContact NZ-OD1 2.86Å; K171-D222 IonicContact NZ-OD2 3.37Å; K171-D222 PolarHBondContact NZ-OD2 3.22Å; K171-Y257 HydrophobicContact CD-CD1 4.26Å; K171-Y257 HydrophobicContact CG-CD1 4.03Å; K171-Y258 CarbonylContact C-O 3.58Å; K171-Y258 WeakPolarHBondContact CA-O 3.3Å
172	I	95	Very high	94.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	147.7	-178.5	61.4	174.8	0	0	0	110.4	V141 I142 I170 F181 Y257 Y258 L260 W307	V141-I172 HydrophobicContact CG1-CB 3.87Å; V141-I172 HydrophobicContact CG1-CD1 3.8Å; V141-I172 HydrophobicContact CG1-CG1 4.24Å; V141-I172 HydrophobicContact CG1-CG2 4.4Å; I142-I172 CarbonylContact O-C 3.33Å; I142-I172 WeakPolarHBondContact O-CA 3.42Å; I170-I172 HydrophobicContact CB-CG2 4.19Å; I170-I172 HydrophobicContact CG2-CG2 3.7Å; I170-I172 PolarHBondContact O-N 3.5Å; I172-F181 HydrophobicContact CD1-CZ 4.39Å; I172-Y257 CarbonylContact O-C 3.53Å; I172-Y257 VanDerWaalsContact O-CA 3.31Å; I172-Y257 WeakPolarHBondContact O-CA 3.3Å; I172-Y258 WeakPolarHBondContact CG1-O 3.25Å; I172-Y258 PolarHBondContact N-O 3.26Å; I172-Y258 PolarHBondContact O-N 2.85Å; I172-L260 HydrophobicContact CD1-CB 4.1Å; I172-L260 HydrophobicContact CG2-CB 4.4Å; I172-W307 HydrophobicContact CG2-CH2 3.68Å; I172-W307 HydrophobicContact CG2-CZ3 3.83Å
173	Y	94.2	Very high	94.2	Very high	53 Å²	53	32.8 Å²	32.8	21%	0.208	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126	175.5	174.9	-105.1	0	0	0	109.5	V141 I142 F255 Y257	V141-Y173 WeakPolarHBondContact CA-O 3.46Å; I142-Y173 HydrophobicContact CD1-CD1 4.1Å; I142-Y173 HydrophobicContact CG1-CD1 4.06Å; I142-Y173 PolarHBondContact N-O 3.14Å; I142-Y173 PolarHBondContact O-N 2.67Å; Y173-F255 VanDerWaalsContact OH-CD1 3.23Å; Y173-F255 WeakPolarHBondContact OH-CD1 3.14Å; Y173-Y257 HydrophobicContact CD2-CD1 4.13Å; Y173-Y257 HydrophobicContact CD2-CD2 4.05Å; Y173-Y257 AromaticContact CD2-CE1 3.85Å; Y173-Y257 HydrophobicContact CD2-CE1 3.85Å; Y173-Y257 AromaticContact CD2-CE2 3.72Å; Y173-Y257 HydrophobicContact CD2-CE2 3.72Å; Y173-Y257 HydrophobicContact CD2-CG 4.25Å; Y173-Y257 AromaticContact CD2-CZ 3.61Å; Y173-Y257 HydrophobicContact CE2-CE2 4.15Å; Y173-Y257 HydrophobicContact CG-CE1 4.14Å
174	C	93.3	Very high	94.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.6	176.1	178.8	0	0	0	0	109.5	V176 L252 Q253 P254 F255 T256 Y258	C174-V176 PolarHBondContact SG-O 3.33Å; C174-L252 HydrophobicContact CB-CB 3.95Å; C174-L252 HydrophobicContact CB-CD1 4.19Å; C174-L252 WeakPolarHBondContact SG-CB 3.3Å; C174-Q253 WeakPolarHBondContact CB-O 3.23Å; C174-Q253 PolarHBondContact SG-O 3.36Å; C174-P254 CarbonylContact O-C 3.6Å; C174-F255 WeakPolarHBondContact O-CA 3.46Å; C174-F255 PolarHBondContact O-N 2.96Å; C174-T256 PolarHBondContact N-O 2.99Å; C174-Y258 HydrophobicContact CB-CD2 4.38Å; C174-Y258 HydrophobicContact CB-CE2 4.09Å
175	S	91.9	Very high	94.2	Very high	31 Å²	31	31.7 Å²	31.7	22%	0.217	17%	0.171	C	C	.	.	S	Bend	trans	-88	-32.3	-180	65.4	0	0	0	0	112.6	Y139 T140	Y139-S175 PolarHBondContact O-OG 3.43Å; T140-S175 WeakPolarHBondContact CA-OG 3.46Å; T140-S175 PolarHBondContact O-N 3.4Å; T140-S175 PolarHBondContact O-OG 2.96Å; T140-S175 VanDerWaalsContact O-OG 3.08Å
176	V	91.3	Very high	94.1	Very high	88 Å²	88	31.2 Å²	31.2	53%	0.533	17%	0.168	S	C	.	.	S	Bend	trans	-134.1	135	-179.8	-178.4	0	0	0	0	108.7	T140 C174 T178	T140-V176 HydrophobicContact CG2-CB 4.13Å; T140-V176 WeakPolarHBondContact CG2-O 3.38Å; C174-V176 PolarHBondContact SG-O 3.33Å; V176-T178 PolarHBondContact O-N 3.13Å; V176-T178 VanDerWaalsContact O-N 3.16Å
177	S	93.7	Very high	93.8	Very high	58 Å²	58	33.9 Å²	33.9	41%	0.406	19%	0.185	S	C	.	.			trans	-55	123.8	-179.2	-168.2	0	0	0	0	111	S251 L252	S177-S251 WeakPolarHBondContact OG-CB 3.49Å; S177-L252 VanDerWaalsContact CA-O 3.3Å; S177-L252 WeakPolarHBondContact CA-O 3.29Å; S177-L252 PolarHBondContact OG-O 3.43Å
178	T	93.6	Very high	93.4	Very high	15 Å²	15	37.6 Å²	37.6	9%	0.092	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	150.4	-177	-173.3	0	0	0	0	111.8	T140 V141 V176 H180 S251 L252	T140-T178 HydrophobicContact CG2-CG2 3.69Å; V141-T178 HydrophobicContact CG2-CG2 3.83Å; V176-T178 PolarHBondContact O-N 3.13Å; V176-T178 VanDerWaalsContact O-N 3.16Å; T178-H180 WeakPolarHBondContact CG2-O 3.39Å; T178-H180 PolarHBondContact OG1-N 3.22Å; T178-H180 PolarHBondContact OG1-O 2.64Å; T178-S251 CarbonylContact O-C 3.44Å; T178-S251 WeakPolarHBondContact O-CA 3.13Å; T178-L252 PolarHBondContact O-N 3.01Å
179	K	92.9	Very high	93.3	Very high	102 Å²	102	37.7 Å²	37.7	44%	0.443	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-0.4	169.1	-64.5	-166.4	176.9	-164.3	0	113	E247 L248 V249 S251	K179-E247 CarbonylContact O-C 3.53Å; K179-E247 WeakPolarHBondContact O-CA 2.97Å; K179-L248 WeakPolarHBondContact O-CB 3.44Å; K179-L248 PolarHBondContact O-N 3.11Å; K179-V249 PolarHBondContact NZ-O 3.38Å; K179-S251 VanDerWaalsContact CE-OG 3.29Å; K179-S251 WeakPolarHBondContact CE-OG 3.39Å; K179-S251 WeakPolarHBondContact CG-OG 3.34Å
180	H	92.2	Very high	93	Very high	85 Å²	85	40.5 Å²	40.5	39%	0.394	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	150.2	178.2	62.8	-85.8	0	0	0	111.4	T178 I246 E247	T178-H180 WeakPolarHBondContact CG2-O 3.39Å; T178-H180 PolarHBondContact OG1-N 3.22Å; T178-H180 PolarHBondContact OG1-O 2.64Å; H180-I246 WeakPolarHBondContact CA-O 3.25Å; H180-I246 WeakPolarHBondContact CB-O 3.27Å; H180-E247 HydrophobicContact CB-CG 4.29Å
181	F	93.1	Very high	92.4	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.022	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	176.1	172.2	64.5	-84.2	0	0	0	108.9	V141 I172 V183 I219 I246 L248 L252 L260 W307	V141-F181 HydrophobicContact CB-CB 3.88Å; V141-F181 HydrophobicContact CB-CD2 4.47Å; V141-F181 HydrophobicContact CB-CG 4.17Å; V141-F181 HydrophobicContact CG1-CB 4.49Å; V141-F181 HydrophobicContact CG1-CD2 4.23Å; V141-F181 HydrophobicContact CG1-CG 4.26Å; V141-F181 HydrophobicContact CG2-CB 3.68Å; V141-F181 HydrophobicContact CG2-CD1 4.33Å; V141-F181 HydrophobicContact CG2-CG 4.04Å; I172-F181 HydrophobicContact CD1-CZ 4.39Å; F181-V183 HydrophobicContact CD2-CG2 4.12Å; F181-V183 HydrophobicContact CE2-CG2 3.86Å; F181-I219 HydrophobicContact CE1-CD1 3.59Å; F181-I219 HydrophobicContact CZ-CD1 3.67Å; F181-I246 HydrophobicContact CE1-CB 4.13Å; F181-I246 HydrophobicContact CE1-CG2 3.92Å; F181-I246 HydrophobicContact CE2-CB 4.27Å; F181-I246 HydrophobicContact CE2-CD1 3.73Å; F181-I246 HydrophobicContact CE2-CG1 4.46Å; F181-I246 HydrophobicContact CZ-CB 3.99Å; F181-I246 HydrophobicContact CZ-CD1 3.83Å; F181-I246 HydrophobicContact CZ-CG1 4.48Å; F181-I246 HydrophobicContact CZ-CG2 3.89Å; F181-I246 PolarHBondContact N-O 3.09Å; F181-I246 VanDerWaalsContact N-O 3.1Å; F181-I246 PolarHBondContact O-N 2.79Å; F181-L248 HydrophobicContact CD1-CD1 4.41Å; F181-L248 HydrophobicContact CE1-CD1 4.12Å; F181-L248 HydrophobicContact CE1-CD2 4.19Å; F181-L248 HydrophobicContact CE1-CG 4.39Å; F181-L252 HydrophobicContact CD1-CD1 4.43Å; F181-L260 HydrophobicContact CE2-CD2 3.69Å; F181-L260 HydrophobicContact CZ-CD1 4.41Å; F181-L260 HydrophobicContact CZ-CD2 3.94Å; F181-W307 AromaticContact CD2-CH2 3.96Å; F181-W307 HydrophobicContact CD2-CH2 3.96Å; F181-W307 AromaticContact CD2-CZ2 3.86Å; F181-W307 HydrophobicContact CD2-CZ2 3.86Å; F181-W307 AromaticContact CE2-CH2 3.95Å; F181-W307 HydrophobicContact CE2-CH2 3.95Å; F181-W307 HydrophobicContact CE2-CZ2 4.32Å
182	F	93.3	Very high	91.5	Very high	32 Å²	32	39.8 Å²	39.8	14%	0.14	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.4	-168.8	-50.9	-94.1	0	0	0	110.5	L137 P138 W243 Y244 K245	L137-F182 HydrophobicContact CD2-CB 3.37Å; L137-F182 HydrophobicContact CD2-CG 4.36Å; P138-F182 HydrophobicContact CG-CD2 3.91Å; P138-F182 HydrophobicContact CG-CE2 4.05Å; F182-W243 HydrophobicContact CB-CD2 4.42Å; F182-W243 HydrophobicContact CD1-CZ2 4.39Å; F182-W243 AromaticContact CD1-NE1 3.86Å; F182-Y244 CarbonylContact C-O 3.48Å; F182-Y244 VanDerWaalsContact CA-O 3.24Å; F182-Y244 WeakPolarHBondContact CA-O 3.29Å; F182-K245 HydrophobicContact CD1-CB 3.76Å; F182-K245 HydrophobicContact CD1-CG 3.91Å; F182-K245 HydrophobicContact CE1-CB 3.81Å; F182-K245 HydrophobicContact CE1-CD 3.96Å; F182-K245 HydrophobicContact CE1-CG 3.58Å; F182-K245 HydrophobicContact CZ-CG 4.34Å
183	V	94.3	Very high	90.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	129.8	179	-177.2	0	0	0	0	108.8	F181 W243 Y244 I246 L260 F262 P305 C306 W307	F181-V183 HydrophobicContact CD2-CG2 4.12Å; F181-V183 HydrophobicContact CE2-CG2 3.86Å; V183-W243 CarbonylContact O-C 3.59Å; V183-W243 VanDerWaalsContact O-CA 3.23Å; V183-W243 WeakPolarHBondContact O-CA 3.29Å; V183-W243 VanDerWaalsContact O-CB 3.31Å; V183-W243 WeakPolarHBondContact O-CB 3.37Å; V183-Y244 PolarHBondContact N-O 2.76Å; V183-Y244 PolarHBondContact O-N 3.48Å; V183-I246 HydrophobicContact CG2-CD1 3.98Å; V183-L260 HydrophobicContact CG2-CD2 4.12Å; V183-F262 HydrophobicContact CB-CZ 4.46Å; V183-F262 HydrophobicContact CG1-CE2 4.38Å; V183-F262 HydrophobicContact CG1-CZ 4.2Å; V183-F262 HydrophobicContact CG2-CZ 4.43Å; V183-P305 HydrophobicContact CG1-CB 3.8Å; V183-C306 VanDerWaalsContact CG1-N 3.26Å; V183-W307 HydrophobicContact CG2-CE3 4.49Å; V183-W307 HydrophobicContact CG2-CH2 3.74Å; V183-W307 HydrophobicContact CG2-CZ2 4.23Å; V183-W307 HydrophobicContact CG2-CZ3 3.89Å
184	H	95.8	Very high	88.2	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.019	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.2	175.6	-67.8	117.9	0	0	0	111.4	L137 E242 W243 R301 P305 C306 D308 E309	L137-H184 WeakPolarHBondContact CD1-CE1 3.36Å; L137-H184 WeakPolarHBondContact CD1-ND1 3.46Å; H184-E242 CarbonylContact C-O 3.57Å; H184-E242 WeakPolarHBondContact CA-O 3.42Å; H184-W243 AromaticContact NE2-CE3 3.64Å; H184-R301 HydrophobicContact CB-CB 3.73Å; H184-R301 PolarHBondContact CD2-NH1 3.49Å; H184-R301 PolarHBondContact CD2-NH2 3.06Å; H184-R301 PolarHBondContact CE1-NH2 3.5Å; H184-R301 VanDerWaalsContact CE1-NH2 3.34Å; H184-R301 PolarHBondContact ND1-NH2 2.73Å; H184-R301 PolarHBondContact NE2-NH2 2.88Å; H184-P305 CarbonylContact O-C 3.54Å; H184-P305 VanDerWaalsContact O-CA 3.28Å; H184-P305 WeakPolarHBondContact O-CA 3.46Å; H184-C306 WeakPolarHBondContact CA-O 3.48Å; H184-C306 VanDerWaalsContact CB-O 3.27Å; H184-C306 WeakPolarHBondContact CB-O 3.41Å; H184-C306 PolarHBondContact N-O 2.95Å; H184-C306 PolarHBondContact O-N 2.83Å; H184-D308 HydrophobicContact CB-CB 3.94Å; H184-D308 PolarHBondContact ND1-N 3.4Å; H184-E309 IonicContact CE1-OE1 3.73Å; H184-E309 PolarHBondContact CE1-OE1 3.3Å; H184-E309 VanDerWaalsContact CE1-OE1 3.3Å
185	A	94.7	Very high	85.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.			trans	-158.1	132.2	168.7	0	0	0	0	0	109.2	L189 I191 Y237 E242 Y244 R301 P305	A185-L189 HydrophobicContact CB-CD2 4.42Å; A185-I191 HydrophobicContact CB-CD1 3.95Å; A185-Y237 WeakPolarHBondContact O-CE2 3.4Å; A185-Y237 PolarHBondContact O-OH 3.08Å; A185-E242 CarbonylContact C-O 3.52Å; A185-E242 PolarHBondContact N-O 3.45Å; A185-E242 CarbonylContact O-C 3.38Å; A185-Y244 HydrophobicContact CB-CD2 3.68Å; A185-Y244 HydrophobicContact CB-CE2 3.57Å; A185-R301 WeakPolarHBondContact CA-O 3.42Å; A185-P305 HydrophobicContact CB-CB 4.42Å
186	H	93	Very high	83.6	Confident	16 Å²	16	52.5 Å²	52.5	7%	0.074	28%	0.275	C	S	.	.			trans	-69.8	143.2	176.7	-172.6	-86.6	0	0	0	110.5	R188 L189 E242 R301 R302	H186-R188 PolarHBondContact CE1-NE 3.37Å; H186-R188 VanDerWaalsContact CE1-NE 3.35Å; H186-R188 WeakPolarHBondContact ND1-CB 3.38Å; H186-R188 PolarHBondContact ND1-N 2.86Å; H186-R188 VanDerWaalsContact ND1-N 3.11Å; H186-R188 PolarHBondContact O-N 3.23Å; H186-L189 VanDerWaalsContact O-CB 3.23Å; H186-L189 WeakPolarHBondContact O-CB 3.36Å; H186-L189 PolarHBondContact O-N 2.77Å; H186-E242 IonicContact CD2-OE1 3.23Å; H186-E242 PolarHBondContact CD2-OE1 2.97Å; H186-E242 IonicContact NE2-OE1 2.83Å; H186-R301 HydrophobicContact CB-CG 4.46Å; H186-R301 PolarHBondContact N-O 2.87Å; H186-R302 HydrophobicContact CB-CB 4.27Å; H186-R302 HydrophobicContact CB-CG 3.81Å; H186-R302 VanDerWaalsContact CD2-CZ 3.41Å; H186-R302 PolarHBondContact CD2-NH1 2.99Å; H186-R302 PolarHBondContact CD2-NH2 2.78Å; H186-R302 PolarHBondContact CE1-NH1 2.91Å; H186-R302 VanDerWaalsContact CE1-NH1 3.28Å; H186-R302 PolarHBondContact NE2-NH1 3.25Å; H186-R302 PolarHBondContact NE2-NH2 3.39Å
187	S	88.4	Confident	81.1	Confident	67 Å²	67	55.3 Å²	55.3	47%	0.469	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.5	-175.2	58.8	0	0	0	0	114.8	Y237	S187-Y237 WeakPolarHBondContact CA-OH 3.42Å; S187-Y237 PolarHBondContact N-OH 3.2Å
188	R	88.8	Confident	78.2	Confident	113 Å²	113	57.7 Å²	57.7	43%	0.426	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-8	174.5	-65.4	-173.4	-66.3	175.1	-3.6	114.8	H186 N190 E272 R302	H186-R188 PolarHBondContact CE1-NE 3.37Å; H186-R188 VanDerWaalsContact CE1-NE 3.35Å; H186-R188 WeakPolarHBondContact ND1-CB 3.38Å; H186-R188 PolarHBondContact ND1-N 2.86Å; H186-R188 VanDerWaalsContact ND1-N 3.11Å; H186-R188 PolarHBondContact O-N 3.23Å; R188-N190 PolarHBondContact O-N 3.39Å; R188-E272 IonicContact CZ-OE1 3.03Å; R188-E272 IonicContact CZ-OE2 3.24Å; R188-E272 IonicContact NH1-OE1 3.18Å; R188-E272 PolarHBondContact NH1-OE1 3.44Å; R188-E272 IonicContact NH1-OE2 3.15Å; R188-E272 VanDerWaalsContact NH2-CD 3.33Å; R188-E272 IonicContact NH2-OE1 2.84Å; R188-E272 PolarHBondContact NH2-OE1 3Å; R188-E272 IonicContact NH2-OE2 2.68Å; R188-E272 PolarHBondContact NH2-OE2 3.22Å; R188-R302 VanDerWaalsContact NH2-NH1 3.11Å
189	L	92.1	Very high	75.2	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	33%	0.331	C	S	.	.	S	Bend	trans	-79.9	102.7	170.9	-173.9	65.7	0	0	0	107.7	F164 A185 H186 I191 F265 P305	F164-L189 HydrophobicContact CE2-CD1 4.42Å; F164-L189 HydrophobicContact CZ-CD1 4.48Å; A185-L189 HydrophobicContact CB-CD2 4.42Å; H186-L189 VanDerWaalsContact O-CB 3.23Å; H186-L189 WeakPolarHBondContact O-CB 3.36Å; H186-L189 PolarHBondContact O-N 2.77Å; L189-I191 HydrophobicContact CD2-CG1 4.37Å; L189-I191 HydrophobicContact CG-CG1 4.25Å; L189-I191 PolarHBondContact O-N 2.7Å; L189-I191 VanDerWaalsContact O-N 3.1Å; L189-F265 HydrophobicContact CD1-CB 4.16Å; L189-F265 HydrophobicContact CD1-CD2 3.76Å; L189-F265 HydrophobicContact CD1-CG 4.25Å; L189-F265 HydrophobicContact CG-CB 4.21Å; L189-F265 HydrophobicContact CG-CD2 4.48Å; L189-P305 HydrophobicContact CD2-CG 4.16Å
190	N	88.9	Confident	72	Confident	115 Å²	115	69.7 Å²	69.7	62%	0.615	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	102	179.8	-174.3	2.8	0	0	0	109.3	R188 F265 R266	R188-N190 PolarHBondContact O-N 3.39Å; N190-F265 CarbonylContact O-C 3.55Å; N190-F265 WeakPolarHBondContact O-CA 3.5Å; N190-R266 WeakPolarHBondContact CB-O 3.31Å; N190-R266 PolarHBondContact N-O 2.92Å; N190-R266 PolarHBondContact O-N 2.79Å
191	I	84.6	Confident	68.9	Low	8 Å²	8	71.1 Å²	71.1	4%	0.041	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.3	176.1	-56	173.7	0	0	0	108.3	A185 L189 L193 I217 Y244 F262 F265 P305	A185-I191 HydrophobicContact CB-CD1 3.95Å; L189-I191 HydrophobicContact CD2-CG1 4.37Å; L189-I191 HydrophobicContact CG-CG1 4.25Å; L189-I191 PolarHBondContact O-N 2.7Å; L189-I191 VanDerWaalsContact O-N 3.1Å; I191-L193 HydrophobicContact CG2-CD2 4.33Å; I191-L193 PolarHBondContact O-N 3.49Å; I191-I217 HydrophobicContact CG2-CD1 4.22Å; I191-Y244 HydrophobicContact CD1-CD2 4.01Å; I191-Y244 HydrophobicContact CD1-CE2 3.37Å; I191-F262 HydrophobicContact CG2-CD1 3.98Å; I191-F265 HydrophobicContact CG1-CB 4.09Å; I191-P305 HydrophobicContact CD1-CB 4.33Å; I191-P305 HydrophobicContact CD1-CG 3.47Å; I191-P305 VanDerWaalsContact CD1-CG 3.47Å; I191-P305 HydrophobicContact CG1-CG 4.12Å
192	S	76.5	Confident	65.7	Low	41 Å²	41	77.6 Å²	77.6	29%	0.287	39%	0.393	S	S	.	.			trans	-66.1	105.9	174.1	177.7	0	0	0	0	110.2	Q264	S192-Q264 PolarHBondContact N-O 3.2Å
193	L	67.2	Low	62.5	Low	60 Å²	60	81.5 Å²	81.5	31%	0.314	42%	0.424	S	S	.	.			trans	-99.8	-10.5	177.9	-65.4	176.2	0	0	0	113.3	I191 E195 I196 I217 I235 Y244	I191-L193 HydrophobicContact CG2-CD2 4.33Å; I191-L193 PolarHBondContact O-N 3.49Å; L193-E195 VanDerWaalsContact C-N 3.26Å; L193-E195 PolarHBondContact O-N 3.18Å; L193-I196 PolarHBondContact O-N 3.25Å; L193-I217 HydrophobicContact CD2-CD1 3.49Å; L193-I217 VanDerWaalsContact CD2-CD1 3.49Å; L193-I235 HydrophobicContact CD2-CD1 4.23Å; L193-I235 HydrophobicContact CD2-CG2 4.32Å; L193-Y244 HydrophobicContact CD1-CE1 4.24Å
194	D	51.8	Low	59.3	Low	158 Å²	158	88 Å²	88	85%	0.845	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	16.6	-154.9	-85.5	-22.2	0	0	0	118.2
195	E	44.9	Very low	56.3	Low	70 Å²	70	92.8 Å²	92.8	33%	0.327	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	8.1	171.1	-89.5	-166	159.8	0	0	115.6	L193 I197 C214 L216	L193-E195 VanDerWaalsContact C-N 3.26Å; L193-E195 PolarHBondContact O-N 3.18Å; E195-I197 PolarHBondContact O-N 3.28Å; E195-C214 HydrophobicContact CG-CB 4.19Å; E195-C214 WeakPolarHBondContact OE1-CB 3.48Å; E195-C214 WeakPolarHBondContact OE2-CB 3.31Å; E195-L216 HydrophobicContact CB-CD1 3.25Å
196	I	43.5	Very low	53.7	Low	64 Å²	64	101.4 Å²	101.4	33%	0.328	53%	0.53	S	S	.	.	S	Bend	trans	-66.3	-24.8	177.3	-63.5	-179.2	0	0	0	112.6	L193 L232 I235	L193-I196 PolarHBondContact O-N 3.25Å; I196-L232 HydrophobicContact CD1-CD1 4.37Å; I196-I235 HydrophobicContact CD1-CB 4.25Å; I196-I235 HydrophobicContact CD1-CD1 3.75Å; I196-I235 HydrophobicContact CD1-CG1 3.85Å
197	I	39.4	Very low	51.3	Low	146 Å²	146	106.6 Å²	106.6	75%	0.749	56%	0.558	S	S	*	*	S	Bend	trans	-108.8	-24.7	-169.7	-59.5	-178.2	0	0	0	115.1	E195	E195-I197 PolarHBondContact O-N 3.28Å
198	N	32.7	Very low	48.8	Very low	109 Å²	109	111.1 Å²	111.1	58%	0.583	58%	0.577	S	S	*	*			trans	-142.2	93.6	-175	-75.3	-52.2	0	0	0	113	K200	N198-K200 PolarHBondContact O-N 2.98Å
199	K	31.4	Very low	46.1	Very low	199 Å²	199	113.2 Å²	113.2	87%	0.865	59%	0.592	S	S	*	*			trans	-60.9	82.1	156.9	-76.5	-179.4	177.1	172.3	0	109.4
200	K	25.8	Very low	43.2	Very low	170 Å²	170	120.1 Å²	120.1	74%	0.739	62%	0.622	S	S	*	*			trans	-138.3	99.4	172	-79.1	-169.4	178.7	177.2	0	111.3	N198	N198-K200 PolarHBondContact O-N 2.98Å
201	S	25.8	Very low	40.3	Very low	115 Å²	115	120.7 Å²	120.7	80%	0.804	62%	0.624	S	S	*	*			trans	45.1	112	143.9	56.4	0	0	0	0	118.8
202	F	26.4	Very low	37.8	Very low	141 Å²	141	124.1 Å²	124.1	62%	0.618	64%	0.642	S	S	*	*			trans	-53.1	139.1	168.1	-92.8	-110.3	0	0	0	114.7
203	S	26.3	Very low	35.8	Very low	114 Å²	114	125.4 Å²	125.4	80%	0.797	65%	0.651	S	S	*	*			trans	-126.6	133.2	154.2	55.3	0	0	0	0	109.1
204	V	28	Very low	34.4	Very low	137 Å²	137	125.9 Å²	125.9	83%	0.83	66%	0.658	S	S	*	*			trans	-75.4	129	178.7	178.1	0	0	0	0	109.1
205	D	32	Very low	34.1	Very low	104 Å²	104	121 Å²	121	56%	0.556	63%	0.629	S	S	*	*			trans	-92.9	143.7	167.1	-159.2	-1.4	0	0	0	109.8	N207 L211	D205-N207 PolarHBondContact O-N 3.34Å; D205-L211 HydrophobicContact CB-CD1 4.21Å
206	E	40.8	Very low	34.9	Very low	180 Å²	180	120.7 Å²	120.7	84%	0.841	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-3	-166.6	-71.7	-174.8	161.2	0	0	114.3	N208	E206-N208 PolarHBondContact O-N 2.89Å
207	N	40.9	Very low	36.2	Very low	126 Å²	126	118.1 Å²	118.1	67%	0.674	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	2.1	-169.2	-76.5	-25.2	0	0	0	116	D205 E209	D205-N207 PolarHBondContact O-N 3.34Å; N207-E209 PolarHBondContact O-N 3.25Å
208	N	35.9	Very low	38.1	Very low	162 Å²	162	112.1 Å²	112.1	87%	0.866	59%	0.587	S	S	*	*			trans	50	12.9	176.7	-92.7	-7.4	0	0	0	115.4	E206 F210	E206-N208 PolarHBondContact O-N 2.89Å; N208-F210 PolarHBondContact O-N 2.97Å
209	E	33.7	Very low	40.2	Very low	157 Å²	157	107 Å²	107	73%	0.734	56%	0.559	S	S	*	*			trans	-61.3	135.6	159.9	-79.4	-169.1	156.5	0	0	106.4	N207 L211	N207-E209 PolarHBondContact O-N 3.25Å; E209-L211 PolarHBondContact O-N 3.49Å
210	F	29.8	Very low	42.5	Very low	147 Å²	147	100.3 Å²	100.3	65%	0.645	53%	0.533	S	S	*	.			trans	-61.8	77.2	-177.3	-148.6	-90.2	0	0	0	109.9	N208 L212 H341	N208-F210 PolarHBondContact O-N 2.97Å; F210-L212 HydrophobicContact CD1-CB 4.21Å; F210-L212 HydrophobicContact CD1-CD1 3.7Å; F210-L212 HydrophobicContact CD1-CG 4Å; F210-L212 HydrophobicContact CE1-CB 4.44Å; F210-L212 HydrophobicContact CE1-CD1 3.35Å; F210-L212 HydrophobicContact CE1-CG 3.73Å; F210-L212 PolarHBondContact O-N 3.14Å; F210-H341 AromaticContact CD2-NE2 3.74Å
211	L	29.5	Very low	44.9	Very low	126 Å²	126	94.6 Å²	94.6	66%	0.66	51%	0.51	S	S	*	.			trans	-77.5	68.7	171.1	-71.9	170.1	0	0	0	106.6	D205 E209 S213	D205-L211 HydrophobicContact CB-CD1 4.21Å; E209-L211 PolarHBondContact O-N 3.49Å; L211-S213 PolarHBondContact O-N 2.96Å
212	L	32.3	Very low	46.9	Very low	81 Å²	81	90.9 Å²	90.9	42%	0.424	48%	0.481	S	S	.	.			trans	-52.8	129.5	163.2	-121.8	152.1	0	0	0	106.5	F210 Y215	F210-L212 HydrophobicContact CD1-CB 4.21Å; F210-L212 HydrophobicContact CD1-CD1 3.7Å; F210-L212 HydrophobicContact CD1-CG 4Å; F210-L212 HydrophobicContact CE1-CB 4.44Å; F210-L212 HydrophobicContact CE1-CD1 3.35Å; F210-L212 HydrophobicContact CE1-CG 3.73Å; F210-L212 PolarHBondContact O-N 3.14Å; L212-Y215 HydrophobicContact CB-CE1 4.09Å; L212-Y215 HydrophobicContact CB-CE2 3.68Å; L212-Y215 WeakPolarHBondContact CB-OH 3.47Å; L212-Y215 WeakPolarHBondContact CD1-OH 3.46Å; L212-Y215 HydrophobicContact CD2-CE1 4.03Å; L212-Y215 HydrophobicContact CG-CE1 4.48Å; L212-Y215 WeakPolarHBondContact CG-OH 3.28Å; L212-Y215 WeakPolarHBondContact O-CE2 3.49Å
213	S	34.1	Very low	48.6	Very low	67 Å²	67	91.1 Å²	91.1	47%	0.469	49%	0.489	S	S	.	.	S	Bend	trans	-34.4	134.1	-178.4	52.6	0	0	0	0	115.1	L211 Y215	L211-S213 PolarHBondContact O-N 2.96Å; S213-Y215 WeakPolarHBondContact O-CD2 3.33Å; S213-Y215 PolarHBondContact O-N 3.47Å; S213-Y215 VanDerWaalsContact O-N 3.12Å
214	C	38.2	Very low	49.9	Very low	70 Å²	70	88.6 Å²	88.6	47%	0.473	48%	0.481	S	S	.	.			trans	-26	108	174.2	-54.5	0	0	0	0	113.4	E195 L216	E195-C214 HydrophobicContact CG-CB 4.19Å; E195-C214 WeakPolarHBondContact OE1-CB 3.48Å; E195-C214 WeakPolarHBondContact OE2-CB 3.31Å; C214-L216 PolarHBondContact O-N 2.9Å
215	Y	45.7	Very low	50.8	Low	57 Å²	57	86.4 Å²	86.4	22%	0.224	47%	0.465	C	S	.	.			trans	-87.6	92.6	-165.8	-71.6	-83.5	0	0	0	111	L212 S213 G263 Q264	L212-Y215 HydrophobicContact CB-CE1 4.09Å; L212-Y215 HydrophobicContact CB-CE2 3.68Å; L212-Y215 WeakPolarHBondContact CB-OH 3.47Å; L212-Y215 WeakPolarHBondContact CD1-OH 3.46Å; L212-Y215 HydrophobicContact CD2-CE1 4.03Å; L212-Y215 HydrophobicContact CG-CE1 4.48Å; L212-Y215 WeakPolarHBondContact CG-OH 3.28Å; L212-Y215 WeakPolarHBondContact O-CE2 3.49Å; S213-Y215 WeakPolarHBondContact O-CD2 3.33Å; S213-Y215 PolarHBondContact O-N 3.47Å; S213-Y215 VanDerWaalsContact O-N 3.12Å; Y215-G263 VanDerWaalsContact CD1-C 3.44Å; Y215-G263 WeakPolarHBondContact CD1-O 3.38Å; Y215-G263 WeakPolarHBondContact CE1-O 3.35Å; Y215-Q264 HydrophobicContact CD1-CB 4.41Å; Y215-Q264 HydrophobicContact CD2-CB 3.75Å; Y215-Q264 HydrophobicContact CD2-CG 4.38Å; Y215-Q264 VanDerWaalsContact CD2-OE1 3.23Å; Y215-Q264 HydrophobicContact CE2-CB 4.29Å; Y215-Q264 HydrophobicContact CG-CB 3.74Å
216	L	61.2	Low	51.5	Low	63 Å²	63	86.9 Å²	86.9	33%	0.33	48%	0.476	S	S	.	.			trans	-77.1	149.1	-178.9	-160.6	79.6	0	0	0	112.1	E195 C214 S218	E195-L216 HydrophobicContact CB-CD1 3.25Å; C214-L216 PolarHBondContact O-N 2.9Å; L216-S218 PolarHBondContact O-N 2.99Å
217	I	70.8	Confident	51.7	Low	9 Å²	9	85.6 Å²	85.6	5%	0.046	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	118.2	157.2	-59.7	173.1	0	0	0	107.5	I191 L193 L232 I235 L260 A261 F262	I191-I217 HydrophobicContact CG2-CD1 4.22Å; L193-I217 HydrophobicContact CD2-CD1 3.49Å; L193-I217 VanDerWaalsContact CD2-CD1 3.49Å; I217-L232 HydrophobicContact CB-CD1 3.84Å; I217-L232 HydrophobicContact CG2-CD1 3.79Å; I217-L232 WeakPolarHBondContact O-CD1 3.38Å; I217-I235 HydrophobicContact CB-CD1 4.24Å; I217-I235 HydrophobicContact CD1-CD1 3.37Å; I217-I235 HydrophobicContact CG1-CD1 4.37Å; I217-I235 HydrophobicContact CG2-CD1 4.25Å; I217-L260 HydrophobicContact CG2-CD1 3.76Å; I217-A261 VanDerWaalsContact CA-O 3.24Å; I217-A261 WeakPolarHBondContact CA-O 3.46Å; I217-F262 HydrophobicContact CD1-CD1 3.69Å; I217-F262 HydrophobicContact CD1-CE1 3.6Å; I217-F262 HydrophobicContact CG1-CD1 3.71Å; I217-F262 HydrophobicContact CG1-CE1 4.03Å; I217-F262 HydrophobicContact CG2-CD1 4.49Å; I217-F262 HydrophobicContact CG2-CE1 4.32Å
218	S	78.8	Confident	52.4	Low	21 Å²	21	81.3 Å²	81.3	15%	0.147	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144	-176.8	69.7	0	0	0	0	111.8	L216 L260 A261	L216-S218 PolarHBondContact O-N 2.99Å; S218-L260 CarbonylContact O-C 3.49Å; S218-L260 WeakPolarHBondContact O-CA 3.43Å; S218-A261 PolarHBondContact N-O 3.48Å; S218-A261 VanDerWaalsContact N-O 3.14Å; S218-A261 PolarHBondContact O-N 2.81Å
219	I	77	Confident	54	Low	0 Å²	0	77.7 Å²	77.7	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121.4	171.3	-62.1	177.6	0	0	0	108.6	F181 N229 I230 L232 L248 L252 Y258 K259 L260	F181-I219 HydrophobicContact CE1-CD1 3.59Å; F181-I219 HydrophobicContact CZ-CD1 3.67Å; I219-N229 WeakPolarHBondContact O-CA 3.45Å; I219-I230 HydrophobicContact CB-CB 4.06Å; I219-I230 HydrophobicContact CG2-CB 4.04Å; I219-I230 HydrophobicContact CG2-CD1 4.1Å; I219-I230 HydrophobicContact CG2-CG1 4.3Å; I219-I230 PolarHBondContact O-N 3.26Å; I219-L232 HydrophobicContact CD1-CD2 4Å; I219-L232 HydrophobicContact CG1-CD2 4.34Å; I219-L248 HydrophobicContact CD1-CD1 4.2Å; I219-L248 HydrophobicContact CD1-CD2 3.41Å; I219-L248 VanDerWaalsContact CD1-CD2 3.41Å; I219-L248 HydrophobicContact CD1-CG 4.43Å; I219-L252 HydrophobicContact CG2-CD2 4.31Å; I219-Y258 HydrophobicContact CG2-CD1 4.18Å; I219-Y258 HydrophobicContact CG2-CG 4.29Å; I219-K259 CarbonylContact C-O 3.39Å; I219-K259 VanDerWaalsContact CA-O 3.27Å; I219-K259 WeakPolarHBondContact CA-O 3.14Å; I219-L260 HydrophobicContact CD1-CD1 4.28Å; I219-L260 HydrophobicContact CG1-CD1 3.68Å
220	L	79.9	Confident	56.1	Low	60 Å²	60	70.4 Å²	70.4	31%	0.314	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	150.6	-176.8	-49.6	174.1	0	0	0	110	N229 Y258 K259	L220-N229 HydrophobicContact CD2-CB 4.36Å; L220-N229 VanDerWaalsContact CD2-CG 3.48Å; L220-N229 WeakPolarHBondContact CD2-OD1 3.07Å; L220-Y258 CarbonylContact O-C 3.49Å; L220-Y258 VanDerWaalsContact O-CA 3.26Å; L220-Y258 WeakPolarHBondContact O-CA 3.48Å; L220-Y258 WeakPolarHBondContact O-CB 3.08Å; L220-K259 HydrophobicContact CB-CB 4.29Å; L220-K259 PolarHBondContact N-O 3.01Å; L220-K259 PolarHBondContact O-N 3.08Å
221	N	75.1	Confident	58.6	Low	49 Å²	49	68 Å²	68	26%	0.262	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	142.5	167.4	-67.2	-31.4	0	0	0	110	D223 Y258	N221-D223 VanDerWaalsContact C-N 3.28Å; N221-D223 PolarHBondContact O-N 3.32Å; N221-Y258 WeakPolarHBondContact OD1-CE1 3.28Å
222	D	69.3	Low	61.1	Low	37 Å²	37	63.4 Å²	63.4	20%	0.198	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-30.6	-174.9	-166.7	45	0	0	0	113.2	K171 G224 Y257 K259	K171-D222 WeakPolarHBondContact CE-OD2 3.46Å; K171-D222 IonicContact NZ-OD1 2.86Å; K171-D222 IonicContact NZ-OD2 3.37Å; K171-D222 PolarHBondContact NZ-OD2 3.22Å; D222-G224 PolarHBondContact O-N 3.28Å; D222-Y257 WeakPolarHBondContact CB-O 3.03Å; D222-Y257 PolarHBondContact N-O 2.93Å; D222-K259 PolarHBondContact O-NZ 3.28Å; D222-K259 WeakPolarHBondContact OD1-CE 3.45Å; D222-K259 IonicContact OD1-NZ 3.53Å
223	D	62.1	Low	63.6	Low	147 Å²	147	68.1 Å²	68.1	79%	0.786	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-0.1	-175.4	-62.4	-30.8	0	0	0	114.4	N221 D225	N221-D223 VanDerWaalsContact C-N 3.28Å; N221-D223 PolarHBondContact O-N 3.32Å; D223-D225 HydrophobicContact CB-CB 4.34Å; D223-D225 PolarHBondContact O-N 2.92Å
224	G	52.7	Low	66.1	Low	61 Å²	61	68.4 Å²	68.4	63%	0.629	38%	0.38	S	S	*	.			trans	66.8	-4.1	-175.3	0	0	0	0	0	113	D222 S226	D222-G224 PolarHBondContact O-N 3.28Å; G224-S226 PolarHBondContact O-N 2.95Å; G224-S226 VanDerWaalsContact O-N 3.09Å
225	D	47.3	Very low	68.4	Low	91 Å²	91	66.1 Å²	66.1	49%	0.487	36%	0.363	S	S	.	.			trans	-69	110	177.6	-139.4	-10.5	0	0	0	107.7	D223 H227	D223-D225 HydrophobicContact CB-CB 4.34Å; D223-D225 PolarHBondContact O-N 2.92Å; D225-H227 PolarHBondContact O-N 2.94Å; D225-H227 IonicContact OD1-CD2 3.76Å; D225-H227 PolarHBondContact OD1-CD2 2.74Å; D225-H227 VanDerWaalsContact OD1-CD2 3.3Å; D225-H227 IonicContact OD1-NE2 3.63Å; D225-H227 IonicContact OD2-CD2 3.86Å; D225-H227 PolarHBondContact OD2-CD2 2.93Å; D225-H227 VanDerWaalsContact OD2-CD2 3.28Å; D225-H227 IonicContact OD2-NE2 2.69Å
226	S	46.8	Very low	70.4	Confident	114 Å²	114	65.4 Å²	65.4	80%	0.797	37%	0.367	S	S	*	.			trans	-60.7	15.2	-179.5	56.3	0	0	0	0	114.7	G224 G228	G224-S226 PolarHBondContact O-N 2.95Å; G224-S226 VanDerWaalsContact O-N 3.09Å; S226-G228 PolarHBondContact O-N 3.1Å
227	H	44.9	Very low	71.7	Confident	152 Å²	152	65.6 Å²	65.6	70%	0.704	36%	0.363	S	S	*	.	S	Bend	trans	-70.9	39.3	-179.6	-76.7	-49.6	0	0	0	114.8	D225	D225-H227 PolarHBondContact O-N 2.94Å; D225-H227 IonicContact OD1-CD2 3.76Å; D225-H227 PolarHBondContact OD1-CD2 2.74Å; D225-H227 VanDerWaalsContact OD1-CD2 3.3Å; D225-H227 IonicContact OD1-NE2 3.63Å; D225-H227 IonicContact OD2-CD2 3.86Å; D225-H227 PolarHBondContact OD2-CD2 2.93Å; D225-H227 VanDerWaalsContact OD2-CD2 3.28Å; D225-H227 IonicContact OD2-NE2 2.69Å
228	G	55.5	Low	72.5	Confident	36 Å²	36	68.3 Å²	68.3	37%	0.371	38%	0.376	S	S	.	.			trans	117.2	113.1	163.2	0	0	0	0	0	112.4	S226 I230	S226-G228 PolarHBondContact O-N 3.1Å; G228-I230 PolarHBondContact O-N 3.42Å
229	N	69.8	Low	72.6	Confident	86 Å²	86	72.8 Å²	72.8	46%	0.46	40%	0.395	S	S	.	.			trans	-52.4	135.1	154.2	-69.7	12.8	0	0	0	107.5	I219 L220 D231	I219-N229 WeakPolarHBondContact O-CA 3.45Å; L220-N229 HydrophobicContact CD2-CB 4.36Å; L220-N229 VanDerWaalsContact CD2-CG 3.48Å; L220-N229 WeakPolarHBondContact CD2-OD1 3.07Å; N229-D231 PolarHBondContact O-N 3.32Å
230	I	77.7	Confident	72.6	Confident	4 Å²	4	78.9 Å²	78.9	2%	0.021	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-76.4	107.3	168.4	-61.6	-174	0	0	0	106.5	I219 G228 L232 L248 Q250 L252 Y258	I219-I230 HydrophobicContact CB-CB 4.06Å; I219-I230 HydrophobicContact CG2-CB 4.04Å; I219-I230 HydrophobicContact CG2-CD1 4.1Å; I219-I230 HydrophobicContact CG2-CG1 4.3Å; I219-I230 PolarHBondContact O-N 3.26Å; G228-I230 PolarHBondContact O-N 3.42Å; I230-L232 PolarHBondContact O-N 2.96Å; I230-L248 HydrophobicContact CG2-CB 4.16Å; I230-L248 HydrophobicContact CG2-CD1 4.17Å; I230-L248 HydrophobicContact CG2-CD2 4.32Å; I230-L248 HydrophobicContact CG2-CG 4.45Å; I230-Q250 HydrophobicContact CG2-CG 3.82Å; I230-L252 HydrophobicContact CD1-CD2 3.45Å; I230-L252 VanDerWaalsContact CD1-CD2 3.45Å; I230-Y258 HydrophobicContact CD1-CD1 3.8Å; I230-Y258 HydrophobicContact CD1-CE1 3.44Å; I230-Y258 VanDerWaalsContact CD1-CE1 3.44Å
231	D	82	Confident	72.7	Confident	98 Å²	98	76.7 Å²	76.7	52%	0.524	42%	0.416	S	S	.	.			trans	-60.5	131.5	-180	-72	-31.7	0	0	0	110.4	N229 V249	N229-D231 PolarHBondContact O-N 3.32Å; D231-V249 HydrophobicContact CB-CB 4.24Å; D231-V249 HydrophobicContact CB-CG2 3.78Å; D231-V249 WeakPolarHBondContact O-CG2 3.33Å; D231-V249 PolarHBondContact O-N 3.45Å
232	L	82.3	Confident	73.3	Confident	28 Å²	28	76.1 Å²	76.1	15%	0.147	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	130.2	171.8	-57.9	179	0	0	0	108.5	I196 I217 I219 I230 I235 I246 E247 L248	I196-L232 HydrophobicContact CD1-CD1 4.37Å; I217-L232 HydrophobicContact CB-CD1 3.84Å; I217-L232 HydrophobicContact CG2-CD1 3.79Å; I217-L232 WeakPolarHBondContact O-CD1 3.38Å; I219-L232 HydrophobicContact CD1-CD2 4Å; I219-L232 HydrophobicContact CG1-CD2 4.34Å; I230-L232 PolarHBondContact O-N 2.96Å; L232-I235 HydrophobicContact CD1-CD1 3.91Å; L232-I235 HydrophobicContact CD1-CG1 4.42Å; L232-I246 HydrophobicContact CD2-CG2 3.64Å; L232-E247 CarbonylContact C-O 3.41Å; L232-L248 HydrophobicContact CD2-CD2 3.45Å; L232-L248 VanDerWaalsContact CD2-CD2 3.45Å
233	R	85.5	Confident	74.4	Confident	180 Å²	180	75 Å²	75	68%	0.679	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	-44.6	173.1	-178.8	178.8	-177	163.7	1.1	111.1	E247 V249	R233-E247 HydrophobicContact CB-CB 4.3Å; R233-E247 PolarHBondContact N-O 3.3Å; R233-V249 HydrophobicContact CB-CG2 4.09Å
234	N	85.3	Confident	75.7	Confident	73 Å²	73	69.2 Å²	69.2	39%	0.39	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	153.3	-175.9	-169.3	26.5	0	0	0	110.7	E247	N234-E247 HydrophobicContact CB-CB 4.14Å; N234-E247 HydrophobicContact CB-CG 4.47Å; N234-E247 PolarHBondContact N-O 3.43Å; N234-E247 PolarHBondContact O-N 3.27Å
235	I	86	Confident	77.6	Confident	23 Å²	23	68.7 Å²	68.7	12%	0.118	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.7	166.3	-64.9	-173.1	0	0	0	107.5	L193 I196 I217 L232 Y244 K245 I246	L193-I235 HydrophobicContact CD2-CD1 4.23Å; L193-I235 HydrophobicContact CD2-CG2 4.32Å; I196-I235 HydrophobicContact CD1-CB 4.25Å; I196-I235 HydrophobicContact CD1-CD1 3.75Å; I196-I235 HydrophobicContact CD1-CG1 3.85Å; I217-I235 HydrophobicContact CB-CD1 4.24Å; I217-I235 HydrophobicContact CD1-CD1 3.37Å; I217-I235 HydrophobicContact CG1-CD1 4.37Å; I217-I235 HydrophobicContact CG2-CD1 4.25Å; L232-I235 HydrophobicContact CD1-CD1 3.91Å; L232-I235 HydrophobicContact CD1-CG1 4.42Å; I235-Y244 HydrophobicContact CG2-CD1 3.43Å; I235-Y244 VanDerWaalsContact CG2-CD1 3.43Å; I235-Y244 HydrophobicContact CG2-CE1 4.14Å; I235-Y244 HydrophobicContact CG2-CG 4.15Å; I235-K245 WeakPolarHBondContact CA-O 3.21Å; I235-I246 HydrophobicContact CD1-CG1 4.48Å; I235-I246 HydrophobicContact CG1-CG1 4.4Å
236	S	88.4	Confident	79.6	Confident	42 Å²	42	64.3 Å²	64.3	29%	0.294	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.8	176.4	56.2	0	0	0	0	110.5	Y244 K245	S236-Y244 CarbonylContact O-C 3.34Å; S236-Y244 WeakPolarHBondContact O-CA 2.97Å; S236-K245 PolarHBondContact N-O 2.93Å; S236-K245 PolarHBondContact O-N 3.27Å
237	Y	89.4	Confident	81.7	Confident	66 Å²	66	61.1 Å²	61.1	26%	0.259	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.7	178.4	-171.8	-112.7	0	0	0	111.3	A185 S187 E239 E242 W243 Y244	A185-Y237 WeakPolarHBondContact O-CE2 3.4Å; A185-Y237 PolarHBondContact O-OH 3.08Å; S187-Y237 WeakPolarHBondContact CA-OH 3.42Å; S187-Y237 PolarHBondContact N-OH 3.2Å; Y237-E239 HydrophobicContact CD1-CB 4.48Å; Y237-E239 HydrophobicContact CE1-CB 4.2Å; Y237-E239 HydrophobicContact CE1-CG 4.47Å; Y237-E242 WeakPolarHBondContact OH-CA 3.49Å; Y237-W243 WeakPolarHBondContact CD2-O 3.42Å; Y237-Y244 AromaticContact CD2-CD1 3.79Å; Y237-Y244 HydrophobicContact CD2-CD1 3.79Å; Y237-Y244 AromaticContact CD2-CD2 3.85Å; Y237-Y244 HydrophobicContact CD2-CD2 3.85Å; Y237-Y244 AromaticContact CD2-CE1 3.67Å; Y237-Y244 HydrophobicContact CD2-CE1 3.67Å; Y237-Y244 AromaticContact CD2-CE2 3.67Å; Y237-Y244 HydrophobicContact CD2-CE2 3.67Å; Y237-Y244 AromaticContact CD2-CG 3.9Å; Y237-Y244 HydrophobicContact CD2-CG 3.9Å; Y237-Y244 AromaticContact CD2-CZ 3.6Å; Y237-Y244 HydrophobicContact CE2-CD2 4.22Å; Y237-Y244 AromaticContact CE2-CE2 3.95Å; Y237-Y244 HydrophobicContact CE2-CE2 3.95Å; Y237-Y244 HydrophobicContact CG-CD1 4.33Å; Y237-Y244 HydrophobicContact CG-CE1 4.03Å
238	E	86.5	Confident	83.9	Confident	66 Å²	66	54 Å²	54	31%	0.308	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	104.4	172	-65.6	-172.2	-126.8	0	0	109.5	D240 L241 E242 W243	E238-D240 PolarHBondContact O-N 3.23Å; E238-L241 HydrophobicContact CB-CB 4.37Å; E238-L241 PolarHBondContact O-N 2.84Å; E238-L241 WeakPolarHBondContact OE2-CD1 3.39Å; E238-E242 PolarHBondContact O-N 3.34Å; E238-W243 VanDerWaalsContact CD-NE1 3.31Å; E238-W243 PolarHBondContact N-O 3.32Å; E238-W243 PolarHBondContact O-N 3.18Å; E238-W243 PolarHBondContact OE1-NE1 3.17Å; E238-W243 VanDerWaalsContact OE1-NE1 3.12Å
239	E	82.2	Confident	85.5	Confident	115 Å²	115	56.1 Å²	56.1	54%	0.537	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-60.4	-42.2	-173.3	-166.7	-178.4	160.2	0	0	112.5	Y237 L241 E242 K978	Y237-E239 HydrophobicContact CD1-CB 4.48Å; Y237-E239 HydrophobicContact CE1-CB 4.2Å; Y237-E239 HydrophobicContact CE1-CG 4.47Å; E239-L241 VanDerWaalsContact C-N 3.27Å; E239-L241 PolarHBondContact O-N 3.34Å; E239-E242 PolarHBondContact O-N 2.92Å; E239-K978 IonicContact OE1-NZ 3.74Å; E239-K978 PolarHBondContact OE1-NZ 3.1Å; E239-K978 IonicContact OE2-NZ 2.73Å
240	D	75.1	Confident	86.3	Confident	129 Å²	129	57.3 Å²	57.3	69%	0.69	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-68.4	-24.5	-177.5	-64.4	-23.2	0	0	0	113.7	E238	E238-D240 PolarHBondContact O-N 3.23Å
241	L	82.5	Confident	87	Confident	14 Å²	14	58.8 Å²	58.8	7%	0.073	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-105.8	-7	-177.6	-58.7	178.8	0	0	0	112.2	V135 E238 E239 W243	V135-L241 HydrophobicContact CB-CD2 4.3Å; V135-L241 HydrophobicContact CG1-CD2 3.72Å; E238-L241 HydrophobicContact CB-CB 4.37Å; E238-L241 PolarHBondContact O-N 2.84Å; E238-L241 WeakPolarHBondContact OE2-CD1 3.39Å; E239-L241 VanDerWaalsContact C-N 3.27Å; E239-L241 PolarHBondContact O-N 3.34Å; L241-W243 VanDerWaalsContact C-N 3.27Å; L241-W243 HydrophobicContact CB-CD2 3.71Å; L241-W243 HydrophobicContact CB-CE3 4.16Å; L241-W243 HydrophobicContact CB-CG 4.05Å; L241-W243 HydrophobicContact CB-CZ2 4.12Å; L241-W243 HydrophobicContact CD1-CD2 4.36Å; L241-W243 VanDerWaalsContact CD1-CE2 3.46Å; L241-W243 HydrophobicContact CD1-CH2 3.83Å; L241-W243 HydrophobicContact CD1-CZ2 3.18Å; L241-W243 HydrophobicContact CG-CZ2 4.2Å; L241-W243 PolarHBondContact O-N 2.98Å
242	E	89	Confident	87.4	Confident	36 Å²	36	54.1 Å²	54.1	17%	0.168	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	43	-177.5	-54.9	-177.7	129	0	0	113.3	H184 A185 H186 Y237 E238 E239 R301	H184-E242 CarbonylContact C-O 3.57Å; H184-E242 WeakPolarHBondContact CA-O 3.42Å; A185-E242 CarbonylContact C-O 3.52Å; A185-E242 PolarHBondContact N-O 3.45Å; A185-E242 CarbonylContact O-C 3.38Å; H186-E242 IonicContact CD2-OE1 3.23Å; H186-E242 PolarHBondContact CD2-OE1 2.97Å; H186-E242 IonicContact NE2-OE1 2.83Å; Y237-E242 WeakPolarHBondContact OH-CA 3.49Å; E238-E242 PolarHBondContact O-N 3.34Å; E239-E242 PolarHBondContact O-N 2.92Å; E242-R301 VanDerWaalsContact OE2-CD 3.26Å; E242-R301 WeakPolarHBondContact OE2-CD 3.43Å; E242-R301 IonicContact OE2-NH1 3.59Å; E242-R301 PolarHBondContact OE2-NH1 3.37Å
243	W	90.4	Very high	87.7	Confident	14 Å²	14	57.9 Å²	57.9	5%	0.053	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.1	178	65.4	35.4	0	0	0	113.6	V135 L137 F182 V183 H184 Y237 E238 L241	V135-W243 WeakPolarHBondContact O-CZ3 3.35Å; L137-W243 HydrophobicContact CD2-CD2 4.17Å; L137-W243 HydrophobicContact CD2-CE3 3.38Å; L137-W243 HydrophobicContact CD2-CZ3 3.61Å; L137-W243 HydrophobicContact CG-CE3 4.14Å; L137-W243 HydrophobicContact CG-CZ3 4.15Å; F182-W243 HydrophobicContact CB-CD2 4.42Å; F182-W243 HydrophobicContact CD1-CZ2 4.39Å; F182-W243 AromaticContact CD1-NE1 3.86Å; V183-W243 CarbonylContact O-C 3.59Å; V183-W243 VanDerWaalsContact O-CA 3.23Å; V183-W243 WeakPolarHBondContact O-CA 3.29Å; V183-W243 VanDerWaalsContact O-CB 3.31Å; V183-W243 WeakPolarHBondContact O-CB 3.37Å; H184-W243 AromaticContact NE2-CE3 3.64Å; Y237-W243 WeakPolarHBondContact CD2-O 3.42Å; E238-W243 VanDerWaalsContact CD-NE1 3.31Å; E238-W243 PolarHBondContact N-O 3.32Å; E238-W243 PolarHBondContact O-N 3.18Å; E238-W243 PolarHBondContact OE1-NE1 3.17Å; E238-W243 VanDerWaalsContact OE1-NE1 3.12Å; L241-W243 VanDerWaalsContact C-N 3.27Å; L241-W243 HydrophobicContact CB-CD2 3.71Å; L241-W243 HydrophobicContact CB-CE3 4.16Å; L241-W243 HydrophobicContact CB-CG 4.05Å; L241-W243 HydrophobicContact CB-CZ2 4.12Å; L241-W243 HydrophobicContact CD1-CD2 4.36Å; L241-W243 VanDerWaalsContact CD1-CE2 3.46Å; L241-W243 HydrophobicContact CD1-CH2 3.83Å; L241-W243 HydrophobicContact CD1-CZ2 3.18Å; L241-W243 HydrophobicContact CG-CZ2 4.2Å; L241-W243 PolarHBondContact O-N 2.98Å
244	Y	91	Very high	88	Confident	25 Å²	25	51.5 Å²	51.5	10%	0.098	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.8	164.2	-73.1	-81.8	0	0	0	109.5	F182 V183 A185 I191 L193 I235 S236 Y237	F182-Y244 CarbonylContact C-O 3.48Å; F182-Y244 VanDerWaalsContact CA-O 3.24Å; F182-Y244 WeakPolarHBondContact CA-O 3.29Å; V183-Y244 PolarHBondContact N-O 2.76Å; V183-Y244 PolarHBondContact O-N 3.48Å; A185-Y244 HydrophobicContact CB-CD2 3.68Å; A185-Y244 HydrophobicContact CB-CE2 3.57Å; I191-Y244 HydrophobicContact CD1-CD2 4.01Å; I191-Y244 HydrophobicContact CD1-CE2 3.37Å; L193-Y244 HydrophobicContact CD1-CE1 4.24Å; I235-Y244 HydrophobicContact CG2-CD1 3.43Å; I235-Y244 VanDerWaalsContact CG2-CD1 3.43Å; I235-Y244 HydrophobicContact CG2-CE1 4.14Å; I235-Y244 HydrophobicContact CG2-CG 4.15Å; S236-Y244 CarbonylContact O-C 3.34Å; S236-Y244 WeakPolarHBondContact O-CA 2.97Å; Y237-Y244 AromaticContact CD2-CD1 3.79Å; Y237-Y244 HydrophobicContact CD2-CD1 3.79Å; Y237-Y244 AromaticContact CD2-CD2 3.85Å; Y237-Y244 HydrophobicContact CD2-CD2 3.85Å; Y237-Y244 AromaticContact CD2-CE1 3.67Å; Y237-Y244 HydrophobicContact CD2-CE1 3.67Å; Y237-Y244 AromaticContact CD2-CE2 3.67Å; Y237-Y244 HydrophobicContact CD2-CE2 3.67Å; Y237-Y244 AromaticContact CD2-CG 3.9Å; Y237-Y244 HydrophobicContact CD2-CG 3.9Å; Y237-Y244 AromaticContact CD2-CZ 3.6Å; Y237-Y244 HydrophobicContact CE2-CD2 4.22Å; Y237-Y244 AromaticContact CE2-CE2 3.95Å; Y237-Y244 HydrophobicContact CE2-CE2 3.95Å; Y237-Y244 HydrophobicContact CG-CD1 4.33Å; Y237-Y244 HydrophobicContact CG-CE1 4.03Å
245	K	91.3	Very high	88.3	Confident	50 Å²	50	55.3 Å²	55.3	22%	0.217	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.4	160.7	-177.4	-172.7	-174	-159.6	0	108.5	F182 I235 S236 E247	F182-K245 HydrophobicContact CD1-CB 3.76Å; F182-K245 HydrophobicContact CD1-CG 3.91Å; F182-K245 HydrophobicContact CE1-CB 3.81Å; F182-K245 HydrophobicContact CE1-CD 3.96Å; F182-K245 HydrophobicContact CE1-CG 3.58Å; F182-K245 HydrophobicContact CZ-CG 4.34Å; I235-K245 WeakPolarHBondContact CA-O 3.21Å; S236-K245 PolarHBondContact N-O 2.93Å; S236-K245 PolarHBondContact O-N 3.27Å; K245-E247 HydrophobicContact CD-CG 4.38Å; K245-E247 VanDerWaalsContact CE-OE1 3.26Å; K245-E247 WeakPolarHBondContact CE-OE1 3.34Å; K245-E247 HydrophobicContact CG-CG 4.34Å; K245-E247 IonicContact NZ-OE1 3.55Å; K245-E247 PolarHBondContact NZ-OE1 3.44Å
246	I	90.6	Very high	88.5	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.8	177.6	-59.9	177.6	0	0	0	107.8	H180 F181 V183 L232 I235 L248 L260 F262	H180-I246 WeakPolarHBondContact CA-O 3.25Å; H180-I246 WeakPolarHBondContact CB-O 3.27Å; F181-I246 HydrophobicContact CE1-CB 4.13Å; F181-I246 HydrophobicContact CE1-CG2 3.92Å; F181-I246 HydrophobicContact CE2-CB 4.27Å; F181-I246 HydrophobicContact CE2-CD1 3.73Å; F181-I246 HydrophobicContact CE2-CG1 4.46Å; F181-I246 HydrophobicContact CZ-CB 3.99Å; F181-I246 HydrophobicContact CZ-CD1 3.83Å; F181-I246 HydrophobicContact CZ-CG1 4.48Å; F181-I246 HydrophobicContact CZ-CG2 3.89Å; F181-I246 PolarHBondContact N-O 3.09Å; F181-I246 VanDerWaalsContact N-O 3.1Å; F181-I246 PolarHBondContact O-N 2.79Å; V183-I246 HydrophobicContact CG2-CD1 3.98Å; L232-I246 HydrophobicContact CD2-CG2 3.64Å; I235-I246 HydrophobicContact CD1-CG1 4.48Å; I235-I246 HydrophobicContact CG1-CG1 4.4Å; I246-L248 HydrophobicContact CG2-CD2 3.93Å; I246-L260 HydrophobicContact CD1-CD1 4.42Å; I246-L260 HydrophobicContact CD1-CD2 4.31Å; I246-F262 HydrophobicContact CD1-CZ 4.1Å
247	E	91.1	Very high	88.7	Confident	47 Å²	47	59.3 Å²	59.3	22%	0.22	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.2	176.4	-59.2	-172.6	164.3	0	0	110.5	K179 H180 L232 R233 N234 K245	K179-E247 CarbonylContact O-C 3.53Å; K179-E247 WeakPolarHBondContact O-CA 2.97Å; H180-E247 HydrophobicContact CB-CG 4.29Å; L232-E247 CarbonylContact C-O 3.41Å; R233-E247 HydrophobicContact CB-CB 4.3Å; R233-E247 PolarHBondContact N-O 3.3Å; N234-E247 HydrophobicContact CB-CB 4.14Å; N234-E247 HydrophobicContact CB-CG 4.47Å; N234-E247 PolarHBondContact N-O 3.43Å; N234-E247 PolarHBondContact O-N 3.27Å; K245-E247 HydrophobicContact CD-CG 4.38Å; K245-E247 VanDerWaalsContact CE-OE1 3.26Å; K245-E247 WeakPolarHBondContact CE-OE1 3.34Å; K245-E247 HydrophobicContact CG-CG 4.34Å; K245-E247 IonicContact NZ-OE1 3.55Å; K245-E247 PolarHBondContact NZ-OE1 3.44Å
248	L	90.5	Very high	88.8	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	150.1	-173.5	-49.8	-179.7	0	0	0	110.9	K179 F181 I219 I230 L232 I246 Q250 L252	K179-L248 WeakPolarHBondContact O-CB 3.44Å; K179-L248 PolarHBondContact O-N 3.11Å; F181-L248 HydrophobicContact CD1-CD1 4.41Å; F181-L248 HydrophobicContact CE1-CD1 4.12Å; F181-L248 HydrophobicContact CE1-CD2 4.19Å; F181-L248 HydrophobicContact CE1-CG 4.39Å; I219-L248 HydrophobicContact CD1-CD1 4.2Å; I219-L248 HydrophobicContact CD1-CD2 3.41Å; I219-L248 VanDerWaalsContact CD1-CD2 3.41Å; I219-L248 HydrophobicContact CD1-CG 4.43Å; I230-L248 HydrophobicContact CG2-CB 4.16Å; I230-L248 HydrophobicContact CG2-CD1 4.17Å; I230-L248 HydrophobicContact CG2-CD2 4.32Å; I230-L248 HydrophobicContact CG2-CG 4.45Å; L232-L248 HydrophobicContact CD2-CD2 3.45Å; L232-L248 VanDerWaalsContact CD2-CD2 3.45Å; I246-L248 HydrophobicContact CG2-CD2 3.93Å; L248-Q250 VanDerWaalsContact CB-O 3.24Å; L248-Q250 WeakPolarHBondContact CB-O 3.31Å; L248-L252 HydrophobicContact CD1-CD1 4.17Å; L248-L252 HydrophobicContact CD1-CD2 3.54Å; L248-L252 HydrophobicContact CD1-CG 3.55Å
249	V	88.1	Confident	89	Confident	81 Å²	81	56.8 Å²	56.8	49%	0.491	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-41.1	174.6	175.5	0	0	0	0	110.8	K179 D231 R233	K179-V249 PolarHBondContact NZ-O 3.38Å; D231-V249 HydrophobicContact CB-CB 4.24Å; D231-V249 HydrophobicContact CB-CG2 3.78Å; D231-V249 WeakPolarHBondContact O-CG2 3.33Å; D231-V249 PolarHBondContact O-N 3.45Å; R233-V249 HydrophobicContact CB-CG2 4.09Å
250	Q	88	Confident	89.5	Confident	110 Å²	110	51.3 Å²	51.3	51%	0.514	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.8	178.5	62.8	-177.8	41.6	0	0	111.8	I230 L248	I230-Q250 HydrophobicContact CG2-CG 3.82Å; L248-Q250 VanDerWaalsContact CB-O 3.24Å; L248-Q250 WeakPolarHBondContact CB-O 3.31Å
251	S	91	Very high	90.1	Very high	35 Å²	35	45.8 Å²	45.8	25%	0.245	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.3	178.8	-53.5	0	0	0	0	110.8	S177 T178 K179 Q253	S177-S251 WeakPolarHBondContact OG-CB 3.49Å; T178-S251 CarbonylContact O-C 3.44Å; T178-S251 WeakPolarHBondContact O-CA 3.13Å; K179-S251 VanDerWaalsContact CE-OG 3.29Å; K179-S251 WeakPolarHBondContact CE-OG 3.39Å; K179-S251 WeakPolarHBondContact CG-OG 3.34Å; S251-Q253 PolarHBondContact O-NE2 2.93Å
252	L	90.6	Very high	90.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	139.7	160.6	-58.7	-173.3	0	0	0	108.7	V141 C174 S177 T178 F181 I219 I230 L248 Y258	V141-L252 HydrophobicContact CG2-CD1 3.97Å; C174-L252 HydrophobicContact CB-CB 3.95Å; C174-L252 HydrophobicContact CB-CD1 4.19Å; C174-L252 WeakPolarHBondContact SG-CB 3.3Å; S177-L252 VanDerWaalsContact CA-O 3.3Å; S177-L252 WeakPolarHBondContact CA-O 3.29Å; S177-L252 PolarHBondContact OG-O 3.43Å; T178-L252 PolarHBondContact O-N 3.01Å; F181-L252 HydrophobicContact CD1-CD1 4.43Å; I219-L252 HydrophobicContact CG2-CD2 4.31Å; I230-L252 HydrophobicContact CD1-CD2 3.45Å; I230-L252 VanDerWaalsContact CD1-CD2 3.45Å; L248-L252 HydrophobicContact CD1-CD1 4.17Å; L248-L252 HydrophobicContact CD1-CD2 3.54Å; L248-L252 HydrophobicContact CD1-CG 3.55Å; L252-Y258 HydrophobicContact CB-CD2 4.47Å; L252-Y258 HydrophobicContact CB-CE2 3.8Å; L252-Y258 HydrophobicContact CD1-CD2 4.24Å; L252-Y258 HydrophobicContact CD1-CE2 4.39Å; L252-Y258 HydrophobicContact CD2-CD1 4.23Å; L252-Y258 HydrophobicContact CD2-CD2 3.98Å; L252-Y258 HydrophobicContact CD2-CE1 4.11Å; L252-Y258 HydrophobicContact CD2-CE2 3.84Å; L252-Y258 HydrophobicContact CD2-CG 4.17Å; L252-Y258 HydrophobicContact CG-CD2 4.45Å; L252-Y258 HydrophobicContact CG-CE2 4.21Å
253	Q	89.9	Confident	90.2	Very high	107 Å²	107	44.3 Å²	44.3	50%	0.5	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-77	140.1	175.7	-62.7	-54	-52.1	0	0	109.3	C174 S251 T256 Y258	C174-Q253 WeakPolarHBondContact CB-O 3.23Å; C174-Q253 PolarHBondContact SG-O 3.36Å; S251-Q253 PolarHBondContact O-NE2 2.93Å; Q253-T256 WeakPolarHBondContact CB-OG1 3.48Å; Q253-T256 WeakPolarHBondContact O-CB 3.32Å; Q253-Y258 WeakPolarHBondContact CB-OH 3.22Å; Q253-Y258 PolarHBondContact N-OH 2.04Å
254	P	92.1	Very high	90.1	Very high	47 Å²	47	47.1 Å²	47.1	31%	0.305	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	147.3	177.4	30.9	-32.8	0	0	0	109.9	C174 T256	C174-P254 CarbonylContact O-C 3.6Å; P254-T256 VanDerWaalsContact C-N 3.25Å; P254-T256 PolarHBondContact O-N 2.89Å
255	F	89.9	Confident	90.2	Very high	152 Å²	152	46 Å²	46	67%	0.667	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	26	-177.9	-43.2	-81.9	0	0	0	114.3	Y173 C174	Y173-F255 VanDerWaalsContact OH-CD1 3.23Å; Y173-F255 WeakPolarHBondContact OH-CD1 3.14Å; C174-F255 WeakPolarHBondContact O-CA 3.46Å; C174-F255 PolarHBondContact O-N 2.96Å
256	T	90.9	Very high	90.4	Very high	49 Å²	49	48.8 Å²	48.8	30%	0.301	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.2	-177.5	-55.1	0	0	0	0	111.7	C174 Q253 P254 Y258	C174-T256 PolarHBondContact N-O 2.99Å; Q253-T256 WeakPolarHBondContact CB-OG1 3.48Å; Q253-T256 WeakPolarHBondContact O-CB 3.32Å; P254-T256 VanDerWaalsContact C-N 3.25Å; P254-T256 PolarHBondContact O-N 2.89Å; T256-Y258 HydrophobicContact CG2-CD2 4.41Å; T256-Y258 HydrophobicContact CG2-CE1 4.21Å; T256-Y258 HydrophobicContact CG2-CE2 3.71Å
257	Y	91.7	Very high	90.5	Very high	100 Å²	100	49.6 Å²	49.6	39%	0.392	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	142.7	172.6	-71.4	-87.9	0	0	0	111.9	K171 I172 Y173 D222	K171-Y257 HydrophobicContact CD-CD1 4.26Å; K171-Y257 HydrophobicContact CG-CD1 4.03Å; I172-Y257 CarbonylContact O-C 3.53Å; I172-Y257 VanDerWaalsContact O-CA 3.31Å; I172-Y257 WeakPolarHBondContact O-CA 3.3Å; Y173-Y257 HydrophobicContact CD2-CD1 4.13Å; Y173-Y257 HydrophobicContact CD2-CD2 4.05Å; Y173-Y257 AromaticContact CD2-CE1 3.85Å; Y173-Y257 HydrophobicContact CD2-CE1 3.85Å; Y173-Y257 AromaticContact CD2-CE2 3.72Å; Y173-Y257 HydrophobicContact CD2-CE2 3.72Å; Y173-Y257 HydrophobicContact CD2-CG 4.25Å; Y173-Y257 AromaticContact CD2-CZ 3.61Å; Y173-Y257 HydrophobicContact CE2-CE2 4.15Å; Y173-Y257 HydrophobicContact CG-CE1 4.14Å; D222-Y257 WeakPolarHBondContact CB-O 3.03Å; D222-Y257 PolarHBondContact N-O 2.93Å
258	Y	91.6	Very high	90.6	Very high	7 Å²	7	50.2 Å²	50.2	3%	0.027	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	163.2	175.3	-59.7	-86.6	0	0	0	110.1	K171 I172 C174 I219 L220 N221 I230 L252 Q253 T256	K171-Y258 CarbonylContact C-O 3.58Å; K171-Y258 WeakPolarHBondContact CA-O 3.3Å; I172-Y258 WeakPolarHBondContact CG1-O 3.25Å; I172-Y258 PolarHBondContact N-O 3.26Å; I172-Y258 PolarHBondContact O-N 2.85Å; C174-Y258 HydrophobicContact CB-CD2 4.38Å; C174-Y258 HydrophobicContact CB-CE2 4.09Å; I219-Y258 HydrophobicContact CG2-CD1 4.18Å; I219-Y258 HydrophobicContact CG2-CG 4.29Å; L220-Y258 CarbonylContact O-C 3.49Å; L220-Y258 VanDerWaalsContact O-CA 3.26Å; L220-Y258 WeakPolarHBondContact O-CA 3.48Å; L220-Y258 WeakPolarHBondContact O-CB 3.08Å; N221-Y258 WeakPolarHBondContact OD1-CE1 3.28Å; I230-Y258 HydrophobicContact CD1-CD1 3.8Å; I230-Y258 HydrophobicContact CD1-CE1 3.44Å; I230-Y258 VanDerWaalsContact CD1-CE1 3.44Å; L252-Y258 HydrophobicContact CB-CD2 4.47Å; L252-Y258 HydrophobicContact CB-CE2 3.8Å; L252-Y258 HydrophobicContact CD1-CD2 4.24Å; L252-Y258 HydrophobicContact CD1-CE2 4.39Å; L252-Y258 HydrophobicContact CD2-CD1 4.23Å; L252-Y258 HydrophobicContact CD2-CD2 3.98Å; L252-Y258 HydrophobicContact CD2-CE1 4.11Å; L252-Y258 HydrophobicContact CD2-CE2 3.84Å; L252-Y258 HydrophobicContact CD2-CG 4.17Å; L252-Y258 HydrophobicContact CG-CD2 4.45Å; L252-Y258 HydrophobicContact CG-CE2 4.21Å; Q253-Y258 WeakPolarHBondContact CB-OH 3.22Å; Q253-Y258 PolarHBondContact N-OH 2.04Å; T256-Y258 HydrophobicContact CG2-CD2 4.41Å; T256-Y258 HydrophobicContact CG2-CE1 4.21Å; T256-Y258 HydrophobicContact CG2-CE2 3.71Å
259	K	91.1	Very high	90.6	Very high	72 Å²	72	50.4 Å²	50.4	31%	0.313	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.3	169.9	-66.9	173.4	-178.6	161.4	0	109.2	T169 I170 I219 L220 D222	T169-K259 HydrophobicContact CG2-CB 4.23Å; I170-K259 CarbonylContact O-C 3.56Å; I170-K259 WeakPolarHBondContact O-CA 3.36Å; I219-K259 CarbonylContact C-O 3.39Å; I219-K259 VanDerWaalsContact CA-O 3.27Å; I219-K259 WeakPolarHBondContact CA-O 3.14Å; L220-K259 HydrophobicContact CB-CB 4.29Å; L220-K259 PolarHBondContact N-O 3.01Å; L220-K259 PolarHBondContact O-N 3.08Å; D222-K259 PolarHBondContact O-NZ 3.28Å; D222-K259 WeakPolarHBondContact OD1-CE 3.45Å; D222-K259 IonicContact OD1-NZ 3.53Å
260	L	92.1	Very high	90.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.5	170.9	171.9	64	0	0	0	108.7	I170 I172 F181 V183 I217 S218 I219 I246 F262 W307	I170-L260 HydrophobicContact CB-CB 4.47Å; I170-L260 HydrophobicContact CD1-CD2 4.46Å; I170-L260 PolarHBondContact N-O 3.4Å; I170-L260 PolarHBondContact O-N 3.46Å; I172-L260 HydrophobicContact CD1-CB 4.1Å; I172-L260 HydrophobicContact CG2-CB 4.4Å; F181-L260 HydrophobicContact CE2-CD2 3.69Å; F181-L260 HydrophobicContact CZ-CD1 4.41Å; F181-L260 HydrophobicContact CZ-CD2 3.94Å; V183-L260 HydrophobicContact CG2-CD2 4.12Å; I217-L260 HydrophobicContact CG2-CD1 3.76Å; S218-L260 CarbonylContact O-C 3.49Å; S218-L260 WeakPolarHBondContact O-CA 3.43Å; I219-L260 HydrophobicContact CD1-CD1 4.28Å; I219-L260 HydrophobicContact CG1-CD1 3.68Å; I246-L260 HydrophobicContact CD1-CD1 4.42Å; I246-L260 HydrophobicContact CD1-CD2 4.31Å; L260-F262 HydrophobicContact CD1-CE2 4.24Å; L260-F262 HydrophobicContact CD2-CE2 3.6Å; L260-F262 HydrophobicContact CD2-CZ 4.14Å; L260-F262 HydrophobicContact CG-CD2 4.26Å; L260-F262 HydrophobicContact CG-CE2 3.73Å; L260-F262 HydrophobicContact CG-CZ 4.45Å; L260-W307 HydrophobicContact CD2-CH2 4.28Å; L260-W307 HydrophobicContact CD2-CZ3 4.42Å
261	A	89.8	Confident	90.1	Very high	14 Å²	14	47.7 Å²	47.7	12%	0.116	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.6	176.7	0	0	0	0	0	110.5	V168 I217 S218	V168-A261 WeakPolarHBondContact O-CA 3.35Å; I217-A261 VanDerWaalsContact CA-O 3.24Å; I217-A261 WeakPolarHBondContact CA-O 3.46Å; S218-A261 PolarHBondContact N-O 3.48Å; S218-A261 VanDerWaalsContact N-O 3.14Å; S218-A261 PolarHBondContact O-N 2.81Å
262	F	89.6	Confident	89.6	Confident	2 Å²	2	48 Å²	48	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	99.7	160	-66.1	-96.1	0	0	0	106.8	S167 V168 I170 V183 I191 I217 I246 L260 Q264 F265 P305	S167-F262 WeakPolarHBondContact CA-O 3.31Å; V168-F262 HydrophobicContact CG1-CB 4Å; V168-F262 HydrophobicContact CG1-CD2 3.96Å; V168-F262 HydrophobicContact CG1-CG 4.38Å; V168-F262 PolarHBondContact N-O 3.44Å; V168-F262 PolarHBondContact O-N 3.49Å; I170-F262 HydrophobicContact CD1-CD2 4.29Å; I170-F262 HydrophobicContact CD1-CE2 4.12Å; V183-F262 HydrophobicContact CB-CZ 4.46Å; V183-F262 HydrophobicContact CG1-CE2 4.38Å; V183-F262 HydrophobicContact CG1-CZ 4.2Å; V183-F262 HydrophobicContact CG2-CZ 4.43Å; I191-F262 HydrophobicContact CG2-CD1 3.98Å; I217-F262 HydrophobicContact CD1-CD1 3.69Å; I217-F262 HydrophobicContact CD1-CE1 3.6Å; I217-F262 HydrophobicContact CG1-CD1 3.71Å; I217-F262 HydrophobicContact CG1-CE1 4.03Å; I217-F262 HydrophobicContact CG2-CD1 4.49Å; I217-F262 HydrophobicContact CG2-CE1 4.32Å; I246-F262 HydrophobicContact CD1-CZ 4.1Å; L260-F262 HydrophobicContact CD1-CE2 4.24Å; L260-F262 HydrophobicContact CD2-CE2 3.6Å; L260-F262 HydrophobicContact CD2-CZ 4.14Å; L260-F262 HydrophobicContact CG-CD2 4.26Å; L260-F262 HydrophobicContact CG-CE2 3.73Å; L260-F262 HydrophobicContact CG-CZ 4.45Å; F262-Q264 PolarHBondContact O-N 2.81Å; F262-F265 HydrophobicContact CB-CD1 4.41Å; F262-P305 HydrophobicContact CB-CG 4.35Å; F262-P305 HydrophobicContact CD1-CB 4.03Å; F262-P305 HydrophobicContact CD1-CG 3.72Å; F262-P305 HydrophobicContact CD2-CB 3.95Å; F262-P305 HydrophobicContact CD2-CG 4.19Å; F262-P305 HydrophobicContact CE1-CB 3.82Å; F262-P305 HydrophobicContact CE1-CG 3.96Å; F262-P305 HydrophobicContact CE2-CB 3.73Å; F262-P305 HydrophobicContact CE2-CG 4.4Å; F262-P305 HydrophobicContact CG-CB 4.09Å; F262-P305 HydrophobicContact CG-CG 3.84Å; F262-P305 HydrophobicContact CZ-CB 3.66Å; F262-P305 HydrophobicContact CZ-CG 4.29Å
263	G	83.5	Confident	89.5	Confident	16 Å²	16	49.4 Å²	49.4	17%	0.165	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-30.4	-168.1	0	0	0	0	0	114.2	S167 Y215	S167-G263 WeakPolarHBondContact CB-O 3.36Å; Y215-G263 VanDerWaalsContact CD1-C 3.44Å; Y215-G263 WeakPolarHBondContact CD1-O 3.38Å; Y215-G263 WeakPolarHBondContact CE1-O 3.35Å
264	Q	88.2	Confident	89.5	Confident	73 Å²	73	46.2 Å²	46.2	34%	0.341	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	133	176.7	-168.7	175.6	16.7	0	0	112.4	G166 S192 Y215 F262	G166-Q264 CarbonylContact O-C 3.58Å; G166-Q264 WeakPolarHBondContact O-CA 3.48Å; S192-Q264 PolarHBondContact N-O 3.2Å; Y215-Q264 HydrophobicContact CD1-CB 4.41Å; Y215-Q264 HydrophobicContact CD2-CB 3.75Å; Y215-Q264 HydrophobicContact CD2-CG 4.38Å; Y215-Q264 VanDerWaalsContact CD2-OE1 3.23Å; Y215-Q264 HydrophobicContact CE2-CB 4.29Å; Y215-Q264 HydrophobicContact CG-CB 3.74Å; F262-Q264 PolarHBondContact O-N 2.81Å
265	F	93.1	Very high	89.7	Confident	1 Å²	1	44 Å²	44	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	159.1	165.6	52.4	-99.3	0	0	0	110.8	L148 L150 N165 G166 V168 L189 N190 I191 F262 V303 F304 P305	L148-F265 HydrophobicContact CD1-CZ 4.08Å; L150-F265 HydrophobicContact CD2-CE2 3.87Å; L150-F265 HydrophobicContact CD2-CZ 4.17Å; N165-F265 CarbonylContact C-O 3.6Å; N165-F265 WeakPolarHBondContact CA-O 3.45Å; G166-F265 VanDerWaalsContact C-CZ 3.44Å; G166-F265 VanDerWaalsContact CA-CE2 3.43Å; G166-F265 PolarHBondContact N-O 2.82Å; G166-F265 PolarHBondContact O-N 3.24Å; V168-F265 HydrophobicContact CB-CE1 4.21Å; V168-F265 HydrophobicContact CG1-CE1 3.98Å; L189-F265 HydrophobicContact CD1-CB 4.16Å; L189-F265 HydrophobicContact CD1-CD2 3.76Å; L189-F265 HydrophobicContact CD1-CG 4.25Å; L189-F265 HydrophobicContact CG-CB 4.21Å; L189-F265 HydrophobicContact CG-CD2 4.48Å; N190-F265 CarbonylContact O-C 3.55Å; N190-F265 WeakPolarHBondContact O-CA 3.5Å; I191-F265 HydrophobicContact CG1-CB 4.09Å; F262-F265 HydrophobicContact CB-CD1 4.41Å; F265-V303 WeakPolarHBondContact CD2-O 3.38Å; F265-V303 WeakPolarHBondContact CE2-O 3.35Å; F265-F304 HydrophobicContact CE1-CB 4Å; F265-F304 HydrophobicContact CE2-CB 3.95Å; F265-F304 HydrophobicContact CZ-CB 3.45Å; F265-F304 VanDerWaalsContact CZ-CB 3.45Å; F265-P305 HydrophobicContact CD1-CG 4.43Å
266	R	94.3	Very high	90	Very high	109 Å²	109	37 Å²	37	41%	0.411	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146	-178.1	178.9	175.9	-177.8	137.8	-6.4	111.1	F163 F164 N165 N190	F163-R266 HydrophobicContact CD2-CG 4.24Å; F163-R266 VanDerWaalsContact CD2-NE 3.34Å; F163-R266 VanDerWaalsContact CD2-NH2 3.26Å; F164-R266 WeakPolarHBondContact O-CA 3.26Å; F164-R266 WeakPolarHBondContact O-CG 3.29Å; N165-R266 VanDerWaalsContact OD1-CD 3.24Å; N165-R266 WeakPolarHBondContact OD1-CD 3.23Å; N165-R266 VanDerWaalsContact OD1-CG 3.23Å; N165-R266 WeakPolarHBondContact OD1-CG 3.44Å; N190-R266 WeakPolarHBondContact CB-O 3.31Å; N190-R266 PolarHBondContact N-O 2.92Å; N190-R266 PolarHBondContact O-N 2.79Å
267	S	94.2	Very high	90.2	Very high	17 Å²	17	34.6 Å²	34.6	12%	0.119	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	156.2	170	-172.3	0	0	0	0	111.2	F163 F164	F163-S267 WeakPolarHBondContact CA-O 3.46Å; F163-S267 VanDerWaalsContact CB-O 3.32Å; F163-S267 WeakPolarHBondContact CB-O 3.28Å; F164-S267 PolarHBondContact N-O 3.02Å; F164-S267 PolarHBondContact O-N 3.21Å
268	A	91.9	Very high	90.3	Very high	61 Å²	61	30.7 Å²	30.7	50%	0.504	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	143.3	172	0	0	0	0	0	110.4	N270	A268-N270 PolarHBondContact O-N 3.25Å; A268-N270 VanDerWaalsContact O-N 3.16Å
269	L	91.5	Very high	90.4	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.031	16%	0.161	C	C	.	.			trans	-86.5	85.1	175.5	-162.1	78.5	0	0	0	108.1	V152 L154 F162 F164 W276 L278 A291	V152-L269 HydrophobicContact CG2-CD1 4.44Å; V152-L269 HydrophobicContact CG2-CD2 4.06Å; L154-L269 HydrophobicContact CD2-CD2 3.52Å; F162-L269 HydrophobicContact CB-CB 4.1Å; F162-L269 HydrophobicContact CB-CD2 4.4Å; F162-L269 PolarHBondContact O-N 3.34Å; F164-L269 HydrophobicContact CD1-CD1 4.03Å; L269-W276 HydrophobicContact CD1-CD2 4.41Å; L269-W276 HydrophobicContact CD1-CG 4.25Å; L269-W276 WeakPolarHBondContact CD1-O 3.44Å; L269-L278 HydrophobicContact CB-CB 4.5Å; L269-L278 HydrophobicContact CD2-CB 3.8Å; L269-L278 HydrophobicContact CD2-CD1 3.95Å; L269-L278 HydrophobicContact CD2-CG 4.43Å; L269-L278 HydrophobicContact CG-CB 3.87Å; L269-L278 WeakPolarHBondContact O-CB 3.5Å; L269-A291 HydrophobicContact CD1-CB 4.14Å; L269-A291 HydrophobicContact CD2-CB 3.84Å
270	N	84.2	Confident	90.3	Very high	33 Å²	33	31.9 Å²	31.9	18%	0.176	17%	0.167	C	C	.	.			trans	-78.2	176.2	-173.9	65.3	64.9	0	0	0	112.6	A268 E272 Y277 L278	A268-N270 PolarHBondContact O-N 3.25Å; A268-N270 VanDerWaalsContact O-N 3.16Å; N270-E272 HydrophobicContact CB-CG 4.17Å; N270-E272 WeakPolarHBondContact OD1-CB 3.48Å; N270-E272 WeakPolarHBondContact OD1-CG 3.32Å; N270-E272 PolarHBondContact OD1-N 3.32Å; N270-Y277 CarbonylContact O-C 3.53Å; N270-Y277 WeakPolarHBondContact O-CA 3.35Å; N270-Y277 VanDerWaalsContact O-CB 3.32Å; N270-Y277 WeakPolarHBondContact O-CB 3.16Å; N270-L278 PolarHBondContact O-N 3.23Å
271	D	80.7	Confident	90.2	Very high	101 Å²	101	32.4 Å²	32.4	54%	0.54	17%	0.169	S	C	.	.	S	Bend	trans	-107.4	26	178.4	65.8	-1.7	0	0	0	113	L273 K990	D271-L273 VanDerWaalsContact C-N 3.31Å; D271-L273 PolarHBondContact O-N 3.04Å; D271-K990 IonicContact OD1-NZ 3.83Å; D271-K990 PolarHBondContact OD1-NZ 2.83Å
272	E	80.8	Confident	90	Very high	41 Å²	41	35.9 Å²	35.9	19%	0.192	19%	0.185	C	C	.	.	S	Bend	trans	-86.9	-0.2	-173.2	-58.9	172.5	-173.7	0	0	113.8	R188 N270 K274	R188-E272 IonicContact CZ-OE1 3.03Å; R188-E272 IonicContact CZ-OE2 3.24Å; R188-E272 IonicContact NH1-OE1 3.18Å; R188-E272 PolarHBondContact NH1-OE1 3.44Å; R188-E272 IonicContact NH1-OE2 3.15Å; R188-E272 VanDerWaalsContact NH2-CD 3.33Å; R188-E272 IonicContact NH2-OE1 2.84Å; R188-E272 PolarHBondContact NH2-OE1 3Å; R188-E272 IonicContact NH2-OE2 2.68Å; R188-E272 PolarHBondContact NH2-OE2 3.22Å; N270-E272 HydrophobicContact CB-CG 4.17Å; N270-E272 WeakPolarHBondContact OD1-CB 3.48Å; N270-E272 WeakPolarHBondContact OD1-CG 3.32Å; N270-E272 PolarHBondContact OD1-N 3.32Å; E272-K274 PolarHBondContact O-N 3.37Å
273	L	89	Confident	89.8	Confident	30 Å²	30	37.3 Å²	37.3	16%	0.157	19%	0.192	C	C	.	.	S	Bend	trans	61	25.6	179.8	-46.2	179.3	0	0	0	114	D271 Y277 Q294 D426 A428	D271-L273 VanDerWaalsContact C-N 3.31Å; D271-L273 PolarHBondContact O-N 3.04Å; L273-Y277 HydrophobicContact CB-CE2 4.28Å; L273-Y277 HydrophobicContact CD2-CD2 3.84Å; L273-Y277 HydrophobicContact CD2-CE2 3.36Å; L273-Y277 HydrophobicContact CG-CE2 4.42Å; L273-Q294 WeakPolarHBondContact O-CB 3.38Å; L273-D426 HydrophobicContact CD2-CB 3.67Å; L273-A428 HydrophobicContact CB-CB 3.77Å; L273-A428 HydrophobicContact CD1-CB 4.06Å
274	K	90.3	Very high	89.8	Confident	39 Å²	39	44 Å²	44	17%	0.17	22%	0.224	C	C	.	.	S	Bend	trans	-134.3	151.3	-179.9	-66.1	172.3	-170.1	156	0	110.8	E272 D984	E272-K274 PolarHBondContact O-N 3.37Å; K274-D984 IonicContact NZ-OD2 3.91Å; K274-D984 PolarHBondContact NZ-OD2 3.3Å
275	G	95.1	Very high	89.6	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.9	-138	-175.4	0	0	0	0	0	110.9	S293 Q294	G275-S293 CarbonylContact O-C 3.58Å; G275-S293 WeakPolarHBondContact O-CA 3.36Å; G275-Q294 PolarHBondContact N-O 3.04Å; G275-Q294 PolarHBondContact O-N 3.44Å
276	W	96.7	Very high	89.3	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.3	169.5	-165	26	0	0	0	108.4	L150 V152 F164 L269 A291 V303 V364	L150-W276 HydrophobicContact CB-CH2 3.93Å; L150-W276 HydrophobicContact CB-CZ3 3.68Å; L150-W276 HydrophobicContact CD1-CE3 4.29Å; L150-W276 HydrophobicContact CD1-CZ3 4.12Å; L150-W276 HydrophobicContact CD2-CZ3 4.41Å; L150-W276 HydrophobicContact CG-CZ3 4.29Å; V152-W276 HydrophobicContact CB-CH2 3.5Å; V152-W276 HydrophobicContact CB-CZ2 3.7Å; V152-W276 HydrophobicContact CB-CZ3 4.18Å; V152-W276 HydrophobicContact CG1-CH2 4.27Å; V152-W276 HydrophobicContact CG1-CZ2 4.21Å; V152-W276 HydrophobicContact CG2-CH2 4.27Å; V152-W276 HydrophobicContact CG2-CZ2 4.18Å; F164-W276 HydrophobicContact CB-CE3 3.56Å; F164-W276 HydrophobicContact CB-CH2 4.41Å; F164-W276 HydrophobicContact CB-CZ3 3.4Å; F164-W276 VanDerWaalsContact CB-CZ3 3.4Å; F164-W276 HydrophobicContact CD1-CB 4.49Å; F164-W276 HydrophobicContact CD1-CD2 4.44Å; F164-W276 AromaticContact CD1-CE3 3.73Å; F164-W276 HydrophobicContact CD1-CE3 3.73Å; F164-W276 HydrophobicContact CD1-CZ3 4.47Å; F164-W276 AromaticContact CD2-CE3 3.74Å; F164-W276 HydrophobicContact CD2-CE3 3.74Å; F164-W276 HydrophobicContact CD2-CZ3 4Å; F164-W276 HydrophobicContact CE1-CB 4.21Å; F164-W276 HydrophobicContact CE1-CE3 4.33Å; F164-W276 HydrophobicContact CE2-CE3 4.36Å; F164-W276 HydrophobicContact CG-CD2 4.47Å; F164-W276 AromaticContact CG-CE3 3.39Å; F164-W276 HydrophobicContact CG-CE3 3.39Å; F164-W276 AromaticContact CG-CZ3 3.73Å; F164-W276 HydrophobicContact CG-CZ3 3.73Å; L269-W276 HydrophobicContact CD1-CD2 4.41Å; L269-W276 HydrophobicContact CD1-CG 4.25Å; L269-W276 WeakPolarHBondContact CD1-O 3.44Å; W276-A291 HydrophobicContact CZ2-CB 4.29Å; W276-V303 HydrophobicContact CB-CG1 4.28Å; W276-V303 HydrophobicContact CB-CG2 3.87Å; W276-V303 VanDerWaalsContact N-CG2 3.32Å; W276-V364 HydrophobicContact CZ2-CG2 3.99Å
277	Y	94.9	Very high	89	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	163.7	-165.3	69.2	-93.7	0	0	0	112.1	N270 L273 A291 T292 Q294 D426 F427	N270-Y277 CarbonylContact O-C 3.53Å; N270-Y277 WeakPolarHBondContact O-CA 3.35Å; N270-Y277 VanDerWaalsContact O-CB 3.32Å; N270-Y277 WeakPolarHBondContact O-CB 3.16Å; L273-Y277 HydrophobicContact CB-CE2 4.28Å; L273-Y277 HydrophobicContact CD2-CD2 3.84Å; L273-Y277 HydrophobicContact CD2-CE2 3.36Å; L273-Y277 HydrophobicContact CG-CE2 4.42Å; Y277-A291 WeakPolarHBondContact O-CA 3.13Å; Y277-T292 VanDerWaalsContact CD1-O 3.23Å; Y277-T292 WeakPolarHBondContact CD1-O 3.43Å; Y277-T292 HydrophobicContact CD2-CG2 4.08Å; Y277-T292 HydrophobicContact CE1-CG2 3.96Å; Y277-T292 HydrophobicContact CE2-CG2 3.4Å; Y277-T292 VanDerWaalsContact CE2-CG2 3.4Å; Y277-T292 PolarHBondContact N-O 3.26Å; Y277-T292 PolarHBondContact O-N 3.33Å; Y277-T292 WeakPolarHBondContact OH-CG2 3.33Å; Y277-Q294 HydrophobicContact CE1-CB 3.97Å; Y277-D426 PolarHBondContact OH-O 2.8Å; Y277-D426 VanDerWaalsContact OH-O 3.06Å; Y277-F427 WeakPolarHBondContact OH-CD2 3.25Å
278	L	94.5	Very high	88.9	Confident	17 Å²	17	50.3 Å²	50.3	9%	0.089	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.2	-178.9	179.6	60.8	0	0	0	109.9	L154 P159 F162 L269 N270 Y289	L154-L278 HydrophobicContact CD2-CD1 3.95Å; P159-L278 HydrophobicContact CB-CD2 3.85Å; F162-L278 HydrophobicContact CD2-CD1 3.74Å; F162-L278 HydrophobicContact CD2-CD2 3.7Å; F162-L278 HydrophobicContact CD2-CG 4.38Å; F162-L278 HydrophobicContact CE2-CD1 4.18Å; F162-L278 HydrophobicContact CE2-CD2 4.3Å; L269-L278 HydrophobicContact CB-CB 4.5Å; L269-L278 HydrophobicContact CD2-CB 3.8Å; L269-L278 HydrophobicContact CD2-CD1 3.95Å; L269-L278 HydrophobicContact CD2-CG 4.43Å; L269-L278 HydrophobicContact CG-CB 3.87Å; L269-L278 WeakPolarHBondContact O-CB 3.5Å; N270-L278 PolarHBondContact O-N 3.23Å; L278-Y289 HydrophobicContact CD1-CD1 3.97Å; L278-Y289 HydrophobicContact CD1-CG 4.39Å
279	S	92.4	Very high	89	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	163.4	164.2	174.9	0	0	0	0	109.4	L290 D426	S279-L290 PolarHBondContact N-O 2.78Å; S279-L290 WeakPolarHBondContact O-CD2 3.45Å; S279-L290 PolarHBondContact O-N 3.15Å; S279-L290 VanDerWaalsContact O-O 3.14Å; S279-D426 WeakPolarHBondContact CB-OD2 3.5Å; S279-D426 PolarHBondContact OG-OD2 2.89Å
280	K	90.4	Very high	89.2	Confident	103 Å²	103	49.2 Å²	49.2	45%	0.448	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.6	-176.6	65.9	-172.5	174.8	-169.4	0	111.9	Y287 K288 Y289	K280-Y287 HydrophobicContact CD-CD1 4.32Å; K280-Y287 HydrophobicContact CD-CE1 4.4Å; K280-K288 CarbonylContact C-O 3.58Å; K280-K288 WeakPolarHBondContact CA-O 3.48Å; K280-K288 WeakPolarHBondContact CB-O 3.16Å; K280-Y289 HydrophobicContact CB-CD1 3.77Å; K280-Y289 HydrophobicContact CB-CE1 4Å; K280-Y289 HydrophobicContact CD-CE1 4.24Å
281	Y	88.8	Confident	89.8	Confident	11 Å²	11	47.6 Å²	47.6	4%	0.043	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	168.8	173.7	60.9	-83.5	0	0	0	110.3	E283 Y287 K288 L290 F367 R385 P425	Y281-E283 HydrophobicContact CD2-CB 4.19Å; Y281-E283 HydrophobicContact CE2-CB 3.92Å; Y281-Y287 WeakPolarHBondContact O-CA 3.46Å; Y281-K288 HydrophobicContact CD1-CB 3.9Å; Y281-K288 HydrophobicContact CD2-CB 3.84Å; Y281-K288 HydrophobicContact CD2-CG 4.24Å; Y281-K288 HydrophobicContact CE1-CB 3.5Å; Y281-K288 VanDerWaalsContact CE1-CB 3.5Å; Y281-K288 HydrophobicContact CE2-CB 3.49Å; Y281-K288 VanDerWaalsContact CE2-CB 3.49Å; Y281-K288 HydrophobicContact CE2-CG 3.7Å; Y281-K288 HydrophobicContact CG-CB 4.06Å; Y281-K288 PolarHBondContact N-O 2.85Å; Y281-K288 PolarHBondContact O-N 3.03Å; Y281-L290 HydrophobicContact CD1-CD2 3.73Å; Y281-L290 HydrophobicContact CE1-CD2 3.96Å; Y281-F367 HydrophobicContact CD1-CE1 4.19Å; Y281-F367 HydrophobicContact CE1-CD1 4.24Å; Y281-F367 AromaticContact CE1-CE1 3.59Å; Y281-F367 HydrophobicContact CE1-CE1 3.59Å; Y281-F367 AromaticContact CZ-CE1 3.99Å; Y281-R385 HydrophobicContact CD1-CG 4.33Å; Y281-R385 HydrophobicContact CD2-CG 3.91Å; Y281-R385 HydrophobicContact CE1-CG 4.35Å; Y281-R385 HydrophobicContact CE2-CB 4.36Å; Y281-R385 HydrophobicContact CE2-CG 3.86Å; Y281-R385 HydrophobicContact CG-CG 4.12Å; Y281-P425 HydrophobicContact CD1-CG 4.29Å
282	I	85.6	Confident	90.6	Very high	87 Å²	87	42.8 Å²	42.8	45%	0.446	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.1	174.3	-60.7	174.7	0	0	0	108.4	T286 Y287	I282-T286 WeakPolarHBondContact CA-O 3.42Å; I282-Y287 HydrophobicContact CD1-CE1 3.96Å; I282-Y287 HydrophobicContact CG1-CD1 3.84Å; I282-Y287 HydrophobicContact CG1-CE1 3.66Å
283	E	85.2	Confident	91.4	Very high	32 Å²	32	40.9 Å²	40.9	15%	0.15	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	125.1	172.1	-171.7	-178.7	-110.6	0	0	107.9	Y281 G285 T286 K288 S386	Y281-E283 HydrophobicContact CD2-CB 4.19Å; Y281-E283 HydrophobicContact CE2-CB 3.92Å; E283-G285 PolarHBondContact O-N 3.03Å; E283-T286 PolarHBondContact N-O 2.66Å; E283-T286 PolarHBondContact O-N 2.88Å; E283-T286 PolarHBondContact O-OG1 2.87Å; E283-K288 HydrophobicContact CB-CG 3.83Å; E283-K288 VanDerWaalsContact OE2-CE 3.28Å; E283-K288 WeakPolarHBondContact OE2-CE 3.42Å; E283-S386 PolarHBondContact OE1-OG 3.01Å
284	N	85.2	Confident	91.8	Very high	156 Å²	156	40 Å²	40	83%	0.834	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	39.8	-177.7	-57.9	-40.4	0	0	0	113.6	T286	N284-T286 PolarHBondContact O-N 3.46Å
285	G	82.6	Confident	92.1	Very high	71 Å²	71	38.1 Å²	38.1	73%	0.732	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	4.4	-179.3	0	0	0	0	0	115.3	E283	E283-G285 PolarHBondContact O-N 3.03Å
286	T	87.2	Confident	92.1	Very high	78 Å²	78	39 Å²	39	48%	0.479	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141.8	178.3	63.2	0	0	0	0	111.4	I282 E283 N284 K288	I282-T286 WeakPolarHBondContact CA-O 3.42Å; E283-T286 PolarHBondContact N-O 2.66Å; E283-T286 PolarHBondContact O-N 2.88Å; E283-T286 PolarHBondContact O-OG1 2.87Å; N284-T286 PolarHBondContact O-N 3.46Å; T286-K288 PolarHBondContact O-N 3.4Å
287	Y	87.9	Confident	91.9	Very high	137 Å²	137	39 Å²	39	54%	0.537	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131.1	172	-77.7	-72.4	0	0	0	110.6	K280 Y281 I282	K280-Y287 HydrophobicContact CD-CD1 4.32Å; K280-Y287 HydrophobicContact CD-CE1 4.4Å; Y281-Y287 WeakPolarHBondContact O-CA 3.46Å; I282-Y287 HydrophobicContact CD1-CE1 3.96Å; I282-Y287 HydrophobicContact CG1-CD1 3.84Å; I282-Y287 HydrophobicContact CG1-CE1 3.66Å
288	K	91.4	Very high	91.8	Very high	47 Å²	47	39.6 Å²	39.6	20%	0.204	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.4	169.7	-65.5	-64.8	-162.3	163.4	0	108.4	K280 Y281 E283 T286	K280-K288 CarbonylContact C-O 3.58Å; K280-K288 WeakPolarHBondContact CA-O 3.48Å; K280-K288 WeakPolarHBondContact CB-O 3.16Å; Y281-K288 HydrophobicContact CD1-CB 3.9Å; Y281-K288 HydrophobicContact CD2-CB 3.84Å; Y281-K288 HydrophobicContact CD2-CG 4.24Å; Y281-K288 HydrophobicContact CE1-CB 3.5Å; Y281-K288 VanDerWaalsContact CE1-CB 3.5Å; Y281-K288 HydrophobicContact CE2-CB 3.49Å; Y281-K288 VanDerWaalsContact CE2-CB 3.49Å; Y281-K288 HydrophobicContact CE2-CG 3.7Å; Y281-K288 HydrophobicContact CG-CB 4.06Å; Y281-K288 PolarHBondContact N-O 2.85Å; Y281-K288 PolarHBondContact O-N 3.03Å; E283-K288 HydrophobicContact CB-CG 3.83Å; E283-K288 VanDerWaalsContact OE2-CE 3.28Å; E283-K288 WeakPolarHBondContact OE2-CE 3.42Å; T286-K288 PolarHBondContact O-N 3.4Å
289	Y	94	Very high	91.8	Very high	43 Å²	43	39.3 Å²	39.3	17%	0.169	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	150	-178	-60.6	-76.6	0	0	0	110	P159 F162 L278 K280 Y326	P159-Y289 HydrophobicContact CB-CE1 4.18Å; P159-Y289 HydrophobicContact CG-CE1 3.55Å; P159-Y289 VanDerWaalsContact CG-OH 3.26Å; P159-Y289 WeakPolarHBondContact CG-OH 3.28Å; F162-Y289 AromaticContact CE2-CD1 3.92Å; F162-Y289 HydrophobicContact CE2-CD1 3.92Å; F162-Y289 AromaticContact CE2-CD2 3.94Å; F162-Y289 HydrophobicContact CE2-CD2 3.94Å; F162-Y289 HydrophobicContact CE2-CE1 4.36Å; F162-Y289 HydrophobicContact CE2-CE2 4.38Å; F162-Y289 AromaticContact CE2-CG 3.7Å; F162-Y289 HydrophobicContact CE2-CG 3.7Å; F162-Y289 HydrophobicContact CZ-CD2 4.17Å; F162-Y289 HydrophobicContact CZ-CE2 4.35Å; F162-Y289 HydrophobicContact CZ-CG 4.39Å; L278-Y289 HydrophobicContact CD1-CD1 3.97Å; L278-Y289 HydrophobicContact CD1-CG 4.39Å; K280-Y289 HydrophobicContact CB-CD1 3.77Å; K280-Y289 HydrophobicContact CB-CE1 4Å; K280-Y289 HydrophobicContact CD-CE1 4.24Å; Y289-Y326 WeakPolarHBondContact O-CE1 3.25Å
290	L	96.2	Very high	92.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.8	171.5	65.3	150.6	0	0	0	109.7	S279 Y281 T292 V364 F367 V424 P425	S279-L290 PolarHBondContact N-O 2.78Å; S279-L290 WeakPolarHBondContact O-CD2 3.45Å; S279-L290 PolarHBondContact O-N 3.15Å; S279-L290 VanDerWaalsContact O-O 3.14Å; Y281-L290 HydrophobicContact CD1-CD2 3.73Å; Y281-L290 HydrophobicContact CE1-CD2 3.96Å; L290-T292 HydrophobicContact CD1-CG2 4.49Å; L290-V364 WeakPolarHBondContact CA-O 3.44Å; L290-V364 WeakPolarHBondContact CB-O 3.31Å; L290-F367 HydrophobicContact CD1-CE1 4.3Å; L290-F367 HydrophobicContact CD1-CE2 4.06Å; L290-F367 HydrophobicContact CD1-CZ 3.58Å; L290-F367 HydrophobicContact CD2-CE1 4.48Å; L290-F367 HydrophobicContact CD2-CZ 4.35Å; L290-V424 HydrophobicContact CD1-CB 4.46Å; L290-V424 HydrophobicContact CD1-CG1 4.13Å; L290-P425 HydrophobicContact CD2-CG 4.38Å
291	A	97.6	Very high	92.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126	168	0	0	0	0	0	108.8	V152 L154 L269 W276 Y277 V363 V364	V152-A291 HydrophobicContact CG2-CB 3.75Å; L154-A291 HydrophobicContact CD1-CB 4.49Å; L269-A291 HydrophobicContact CD1-CB 4.14Å; L269-A291 HydrophobicContact CD2-CB 3.84Å; W276-A291 HydrophobicContact CZ2-CB 4.29Å; Y277-A291 WeakPolarHBondContact O-CA 3.13Å; A291-V363 CarbonylContact O-C 3.59Å; A291-V363 VanDerWaalsContact O-CA 3.3Å; A291-V363 WeakPolarHBondContact O-CA 3.39Å; A291-V364 HydrophobicContact CB-CB 4.5Å; A291-V364 PolarHBondContact N-O 2.96Å; A291-V364 PolarHBondContact O-N 2.92Å
292	T	97.8	Very high	92.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	161.3	-179.9	-177.6	0	0	0	0	109.8	Y277 L290 V424	Y277-T292 VanDerWaalsContact CD1-O 3.23Å; Y277-T292 WeakPolarHBondContact CD1-O 3.43Å; Y277-T292 HydrophobicContact CD2-CG2 4.08Å; Y277-T292 HydrophobicContact CE1-CG2 3.96Å; Y277-T292 HydrophobicContact CE2-CG2 3.4Å; Y277-T292 VanDerWaalsContact CE2-CG2 3.4Å; Y277-T292 PolarHBondContact N-O 3.26Å; Y277-T292 PolarHBondContact O-N 3.33Å; Y277-T292 WeakPolarHBondContact OH-CG2 3.33Å; L290-T292 HydrophobicContact CD1-CG2 4.49Å; T292-V424 HydrophobicContact CG2-CG1 4.45Å
293	S	97.6	Very high	93.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.6	-172.3	59.5	0	0	0	0	113.2	G275 A361 F362 I439	G275-S293 CarbonylContact O-C 3.58Å; G275-S293 WeakPolarHBondContact O-CA 3.36Å; S293-A361 VanDerWaalsContact OG-CA 3.26Å; S293-A361 WeakPolarHBondContact OG-CA 3.39Å; S293-F362 PolarHBondContact N-O 2.86Å; S293-F362 PolarHBondContact OG-N 3.12Å; S293-F362 PolarHBondContact OG-O 3.42Å; S293-I439 WeakPolarHBondContact O-CD1 3.41Å
294	Q	96.3	Very high	93.9	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.056	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	104.8	161.5	175.8	59.4	7.2	0	0	108.4	L273 G275 Y277 D299 F427	L273-Q294 WeakPolarHBondContact O-CB 3.38Å; G275-Q294 PolarHBondContact N-O 3.04Å; G275-Q294 PolarHBondContact O-N 3.44Å; Y277-Q294 HydrophobicContact CE1-CB 3.97Å; Q294-D299 WeakPolarHBondContact O-CB 3.47Å; Q294-F427 HydrophobicContact CB-CE2 4.18Å
295	L	97.3	Very high	94.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.			trans	-103.9	-9.3	-172.2	-53	-165.6	0	0	0	113.8	D299 A300 V303 L360 F362	L295-D299 PolarHBondContact O-N 3.2Å; L295-A300 HydrophobicContact CB-CB 4.15Å; L295-A300 HydrophobicContact CD1-CB 3.97Å; L295-A300 PolarHBondContact O-N 2.9Å; L295-V303 HydrophobicContact CD2-CG2 3.69Å; L295-L360 HydrophobicContact CD1-CB 3.89Å; L295-L360 HydrophobicContact CD1-CD2 4.45Å; L295-L360 HydrophobicContact CD1-CG 4.39Å; L295-L360 WeakPolarHBondContact CD1-O 3.35Å; L295-L360 WeakPolarHBondContact CG-O 3.13Å; L295-F362 HydrophobicContact CD1-CE2 4.34Å
296	Q	95.4	Very high	95.1	Very high	19 Å²	19	19.5 Å²	19.5	9%	0.089	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	140.8	176.4	-169.2	-167.7	58.4	0	0	111.5	Y358 M432 E433 W482 F547	Q296-Y358 HydrophobicContact CB-CD2 3.94Å; Q296-Y358 HydrophobicContact CB-CG 4.5Å; Q296-Y358 HydrophobicContact CG-CD2 3.76Å; Q296-Y358 HydrophobicContact CG-CE2 4.44Å; Q296-Y358 HydrophobicContact CG-CG 4.34Å; Q296-M432 HydrophobicContact CB-CE 3.76Å; Q296-M432 HydrophobicContact CB-SD 3.65Å; Q296-M432 HydrophobicContact CG-CE 4.19Å; Q296-M432 HydrophobicContact CG-SD 4.28Å; Q296-M432 PolarHBondContact OE1-SD 3.1Å; Q296-M432 VanDerWaalsContact OE1-SD 3.41Å; Q296-E433 PolarHBondContact NE2-OE1 2.87Å; Q296-W482 HydrophobicContact CG-CH2 3.97Å; Q296-F547 HydrophobicContact CG-CZ 4.23Å
297	P	91.9	Very high	95.6	Very high	5 Å²	5	16 Å²	16	3%	0.032	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.3	-30.1	-3.1	31.1	-33.6	0	0	0	114.4	W482 I543 F547	P297-W482 HydrophobicContact CB-CD2 4.36Å; P297-W482 HydrophobicContact CB-CH2 3.91Å; P297-W482 HydrophobicContact CB-CZ2 3.54Å; P297-W482 HydrophobicContact CB-CZ3 4.44Å; P297-W482 VanDerWaalsContact O-CZ2 3.31Å; P297-W482 WeakPolarHBondContact O-CZ2 3.24Å; P297-I543 HydrophobicContact CB-CB 4.35Å; P297-I543 HydrophobicContact CB-CD1 4.26Å; P297-I543 HydrophobicContact CB-CG2 3.58Å; P297-I543 HydrophobicContact CG-CB 4.07Å; P297-I543 HydrophobicContact CG-CD1 4.31Å; P297-I543 HydrophobicContact CG-CG2 3.72Å; P297-F547 HydrophobicContact CB-CE2 4.34Å; P297-F547 HydrophobicContact CG-CE2 4.44Å
298	T	93.3	Very high	96.1	Very high	12 Å²	12	9.4 Å²	9.4	7%	0.074	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140	37.4	-170.3	59.6	0	0	0	0	111.2	R301 D308 P540 I543	T298-R301 WeakPolarHBondContact O-CD 3.49Å; T298-R301 WeakPolarHBondContact O-CG 3.49Å; T298-R301 PolarHBondContact O-NE 3.49Å; T298-R301 VanDerWaalsContact O-NE 3.08Å; T298-D308 VanDerWaalsContact CA-OD2 3.31Å; T298-D308 WeakPolarHBondContact CA-OD2 3.35Å; T298-D308 VanDerWaalsContact O-OD2 3.07Å; T298-P540 HydrophobicContact CG2-CB 4.48Å; T298-I543 HydrophobicContact CG2-CD1 3.56Å
299	D	94.3	Very high	96.3	Very high	11 Å²	11	7.3 Å²	7.3	6%	0.059	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	0.4	-175	-73.3	-49.1	0	0	0	112.9	Q294 L295 R301 R302 D308	Q294-D299 WeakPolarHBondContact O-CB 3.47Å; L295-D299 PolarHBondContact O-N 3.2Å; D299-R301 PolarHBondContact O-N 3.29Å; D299-R302 WeakPolarHBondContact O-CB 3.16Å; D299-R302 PolarHBondContact O-N 3.43Å; D299-R302 VanDerWaalsContact O-N 3.11Å; D299-R302 WeakPolarHBondContact OD1-CD 3.07Å; D299-R302 IonicContact OD1-CZ 3.79Å; D299-R302 IonicContact OD1-NE 3.02Å; D299-R302 PolarHBondContact OD1-NE 2.69Å; D299-R302 IonicContact OD1-NH2 2.78Å; D299-D308 PolarHBondContact N-OD2 3.28Å
300	A	98.2	Very high	96.4	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-63.5	-35.3	169.9	0	0	0	0	0	111.2	L295 R302 V303 F304 D308	L295-A300 HydrophobicContact CB-CB 4.15Å; L295-A300 HydrophobicContact CD1-CB 3.97Å; L295-A300 PolarHBondContact O-N 2.9Å; A300-R302 PolarHBondContact O-N 2.65Å; A300-R302 VanDerWaalsContact O-N 3.08Å; A300-V303 PolarHBondContact O-N 3.06Å; A300-F304 HydrophobicContact CB-CE1 4.39Å; A300-F304 PolarHBondContact O-N 3.12Å; A300-D308 VanDerWaalsContact CB-OD1 3.25Å; A300-D308 WeakPolarHBondContact CB-OD1 3.38Å; A300-D308 PolarHBondContact N-OD2 3.49Å
301	R	96.5	Very high	96.4	Very high	5 Å²	5	5.6 Å²	5.6	2%	0.019	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-59.2	-17.1	173.1	70.7	-171	63.6	-165	-5.6	114.1	H184 A185 H186 E242 T298 D299 V303 D308	H184-R301 HydrophobicContact CB-CB 3.73Å; H184-R301 PolarHBondContact CD2-NH1 3.49Å; H184-R301 PolarHBondContact CD2-NH2 3.06Å; H184-R301 PolarHBondContact CE1-NH2 3.5Å; H184-R301 VanDerWaalsContact CE1-NH2 3.34Å; H184-R301 PolarHBondContact ND1-NH2 2.73Å; H184-R301 PolarHBondContact NE2-NH2 2.88Å; A185-R301 WeakPolarHBondContact CA-O 3.42Å; H186-R301 HydrophobicContact CB-CG 4.46Å; H186-R301 PolarHBondContact N-O 2.87Å; E242-R301 VanDerWaalsContact OE2-CD 3.26Å; E242-R301 WeakPolarHBondContact OE2-CD 3.43Å; E242-R301 IonicContact OE2-NH1 3.59Å; E242-R301 PolarHBondContact OE2-NH1 3.37Å; T298-R301 WeakPolarHBondContact O-CD 3.49Å; T298-R301 WeakPolarHBondContact O-CG 3.49Å; T298-R301 PolarHBondContact O-NE 3.49Å; T298-R301 VanDerWaalsContact O-NE 3.08Å; D299-R301 PolarHBondContact O-N 3.29Å; R301-V303 VanDerWaalsContact C-N 3.31Å; R301-D308 HydrophobicContact CB-CB 4.06Å; R301-D308 WeakPolarHBondContact CB-OD2 3.44Å; R301-D308 WeakPolarHBondContact CG-OD2 3.43Å; R301-D308 IonicContact CZ-OD2 3.65Å; R301-D308 PolarHBondContact N-OD2 3.12Å; R301-D308 IonicContact NE-OD2 3.6Å; R301-D308 PolarHBondContact NE-OD2 2.8Å; R301-D308 PolarHBondContact NH2-O 3.38Å
302	R	95.6	Very high	96.3	Very high	41 Å²	41	6 Å²	6	16%	0.155	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-78.3	-17.6	172.9	-61.7	-177	177	-76.3	-12.6	113	H186 R188 D299 A300	H186-R302 HydrophobicContact CB-CB 4.27Å; H186-R302 HydrophobicContact CB-CG 3.81Å; H186-R302 VanDerWaalsContact CD2-CZ 3.41Å; H186-R302 PolarHBondContact CD2-NH1 2.99Å; H186-R302 PolarHBondContact CD2-NH2 2.78Å; H186-R302 PolarHBondContact CE1-NH1 2.91Å; H186-R302 VanDerWaalsContact CE1-NH1 3.28Å; H186-R302 PolarHBondContact NE2-NH1 3.25Å; H186-R302 PolarHBondContact NE2-NH2 3.39Å; R188-R302 VanDerWaalsContact NH2-NH1 3.11Å; D299-R302 WeakPolarHBondContact O-CB 3.16Å; D299-R302 PolarHBondContact O-N 3.43Å; D299-R302 VanDerWaalsContact O-N 3.11Å; D299-R302 WeakPolarHBondContact OD1-CD 3.07Å; D299-R302 IonicContact OD1-CZ 3.79Å; D299-R302 IonicContact OD1-NE 3.02Å; D299-R302 PolarHBondContact OD1-NE 2.69Å; D299-R302 IonicContact OD1-NH2 2.78Å; A300-R302 PolarHBondContact O-N 2.65Å; A300-R302 VanDerWaalsContact O-N 3.08Å
303	V	98	Very high	96.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-43.9	-173.9	-174.1	0	0	0	0	111.2	L150 F164 F265 W276 L295 A300 R301 F362	L150-V303 HydrophobicContact CD1-CG1 3.93Å; L150-V303 HydrophobicContact CD2-CG1 4.19Å; F164-V303 HydrophobicContact CE2-CG1 4.19Å; F164-V303 WeakPolarHBondContact CE2-O 3.13Å; F164-V303 HydrophobicContact CZ-CG1 4.32Å; F265-V303 WeakPolarHBondContact CD2-O 3.38Å; F265-V303 WeakPolarHBondContact CE2-O 3.35Å; W276-V303 HydrophobicContact CB-CG1 4.28Å; W276-V303 HydrophobicContact CB-CG2 3.87Å; W276-V303 VanDerWaalsContact N-CG2 3.32Å; L295-V303 HydrophobicContact CD2-CG2 3.69Å; A300-V303 PolarHBondContact O-N 3.06Å; R301-V303 VanDerWaalsContact C-N 3.31Å; V303-F362 HydrophobicContact CG1-CE2 4.36Å
304	F	97.7	Very high	96.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	-152.6	157.6	179.4	60	-78.3	0	0	0	110.8	Y146 L148 V168 F265 A300 C306 F316 L360	Y146-F304 HydrophobicContact CD1-CD2 4.46Å; Y146-F304 AromaticContact CD1-CE2 3.92Å; Y146-F304 HydrophobicContact CD1-CE2 3.92Å; Y146-F304 HydrophobicContact CE1-CE2 4.01Å; L148-F304 HydrophobicContact CD1-CB 3.83Å; L148-F304 HydrophobicContact CD1-CD1 4.11Å; L148-F304 HydrophobicContact CD1-CD2 4.23Å; L148-F304 HydrophobicContact CD1-CG 3.8Å; L148-F304 HydrophobicContact CD2-CD1 3.71Å; L148-F304 HydrophobicContact CD2-CD2 4.5Å; L148-F304 HydrophobicContact CD2-CE1 3.71Å; L148-F304 HydrophobicContact CD2-CE2 4.45Å; L148-F304 HydrophobicContact CD2-CG 4.15Å; L148-F304 HydrophobicContact CD2-CZ 4.1Å; V168-F304 HydrophobicContact CG2-CD2 4.36Å; F265-F304 HydrophobicContact CE1-CB 4Å; F265-F304 HydrophobicContact CE2-CB 3.95Å; F265-F304 HydrophobicContact CZ-CB 3.45Å; F265-F304 VanDerWaalsContact CZ-CB 3.45Å; A300-F304 HydrophobicContact CB-CE1 4.39Å; A300-F304 PolarHBondContact O-N 3.12Å; F304-C306 HydrophobicContact CD2-CB 3.75Å; F304-C306 HydrophobicContact CE2-CB 3.43Å; F304-C306 VanDerWaalsContact CE2-CB 3.43Å; F304-C306 HydrophobicContact CZ-CB 4.22Å; F304-C306 PolarHBondContact O-N 2.78Å; F304-F316 HydrophobicContact CE2-CE1 4.36Å; F304-F316 HydrophobicContact CZ-CE1 4.12Å; F304-L360 HydrophobicContact CE1-CD2 3.73Å; F304-L360 HydrophobicContact CZ-CD2 3.67Å
305	P	96.2	Very high	96.5	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.			trans	-68.1	124.6	174.6	-20	35.5	0	0	0	110.9	V183 H184 A185 L189 I191 F262 F265	V183-P305 HydrophobicContact CG1-CB 3.8Å; H184-P305 CarbonylContact O-C 3.54Å; H184-P305 VanDerWaalsContact O-CA 3.28Å; H184-P305 WeakPolarHBondContact O-CA 3.46Å; A185-P305 HydrophobicContact CB-CB 4.42Å; L189-P305 HydrophobicContact CD2-CG 4.16Å; I191-P305 HydrophobicContact CD1-CB 4.33Å; I191-P305 HydrophobicContact CD1-CG 3.47Å; I191-P305 VanDerWaalsContact CD1-CG 3.47Å; I191-P305 HydrophobicContact CG1-CG 4.12Å; F262-P305 HydrophobicContact CB-CG 4.35Å; F262-P305 HydrophobicContact CD1-CB 4.03Å; F262-P305 HydrophobicContact CD1-CG 3.72Å; F262-P305 HydrophobicContact CD2-CB 3.95Å; F262-P305 HydrophobicContact CD2-CG 4.19Å; F262-P305 HydrophobicContact CE1-CB 3.82Å; F262-P305 HydrophobicContact CE1-CG 3.96Å; F262-P305 HydrophobicContact CE2-CB 3.73Å; F262-P305 HydrophobicContact CE2-CG 4.4Å; F262-P305 HydrophobicContact CG-CB 4.09Å; F262-P305 HydrophobicContact CG-CG 3.84Å; F262-P305 HydrophobicContact CZ-CB 3.66Å; F262-P305 HydrophobicContact CZ-CG 4.29Å; F265-P305 HydrophobicContact CD1-CG 4.43Å
306	C	97.8	Very high	96.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	B	Isolated β-bridge	trans	-157.8	172.3	-175.9	60.3	0	0	0	0	114.7	Y146 V183 H184 F304 D308 T357	Y146-C306 HydrophobicContact CE1-CB 3.75Å; V183-C306 VanDerWaalsContact CG1-N 3.26Å; H184-C306 WeakPolarHBondContact CA-O 3.48Å; H184-C306 VanDerWaalsContact CB-O 3.27Å; H184-C306 WeakPolarHBondContact CB-O 3.41Å; H184-C306 PolarHBondContact N-O 2.95Å; H184-C306 PolarHBondContact O-N 2.83Å; F304-C306 HydrophobicContact CD2-CB 3.75Å; F304-C306 HydrophobicContact CE2-CB 3.43Å; F304-C306 VanDerWaalsContact CE2-CB 3.43Å; F304-C306 HydrophobicContact CZ-CB 4.22Å; F304-C306 PolarHBondContact O-N 2.78Å; C306-D308 VanDerWaalsContact C-N 3.3Å; C306-D308 PolarHBondContact O-N 3.1Å; C306-D308 VanDerWaalsContact O-N 3.12Å; C306-T357 HydrophobicContact CB-CG2 4.33Å
307	W	97.4	Very high	96.7	Very high	3 Å²	3	10.8 Å²	10.8	1%	0.011	5%	0.052	C	C	.	.			trans	-82.9	78.2	166.3	-79.6	-110.2	0	0	0	109.5	L137 V141 P143 Y146 I170 I172 F181 V183 L260 E309 F312 T357	L137-W307 HydrophobicContact CD1-CB 4.18Å; L137-W307 HydrophobicContact CD1-CG 3.92Å; V141-W307 HydrophobicContact CB-CZ2 4.19Å; V141-W307 HydrophobicContact CG1-CH2 4.14Å; V141-W307 HydrophobicContact CG1-CZ2 3.74Å; V141-W307 PolarHBondContact O-NE1 3.29Å; P143-W307 HydrophobicContact CB-CD2 4.49Å; P143-W307 HydrophobicContact CB-CE3 4.1Å; P143-W307 HydrophobicContact CG-CB 3.91Å; P143-W307 HydrophobicContact CG-CD2 4.21Å; P143-W307 HydrophobicContact CG-CE3 4.26Å; P143-W307 HydrophobicContact CG-CG 4.07Å; Y146-W307 PolarHBondContact OH-N 3.31Å; Y146-W307 VanDerWaalsContact OH-N 3.11Å; I170-W307 HydrophobicContact CD1-CZ3 4.22Å; I170-W307 HydrophobicContact CG2-CZ3 4.3Å; I172-W307 HydrophobicContact CG2-CH2 3.68Å; I172-W307 HydrophobicContact CG2-CZ3 3.83Å; F181-W307 AromaticContact CD2-CH2 3.96Å; F181-W307 HydrophobicContact CD2-CH2 3.96Å; F181-W307 AromaticContact CD2-CZ2 3.86Å; F181-W307 HydrophobicContact CD2-CZ2 3.86Å; F181-W307 AromaticContact CE2-CH2 3.95Å; F181-W307 HydrophobicContact CE2-CH2 3.95Å; F181-W307 HydrophobicContact CE2-CZ2 4.32Å; V183-W307 HydrophobicContact CG2-CE3 4.49Å; V183-W307 HydrophobicContact CG2-CH2 3.74Å; V183-W307 HydrophobicContact CG2-CZ2 4.23Å; V183-W307 HydrophobicContact CG2-CZ3 3.89Å; L260-W307 HydrophobicContact CD2-CH2 4.28Å; L260-W307 HydrophobicContact CD2-CZ3 4.42Å; W307-E309 PolarHBondContact O-N 3.13Å; W307-F312 HydrophobicContact CB-CB 3.94Å; W307-F312 HydrophobicContact CB-CD2 3.73Å; W307-F312 HydrophobicContact CB-CE2 4.47Å; W307-F312 HydrophobicContact CB-CG 3.84Å; W307-F312 AromaticContact CD1-CD1 4Å; W307-F312 AromaticContact CD1-CD2 3.83Å; W307-F312 AromaticContact CD1-CE1 3.97Å; W307-F312 AromaticContact CD1-CE2 3.84Å; W307-F312 AromaticContact CD1-CG 3.94Å; W307-F312 AromaticContact CD1-CZ 3.91Å; W307-F312 HydrophobicContact CG-CD2 4.21Å; W307-F312 HydrophobicContact CG-CG 4.24Å; W307-T357 WeakPolarHBondContact O-CG2 3.15Å
308	D	97.3	Very high	97	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.			trans	-79.9	63.6	-173.1	-162.9	21.8	0	0	0	114.1	H184 T298 D299 A300 R301 C306 T357	H184-D308 HydrophobicContact CB-CB 3.94Å; H184-D308 PolarHBondContact ND1-N 3.4Å; T298-D308 VanDerWaalsContact CA-OD2 3.31Å; T298-D308 WeakPolarHBondContact CA-OD2 3.35Å; T298-D308 VanDerWaalsContact O-OD2 3.07Å; D299-D308 PolarHBondContact N-OD2 3.28Å; A300-D308 VanDerWaalsContact CB-OD1 3.25Å; A300-D308 WeakPolarHBondContact CB-OD1 3.38Å; A300-D308 PolarHBondContact N-OD2 3.49Å; R301-D308 HydrophobicContact CB-CB 4.06Å; R301-D308 WeakPolarHBondContact CB-OD2 3.44Å; R301-D308 WeakPolarHBondContact CG-OD2 3.43Å; R301-D308 IonicContact CZ-OD2 3.65Å; R301-D308 PolarHBondContact N-OD2 3.12Å; R301-D308 IonicContact NE-OD2 3.6Å; R301-D308 PolarHBondContact NE-OD2 2.8Å; R301-D308 PolarHBondContact NH2-O 3.38Å; C306-D308 VanDerWaalsContact C-N 3.3Å; C306-D308 PolarHBondContact O-N 3.1Å; C306-D308 VanDerWaalsContact O-N 3.12Å; D308-T357 WeakPolarHBondContact CA-OG1 3.26Å; D308-T357 WeakPolarHBondContact OD1-CB 3.08Å; D308-T357 PolarHBondContact OD1-OG1 3.38Å
309	E	95.8	Very high	97.3	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.014	5%	0.051	C	C	.	.	S	Bend	trans	-140.8	147.2	175.8	-63.1	179.2	-161	0	0	110.7	R136 L137 H184 W307 G311 F312 W481	R136-E309 WeakPolarHBondContact CA-OE1 3.2Å; L137-E309 WeakPolarHBondContact CB-OE1 2.8Å; L137-E309 VanDerWaalsContact CG-OE1 3.31Å; L137-E309 WeakPolarHBondContact CG-OE1 3.39Å; L137-E309 PolarHBondContact N-OE1 2.98Å; H184-E309 IonicContact CE1-OE1 3.73Å; H184-E309 PolarHBondContact CE1-OE1 3.3Å; H184-E309 VanDerWaalsContact CE1-OE1 3.3Å; W307-E309 PolarHBondContact O-N 3.13Å; E309-G311 PolarHBondContact O-N 3.06Å; E309-F312 HydrophobicContact CB-CD2 3.78Å; E309-F312 HydrophobicContact CB-CE2 4Å; E309-F312 HydrophobicContact CG-CD2 4.44Å; E309-F312 HydrophobicContact CG-CE2 4.3Å; E309-F312 PolarHBondContact O-N 3.2Å; E309-F312 VanDerWaalsContact O-N 3.16Å; E309-F312 WeakPolarHBondContact OE2-CE2 3.44Å; E309-W481 HydrophobicContact CB-CZ3 3.76Å; E309-W481 HydrophobicContact CG-CH2 4.04Å; E309-W481 HydrophobicContact CG-CZ3 3.58Å; E309-W481 WeakPolarHBondContact OE2-CZ3 3.31Å
310	P	96.2	Very high	97.5	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.006	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-32.8	-176.2	24.2	-34.4	0	0	0	112.6	F312 S356 T478 L479 W481 W482 N586	P310-F312 PolarHBondContact O-N 2.71Å; P310-S356 PolarHBondContact O-OG 3.08Å; P310-T478 HydrophobicContact CB-CG2 4.18Å; P310-L479 HydrophobicContact CB-CD1 3.57Å; P310-L479 HydrophobicContact CG-CD1 3.51Å; P310-W481 HydrophobicContact CG-CE3 4.26Å; P310-W482 HydrophobicContact CB-CZ2 4.45Å; P310-W482 HydrophobicContact CG-CD2 4.3Å; P310-W482 HydrophobicContact CG-CZ2 4.22Å; P310-N586 PolarHBondContact O-ND2 3.36Å
311	G	95.7	Very high	97.5	Very high	6 Å²	6	10.6 Å²	10.6	6%	0.062	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.6	179.9	0	0	0	0	0	115.8	Y139 E309 N480 N586	Y139-G311 WeakPolarHBondContact OH-CA 3.5Å; Y139-G311 PolarHBondContact OH-O 2.82Å; E309-G311 PolarHBondContact O-N 3.06Å; G311-N480 PolarHBondContact N-O 2.81Å; G311-N586 PolarHBondContact O-OD1 3.22Å
312	F	97	Very high	97.5	Very high	7 Å²	7	11.5 Å²	11.5	3%	0.031	5%	0.054	C	C	.	.			trans	-105.1	116.2	173.9	-57.3	-72.8	0	0	0	110.6	L137 Y139 I142 P143 W307 E309 P310	L137-F312 HydrophobicContact CB-CE2 3.8Å; L137-F312 HydrophobicContact CB-CZ 3.9Å; L137-F312 HydrophobicContact CD1-CE2 4.3Å; Y139-F312 HydrophobicContact CD1-CD1 4.21Å; Y139-F312 AromaticContact CD1-CE1 3.56Å; Y139-F312 HydrophobicContact CD1-CE1 3.56Å; Y139-F312 HydrophobicContact CD1-CZ 4.3Å; Y139-F312 HydrophobicContact CD2-CE1 4.24Å; Y139-F312 HydrophobicContact CD2-CZ 4.19Å; Y139-F312 AromaticContact CE1-CD1 3.97Å; Y139-F312 HydrophobicContact CE1-CD1 3.97Å; Y139-F312 AromaticContact CE1-CE1 3.57Å; Y139-F312 HydrophobicContact CE1-CE1 3.57Å; Y139-F312 HydrophobicContact CE1-CZ 4.17Å; Y139-F312 HydrophobicContact CE2-CE1 4.25Å; Y139-F312 HydrophobicContact CE2-CZ 4.06Å; Y139-F312 AromaticContact CG-CE1 3.91Å; Y139-F312 HydrophobicContact CG-CE1 3.91Å; Y139-F312 HydrophobicContact CG-CZ 4.32Å; Y139-F312 AromaticContact CZ-CE1 3.94Å; I142-F312 HydrophobicContact CB-CD1 4.19Å; I142-F312 HydrophobicContact CB-CE1 4.45Å; I142-F312 HydrophobicContact CG2-CD1 3.86Å; I142-F312 HydrophobicContact CG2-CE1 3.66Å; P143-F312 HydrophobicContact CG-CB 4.05Å; W307-F312 HydrophobicContact CB-CB 3.94Å; W307-F312 HydrophobicContact CB-CD2 3.73Å; W307-F312 HydrophobicContact CB-CE2 4.47Å; W307-F312 HydrophobicContact CB-CG 3.84Å; W307-F312 AromaticContact CD1-CD1 4Å; W307-F312 AromaticContact CD1-CD2 3.83Å; W307-F312 AromaticContact CD1-CE1 3.97Å; W307-F312 AromaticContact CD1-CE2 3.84Å; W307-F312 AromaticContact CD1-CG 3.94Å; W307-F312 AromaticContact CD1-CZ 3.91Å; W307-F312 HydrophobicContact CG-CD2 4.21Å; W307-F312 HydrophobicContact CG-CG 4.24Å; E309-F312 HydrophobicContact CB-CD2 3.78Å; E309-F312 HydrophobicContact CB-CE2 4Å; E309-F312 HydrophobicContact CG-CD2 4.44Å; E309-F312 HydrophobicContact CG-CE2 4.3Å; E309-F312 PolarHBondContact O-N 3.2Å; E309-F312 VanDerWaalsContact O-N 3.16Å; E309-F312 WeakPolarHBondContact OE2-CE2 3.44Å; P310-F312 PolarHBondContact O-N 2.71Å
313	K	97.7	Very high	97.5	Very high	25 Å²	25	12.2 Å²	12.2	11%	0.109	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139.6	175.2	-67.8	-168.7	170.6	-151.2	0	111.5	N354 M355 N475 T478	K313-N354 HydrophobicContact CB-CB 4.44Å; K313-M355 VanDerWaalsContact CA-O 3.29Å; K313-M355 WeakPolarHBondContact CA-O 3.29Å; K313-N475 PolarHBondContact NZ-O 2.92Å; K313-T478 WeakPolarHBondContact CE-OG1 3.11Å; K313-T478 PolarHBondContact NZ-OG1 3.43Å
314	A	98.4	Very high	97.3	Very high	2 Å²	2	17.5 Å²	17.5	2%	0.017	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	168.2	176.4	0	0	0	0	0	110.7	P143 Y146 F316 N354 M355	P143-A314 HydrophobicContact CB-CB 4.27Å; P143-A314 HydrophobicContact CG-CB 4.43Å; Y146-A314 HydrophobicContact CD2-CB 3.58Å; Y146-A314 HydrophobicContact CE2-CB 3.5Å; Y146-A314 VanDerWaalsContact CE2-CB 3.5Å; A314-F316 HydrophobicContact CB-CE2 4.35Å; A314-F316 HydrophobicContact CB-CZ 4.49Å; A314-F316 WeakPolarHBondContact O-CD2 3.41Å; A314-F316 WeakPolarHBondContact O-CE2 3.47Å; A314-N354 WeakPolarHBondContact O-CA 3.46Å; A314-M355 PolarHBondContact N-O 3.49Å; A314-M355 PolarHBondContact O-N 3.28Å
315	Q	98.6	Very high	97.1	Very high	72 Å²	72	23.2 Å²	23.2	34%	0.336	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	148	164.2	-55.1	-170	-79.8	0	0	110.1	S144 F145 Y146 S352 N354	S144-Q315 PolarHBondContact O-N 3.25Å; F145-Q315 CarbonylContact C-O 3.57Å; F145-Q315 WeakPolarHBondContact CA-O 3.32Å; F145-Q315 HydrophobicContact CD2-CB 3.72Å; F145-Q315 HydrophobicContact CE2-CB 4.13Å; Y146-Q315 PolarHBondContact N-O 2.92Å; Q315-S352 WeakPolarHBondContact CA-OG 3.42Å; Q315-S352 WeakPolarHBondContact CB-O 3.39Å; Q315-S352 WeakPolarHBondContact CG-O 3.49Å; Q315-S352 PolarHBondContact NE2-O 2.56Å; Q315-N354 WeakPolarHBondContact CG-OD1 3.43Å
316	F	98.8	Very high	97.1	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.018	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.7	177.2	-61.6	-97.1	0	0	0	108.9	Y146 F304 A314 V318 P351 S352 M355 T357 L360	Y146-F316 HydrophobicContact CD1-CE1 4.3Å; Y146-F316 AromaticContact CD2-CD1 3.71Å; Y146-F316 HydrophobicContact CD2-CD1 3.71Å; Y146-F316 AromaticContact CD2-CE1 3.26Å; Y146-F316 HydrophobicContact CD2-CE1 3.26Å; Y146-F316 HydrophobicContact CD2-CE2 4.37Å; Y146-F316 HydrophobicContact CD2-CG 4.42Å; Y146-F316 AromaticContact CD2-CZ 3.65Å; Y146-F316 HydrophobicContact CD2-CZ 3.65Å; Y146-F316 AromaticContact CE2-CE1 3.69Å; Y146-F316 HydrophobicContact CE2-CE1 3.69Å; Y146-F316 AromaticContact CE2-CZ 3.77Å; Y146-F316 HydrophobicContact CE2-CZ 3.77Å; Y146-F316 AromaticContact CG-CD1 3.79Å; Y146-F316 HydrophobicContact CG-CD1 3.79Å; Y146-F316 AromaticContact CG-CE1 3.62Å; Y146-F316 HydrophobicContact CG-CE1 3.62Å; Y146-F316 HydrophobicContact CG-CZ 4.44Å; F304-F316 HydrophobicContact CE2-CE1 4.36Å; F304-F316 HydrophobicContact CZ-CE1 4.12Å; A314-F316 HydrophobicContact CB-CE2 4.35Å; A314-F316 HydrophobicContact CB-CZ 4.49Å; A314-F316 WeakPolarHBondContact O-CD2 3.41Å; A314-F316 WeakPolarHBondContact O-CE2 3.47Å; F316-V318 HydrophobicContact CB-CG2 4.33Å; F316-P351 WeakPolarHBondContact O-CA 3.38Å; F316-S352 PolarHBondContact N-OG 3.49Å; F316-S352 PolarHBondContact O-N 2.66Å; F316-M355 HydrophobicContact CB-CE 4.2Å; F316-M355 HydrophobicContact CD2-CE 3.56Å; F316-M355 HydrophobicContact CD2-CG 3.85Å; F316-M355 HydrophobicContact CE2-CE 4.25Å; F316-M355 HydrophobicContact CE2-CG 3.88Å; F316-M355 HydrophobicContact CG-CE 4.11Å; F316-T357 HydrophobicContact CE1-CG2 4.36Å; F316-T357 HydrophobicContact CZ-CG2 3.93Å; F316-L360 HydrophobicContact CB-CD1 3.78Å; F316-L360 HydrophobicContact CD1-CD1 4.13Å; F316-L360 HydrophobicContact CD1-CD2 3.68Å; F316-L360 HydrophobicContact CD2-CD1 4.5Å; F316-L360 HydrophobicContact CE1-CD2 4Å; F316-L360 HydrophobicContact CG-CD1 3.89Å; F316-L360 HydrophobicContact CG-CD2 4.29Å
317	Q	98.7	Very high	97	Very high	30 Å²	30	26.7 Å²	26.7	14%	0.14	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	120.5	163.2	-175.3	-179.1	-86.5	0	0	107.5	F145 Y146 D147 L148 K348 P351	F145-Q317 HydrophobicContact CE1-CB 4.05Å; F145-Q317 HydrophobicContact CZ-CB 3.6Å; Y146-Q317 PolarHBondContact O-N 3.27Å; D147-Q317 PolarHBondContact OD1-NE2 2.93Å; L148-Q317 PolarHBondContact N-O 3.5Å; Q317-K348 VanDerWaalsContact CD-CE 3.44Å; Q317-K348 VanDerWaalsContact NE2-CE 3.35Å; Q317-P351 HydrophobicContact CB-CG 4.31Å; Q317-P351 HydrophobicContact CG-CG 4.41Å
318	V	98.8	Very high	97.1	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.024	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.1	-172.2	179.9	0	0	0	0	109	L148 F316 L320 Y349 L360 F362	L148-V318 CarbonylContact O-C 3.49Å; L148-V318 WeakPolarHBondContact O-CA 3.47Å; F316-V318 HydrophobicContact CB-CG2 4.33Å; V318-L320 HydrophobicContact CG1-CD1 4.47Å; V318-L320 HydrophobicContact CG1-CD2 3.82Å; V318-L320 HydrophobicContact CG1-CG 3.9Å; V318-Y349 PolarHBondContact O-N 3.36Å; V318-L360 HydrophobicContact CG2-CD1 3.84Å; V318-F362 HydrophobicContact CB-CE1 4.22Å; V318-F362 HydrophobicContact CG1-CD1 3.64Å; V318-F362 HydrophobicContact CG1-CE1 3.42Å; V318-F362 VanDerWaalsContact CG1-CE1 3.42Å; V318-F362 HydrophobicContact CG2-CE1 3.72Å
319	S	98.8	Very high	97.1	Very high	9 Å²	9	27.3 Å²	27.3	6%	0.063	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.6	171.8	-58.6	0	0	0	0	110	L148 K149 L150 D347	L148-S319 PolarHBondContact O-N 3.33Å; K149-S319 WeakPolarHBondContact CA-O 3.45Å; L150-S319 PolarHBondContact N-O 3.23Å; S319-D347 CarbonylContact C-O 3.56Å; S319-D347 VanDerWaalsContact CA-O 3.32Å; S319-D347 WeakPolarHBondContact CA-O 3.37Å
320	L	98.8	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.4	-177.6	-60.7	179	0	0	0	110	L150 V318 D347 Y349 F362	L150-L320 HydrophobicContact CB-CD2 3.93Å; L150-L320 HydrophobicContact CD1-CD2 4.27Å; L150-L320 CarbonylContact O-C 3.51Å; L150-L320 WeakPolarHBondContact O-CA 3.27Å; V318-L320 HydrophobicContact CG1-CD1 4.47Å; V318-L320 HydrophobicContact CG1-CD2 3.82Å; V318-L320 HydrophobicContact CG1-CG 3.9Å; L320-D347 PolarHBondContact N-O 3.03Å; L320-D347 PolarHBondContact O-N 3.44Å; L320-Y349 HydrophobicContact CD1-CE2 3.91Å; L320-Y349 HydrophobicContact CG-CE2 4.18Å; L320-F362 HydrophobicContact CD1-CB 4.05Å; L320-F362 HydrophobicContact CD1-CD1 4.38Å; L320-F362 HydrophobicContact CD2-CB 4.28Å; L320-F362 HydrophobicContact CD2-CD1 4.11Å; L320-F362 HydrophobicContact CD2-CG 4.29Å
321	I	98.3	Very high	97.4	Very high	11 Å²	11	27.3 Å²	27.3	6%	0.056	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.7	173.1	-61.7	166.4	0	0	0	109.2	K149 L150 Q151 V152 L340 W344 Y345 L346	K149-I321 HydrophobicContact CD-CD1 4.47Å; K149-I321 HydrophobicContact CG-CD1 4.4Å; L150-I321 PolarHBondContact O-N 3.03Å; Q151-I321 HydrophobicContact CB-CB 3.81Å; Q151-I321 HydrophobicContact CB-CD1 4.21Å; Q151-I321 HydrophobicContact CB-CG2 4.29Å; Q151-I321 HydrophobicContact CG-CB 3.81Å; Q151-I321 HydrophobicContact CG-CG2 3.73Å; V152-I321 PolarHBondContact N-O 3.16Å; I321-L340 HydrophobicContact CD1-CD1 4.19Å; I321-L340 HydrophobicContact CG1-CD1 4.11Å; I321-L340 HydrophobicContact CG2-CD1 4.03Å; I321-W344 HydrophobicContact CG2-CB 4.24Å; I321-W344 HydrophobicContact CG2-CD2 4.22Å; I321-W344 HydrophobicContact CG2-CE3 3.53Å; I321-W344 HydrophobicContact CG2-CZ3 4.19Å; I321-Y345 VanDerWaalsContact CA-O 3.29Å; I321-Y345 WeakPolarHBondContact CA-O 3.33Å; I321-L346 HydrophobicContact CD1-CD1 4.16Å; I321-L346 HydrophobicContact CG1-CB 4.45Å; I321-L346 HydrophobicContact CG1-CD1 3.46Å; I321-L346 VanDerWaalsContact CG1-CD1 3.46Å
322	R	96.5	Very high	97.5	Very high	23 Å²	23	27.8 Å²	27.8	9%	0.087	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	161.2	-176	57.5	166.5	177.4	74.2	11.2	111.8	Y326 H327 W344 Y345 D347 V364	R322-Y326 VanDerWaalsContact CD-O 3.29Å; R322-Y326 WeakPolarHBondContact CD-O 3.01Å; R322-Y326 VanDerWaalsContact CZ-O 3.28Å; R322-Y326 PolarHBondContact NE-O 2.95Å; R322-Y326 PolarHBondContact NH1-O 3.46Å; R322-H327 VanDerWaalsContact CD-C 3.45Å; R322-W344 CarbonylContact O-C 3.57Å; R322-W344 WeakPolarHBondContact O-CA 3.2Å; R322-Y345 PolarHBondContact N-O 3.32Å; R322-Y345 PolarHBondContact O-N 3.33Å; R322-D347 IonicContact CZ-OD1 2.9Å; R322-D347 IonicContact CZ-OD2 2.83Å; R322-D347 IonicContact NE-OD1 2.62Å; R322-D347 IonicContact NE-OD2 3.59Å; R322-D347 PolarHBondContact NE-OD2 3.14Å; R322-D347 IonicContact NH2-OD1 3.38Å; R322-D347 PolarHBondContact NH2-OD1 3.47Å; R322-D347 IonicContact NH2-OD2 3.48Å; R322-D347 PolarHBondContact NH2-OD2 2.88Å; R322-V364 HydrophobicContact CB-CG1 3.96Å
323	Q	95.5	Very high	97.6	Very high	56 Å²	56	28.9 Å²	28.9	26%	0.262	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	155.8	171.6	-67.3	175.5	13.2	0	0	111.1	D325 Y326 W344	Q323-D325 VanDerWaalsContact C-N 3.27Å; Q323-D325 PolarHBondContact O-N 3.19Å; Q323-D325 VanDerWaalsContact O-N 3.15Å; Q323-Y326 HydrophobicContact CB-CD2 4.15Å; Q323-Y326 PolarHBondContact O-N 3.08Å; Q323-W344 HydrophobicContact CG-CD2 4.17Å; Q323-W344 HydrophobicContact CG-CE3 3.99Å; Q323-W344 HydrophobicContact CG-CH2 3.7Å; Q323-W344 HydrophobicContact CG-CZ2 3.84Å; Q323-W344 HydrophobicContact CG-CZ3 3.77Å
324	K	93.9	Very high	97.6	Very high	111 Å²	111	31.7 Å²	31.7	48%	0.483	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-41.5	-178.4	-171.3	168.9	-174.7	164.6	0	115.6	Y326 N343 Y345	K324-Y326 PolarHBondContact O-N 3.43Å; K324-N343 HydrophobicContact CB-CB 4.18Å; K324-N343 PolarHBondContact N-O 2.86Å; K324-Y345 HydrophobicContact CB-CD2 4.13Å; K324-Y345 HydrophobicContact CB-CE2 3.67Å; K324-Y345 HydrophobicContact CD-CE2 4.11Å; K324-Y345 HydrophobicContact CG-CD2 4.48Å; K324-Y345 HydrophobicContact CG-CE2 3.66Å
325	D	92.5	Very high	97.6	Very high	120 Å²	120	36.2 Å²	36.2	64%	0.642	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	0.2	-174.1	-63.8	-20.5	0	0	0	113.9	Q323 Q366	Q323-D325 VanDerWaalsContact C-N 3.27Å; Q323-D325 PolarHBondContact O-N 3.19Å; Q323-D325 VanDerWaalsContact O-N 3.15Å; D325-Q366 WeakPolarHBondContact O-CG 3.38Å; D325-Q366 PolarHBondContact O-NE2 3.11Å
326	Y	96.6	Very high	97.6	Very high	31 Å²	31	35.5 Å²	35.5	12%	0.122	18%	0.183	C	C	.	.			trans	-108.1	157.4	173.7	-69.4	-98.4	0	0	0	109.7	L154 Y289 R322 Q323 K324 V364 S365 Q366	L154-Y326 HydrophobicContact CD1-CD1 4.08Å; L154-Y326 HydrophobicContact CD1-CE1 3.49Å; L154-Y326 VanDerWaalsContact CD1-CE1 3.49Å; Y289-Y326 WeakPolarHBondContact O-CE1 3.25Å; R322-Y326 VanDerWaalsContact CD-O 3.29Å; R322-Y326 WeakPolarHBondContact CD-O 3.01Å; R322-Y326 VanDerWaalsContact CZ-O 3.28Å; R322-Y326 PolarHBondContact NE-O 2.95Å; R322-Y326 PolarHBondContact NH1-O 3.46Å; Q323-Y326 HydrophobicContact CB-CD2 4.15Å; Q323-Y326 PolarHBondContact O-N 3.08Å; K324-Y326 PolarHBondContact O-N 3.43Å; Y326-V364 HydrophobicContact CD1-CG1 3.93Å; Y326-V364 HydrophobicContact CG-CG1 4.1Å; Y326-S365 WeakPolarHBondContact CA-O 3.26Å; Y326-Q366 HydrophobicContact CD1-CG 3.87Å; Y326-Q366 HydrophobicContact CE1-CG 3.85Å; Y326-Q366 HydrophobicContact CG-CG 4.31Å
327	H	96.2	Very high	97.6	Very high	42 Å²	42	38.5 Å²	38.5	19%	0.194	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	161.4	158.1	62.1	-84.3	0	0	0	108.9	R322 V364 S365 F367 W383	R322-H327 VanDerWaalsContact CD-C 3.45Å; H327-V364 WeakPolarHBondContact O-CA 3.35Å; H327-S365 PolarHBondContact CE1-O 2.96Å; H327-S365 PolarHBondContact N-O 3.24Å; H327-S365 PolarHBondContact ND1-O 2.82Å; H327-S365 PolarHBondContact NE2-OG 3.18Å; H327-S365 PolarHBondContact O-N 3.17Å; H327-S365 VanDerWaalsContact O-N 3.09Å; H327-F367 PolarHBondContact CE1-N 2.97Å; H327-F367 PolarHBondContact CE1-O 3.25Å; H327-W383 AromaticContact CD2-CZ3 3.65Å; H327-W383 AromaticContact CE1-CZ3 3.86Å; H327-W383 AromaticContact NE2-CE3 3.38Å; H327-W383 AromaticContact NE2-CZ3 3.38Å; H327-W383 WeakPolarHBondContact NE2-CZ3 3.29Å
328	S	98.6	Very high	97.5	Very high	7 Å²	7	42.5 Å²	42.5	5%	0.049	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	158.8	170.9	64.2	0	0	0	0	111.8	D347 Y349 V363	S328-D347 VanDerWaalsContact OG-CB 3.29Å; S328-D347 WeakPolarHBondContact OG-CB 3.2Å; S328-D347 PolarHBondContact OG-OD2 3.46Å; S328-Y349 PolarHBondContact O-OH 3.46Å; S328-Y349 PolarHBondContact OG-OH 3.26Å; S328-V363 CarbonylContact C-O 3.59Å; S328-V363 VanDerWaalsContact CA-O 3.22Å; S328-V363 WeakPolarHBondContact CA-O 3.45Å
329	L	98.7	Very high	97.4	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.047	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.3	171.4	-53.1	173.6	0	0	0	108.4	Y349 F362 V363 W383 L437	L329-Y349 WeakPolarHBondContact CA-OH 3.32Å; L329-Y349 PolarHBondContact N-OH 3.13Å; L329-F362 WeakPolarHBondContact O-CA 3.47Å; L329-V363 HydrophobicContact CB-CB 4.27Å; L329-V363 HydrophobicContact CD1-CB 4.38Å; L329-V363 PolarHBondContact N-O 3.18Å; L329-V363 PolarHBondContact O-N 2.91Å; L329-W383 HydrophobicContact CD1-CB 4.15Å; L329-W383 HydrophobicContact CD1-CD2 3.76Å; L329-W383 HydrophobicContact CD1-CE3 4.3Å; L329-W383 HydrophobicContact CD1-CG 3.65Å; L329-W383 HydrophobicContact CD2-CD2 3.88Å; L329-W383 VanDerWaalsContact CD2-CE2 3.48Å; L329-W383 HydrophobicContact CD2-CE3 4.24Å; L329-W383 HydrophobicContact CD2-CH2 3.97Å; L329-W383 HydrophobicContact CD2-CZ2 3.54Å; L329-W383 HydrophobicContact CD2-CZ3 4.29Å; L329-W383 HydrophobicContact CG-CD2 4.45Å; L329-L437 HydrophobicContact CB-CD1 3.94Å; L329-L437 HydrophobicContact CB-CD2 3.65Å; L329-L437 HydrophobicContact CB-CG 4.48Å; L329-L437 HydrophobicContact CD1-CD1 4.06Å
330	S	98.7	Very high	97.2	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	175.8	171.7	-173.9	0	0	0	0	109.8	M332 A361 K418	S330-M332 VanDerWaalsContact C-N 3.34Å; S330-M332 PolarHBondContact O-N 3.16Å; S330-A361 WeakPolarHBondContact CA-O 3.37Å; S330-A361 PolarHBondContact OG-O 3.39Å; S330-K418 PolarHBondContact O-NZ 3.48Å
331	N	98.7	Very high	96.7	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.011	28%	0.276	C	S	.	.	S	Bend	trans	-51.5	-45.8	-176.8	-65.8	84.4	0	0	0	113.8	M355 L359 L360 A361 K418 W435 G436	N331-M355 HydrophobicContact CB-CE 4.37Å; N331-L359 PolarHBondContact ND2-O 3.48Å; N331-L360 WeakPolarHBondContact OD1-CA 3.32Å; N331-A361 PolarHBondContact OD1-N 3.44Å; N331-A361 PolarHBondContact OD1-O 2.87Å; N331-K418 WeakPolarHBondContact O-CE 3.44Å; N331-K418 PolarHBondContact O-NZ 3.32Å; N331-W435 WeakPolarHBondContact CA-O 3.35Å; N331-W435 WeakPolarHBondContact CB-O 3.49Å; N331-W435 PolarHBondContact ND2-N 2.79Å; N331-W435 PolarHBondContact ND2-O 3.14Å; N331-G436 CarbonylContact O-C 3.58Å; N331-G436 WeakPolarHBondContact O-CA 3.09Å
332	M	98.5	Very high	96.2	Very high	16 Å²	16	60 Å²	60	8%	0.079	31%	0.305	C	S	.	.	S	Bend	trans	-100.7	174.9	-172.3	-60.7	-56.6	148.1	0	0	113.2	S330 Y349 E350 S352 V353 L416 K418	S330-M332 VanDerWaalsContact C-N 3.34Å; S330-M332 PolarHBondContact O-N 3.16Å; M332-Y349 VanDerWaalsContact O-CD1 3.24Å; M332-Y349 WeakPolarHBondContact O-CD1 3.35Å; M332-E350 HydrophobicContact CB-CB 4.15Å; M332-E350 WeakPolarHBondContact CB-O 3.34Å; M332-E350 WeakPolarHBondContact CG-O 3.47Å; M332-S352 VanDerWaalsContact CE-CB 3.44Å; M332-V353 HydrophobicContact CE-CG2 4.35Å; M332-L416 HydrophobicContact CE-CD1 3.95Å; M332-L416 HydrophobicContact CE-CD2 3.77Å; M332-L416 HydrophobicContact SD-CD1 4.32Å; M332-L416 HydrophobicContact SD-CD2 3.97Å; M332-K418 WeakPolarHBondContact O-CE 3.49Å; M332-K418 PolarHBondContact O-NZ 3.06Å
333	A	97.8	Very high	95.9	Very high	30 Å²	30	63.4 Å²	63.4	25%	0.248	33%	0.325	C	S	.	.			trans	-67.2	147.2	177.6	0	0	0	0	0	110.7	E335 Y349 E350 K418	A333-E335 PolarHBondContact O-N 2.87Å; A333-Y349 WeakPolarHBondContact O-CA 3.45Å; A333-E350 PolarHBondContact O-N 3.06Å; A333-K418 HydrophobicContact CB-CG 4.23Å
334	L	98.1	Very high	95.9	Very high	85 Å²	85	62.2 Å²	62.2	45%	0.445	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	118.3	173.2	-176.8	67.1	0	0	0	108.8	D347 Y349	L334-D347 HydrophobicContact CD1-CB 3.64Å; L334-Y349 HydrophobicContact CB-CD1 4.3Å; L334-Y349 HydrophobicContact CB-CE1 4.08Å; L334-Y349 HydrophobicContact CD1-CD1 4.35Å; L334-Y349 HydrophobicContact CD1-CE1 4.02Å; L334-Y349 HydrophobicContact CD1-CE2 4.27Å
335	E	98	Very high	96.1	Very high	97 Å²	97	58.4 Å²	58.4	45%	0.453	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-47.4	178.9	-179.5	-179.7	-131.9	0	0	110.6	A333 K348 E350	A333-E335 PolarHBondContact O-N 2.87Å; E335-K348 WeakPolarHBondContact CA-O 3.3Å; E335-K348 VanDerWaalsContact CB-O 3.31Å; E335-K348 WeakPolarHBondContact CB-O 3.48Å; E335-K348 PolarHBondContact N-O 3.27Å; E335-K348 VanDerWaalsContact OE2-CD 3.31Å; E335-K348 WeakPolarHBondContact OE2-CD 3.39Å; E335-K348 WeakPolarHBondContact OE2-CE 3.47Å; E335-K348 IonicContact OE2-NZ 3.28Å; E335-K348 PolarHBondContact OE2-NZ 3.35Å; E335-E350 HydrophobicContact CB-CG 4.03Å
336	S	98.4	Very high	96.4	Very high	57 Å²	57	53.7 Å²	53.7	40%	0.399	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	155.7	-179.5	55.7	0	0	0	0	112.3	K348	S336-K348 PolarHBondContact N-O 2.89Å; S336-K348 VanDerWaalsContact N-O 3.15Å; S336-K348 PolarHBondContact O-N 2.99Å
337	T	98.6	Very high	96.5	Very high	67 Å²	67	52.3 Å²	52.3	41%	0.411	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.1	168.8	-65.2	0	0	0	0	107.7	Y345 L346 D347	T337-Y345 HydrophobicContact CG2-CD1 3.74Å; T337-Y345 HydrophobicContact CG2-CG 4.4Å; T337-L346 WeakPolarHBondContact CA-O 3.35Å; T337-D347 VanDerWaalsContact CB-OD1 3.32Å; T337-D347 WeakPolarHBondContact CB-OD1 3.16Å; T337-D347 WeakPolarHBondContact CG2-OD1 3.35Å; T337-D347 PolarHBondContact OG1-OD1 3.31Å
338	E	97.5	Very high	96.7	Very high	113 Å²	113	53 Å²	53	53%	0.528	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.6	175.8	-179.5	-176.6	173.2	0	0	109.7	L340 Y345 L346	E338-L340 HydrophobicContact CG-CD2 4.39Å; E338-Y345 CarbonylContact O-C 3.51Å; E338-Y345 VanDerWaalsContact O-CA 3.26Å; E338-Y345 WeakPolarHBondContact O-CA 3.45Å; E338-L346 HydrophobicContact CB-CB 4.31Å; E338-L346 PolarHBondContact N-O 2.88Å; E338-L346 PolarHBondContact O-N 2.98Å
339	E	96.7	Very high	96.7	Very high	122 Å²	122	53 Å²	53	57%	0.57	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	120	170.4	-172.5	164.5	160.7	0	0	109.4	Y345	E339-Y345 HydrophobicContact CB-CD1 3.98Å; E339-Y345 HydrophobicContact CB-CE1 3.55Å; E339-Y345 HydrophobicContact CG-CD1 4.31Å; E339-Y345 HydrophobicContact CG-CE1 3.66Å; E339-Y345 HydrophobicContact CG-CE2 4.4Å; E339-Y345 PolarHBondContact OE2-OH 3.04Å
340	L	94.2	Very high	96.7	Very high	46 Å²	46	55 Å²	55	24%	0.241	28%	0.281	C	S	.	.			trans	-92.3	-173.3	172.7	-55.3	-179.5	0	0	0	109.8	I321 E338 W344 L346	I321-L340 HydrophobicContact CD1-CD1 4.19Å; I321-L340 HydrophobicContact CG1-CD1 4.11Å; I321-L340 HydrophobicContact CG2-CD1 4.03Å; E338-L340 HydrophobicContact CG-CD2 4.39Å; L340-W344 WeakPolarHBondContact CA-O 3.46Å; L340-W344 HydrophobicContact CB-CB 4.04Å; L340-W344 WeakPolarHBondContact CB-O 3.37Å; L340-W344 HydrophobicContact CD1-CB 4.37Å; L340-W344 PolarHBondContact N-O 3.29Å; L340-L346 HydrophobicContact CD1-CB 4.04Å; L340-L346 HydrophobicContact CD2-CB 4.17Å; L340-L346 HydrophobicContact CG-CB 4.1Å
341	H	88.8	Confident	96.7	Very high	99 Å²	99	57.4 Å²	57.4	46%	0.458	30%	0.296	S	S	.	.	S	Bend	trans	-69.3	160.5	173.5	63.1	90.8	0	0	0	112.1	F210 N343 W344	F210-H341 AromaticContact CD2-NE2 3.74Å; H341-N343 PolarHBondContact O-N 2.91Å; H341-W344 WeakPolarHBondContact O-CB 3.34Å; H341-W344 PolarHBondContact O-N 2.89Å; H341-W344 VanDerWaalsContact O-N 3.13Å
342	D	88	Confident	96.6	Very high	125 Å²	125	57.4 Å²	57.4	67%	0.668	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	39.5	171	-52.5	-42.3	0	0	0	116.1	W344	D342-W344 PolarHBondContact O-N 3.45Å
343	N	90.6	Very high	96.6	Very high	94 Å²	94	58 Å²	58	50%	0.503	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	22.9	-179.1	-58.2	-66.3	0	0	0	114.6	K324 H341	K324-N343 HydrophobicContact CB-CB 4.18Å; K324-N343 PolarHBondContact N-O 2.86Å; H341-N343 PolarHBondContact O-N 2.91Å
344	W	95.8	Very high	96.6	Very high	31 Å²	31	59.9 Å²	59.9	12%	0.117	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	147.7	168.1	-69.4	94.2	0	0	0	110.9	Q151 V152 H153 I321 R322 Q323 L340 H341 D342	Q151-W344 HydrophobicContact CG-CH2 4.44Å; Q151-W344 HydrophobicContact CG-CZ3 4.08Å; V152-W344 VanDerWaalsContact O-CH2 3.24Å; V152-W344 WeakPolarHBondContact O-CH2 3.46Å; V152-W344 VanDerWaalsContact O-CZ3 3.26Å; V152-W344 WeakPolarHBondContact O-CZ3 3.23Å; H153-W344 AromaticContact ND1-CH2 3.98Å; I321-W344 HydrophobicContact CG2-CB 4.24Å; I321-W344 HydrophobicContact CG2-CD2 4.22Å; I321-W344 HydrophobicContact CG2-CE3 3.53Å; I321-W344 HydrophobicContact CG2-CZ3 4.19Å; R322-W344 CarbonylContact O-C 3.57Å; R322-W344 WeakPolarHBondContact O-CA 3.2Å; Q323-W344 HydrophobicContact CG-CD2 4.17Å; Q323-W344 HydrophobicContact CG-CE3 3.99Å; Q323-W344 HydrophobicContact CG-CH2 3.7Å; Q323-W344 HydrophobicContact CG-CZ2 3.84Å; Q323-W344 HydrophobicContact CG-CZ3 3.77Å; L340-W344 WeakPolarHBondContact CA-O 3.46Å; L340-W344 HydrophobicContact CB-CB 4.04Å; L340-W344 WeakPolarHBondContact CB-O 3.37Å; L340-W344 HydrophobicContact CD1-CB 4.37Å; L340-W344 PolarHBondContact N-O 3.29Å; H341-W344 WeakPolarHBondContact O-CB 3.34Å; H341-W344 PolarHBondContact O-N 2.89Å; H341-W344 VanDerWaalsContact O-N 3.13Å; D342-W344 PolarHBondContact O-N 3.45Å
345	Y	98.1	Very high	96.6	Very high	32 Å²	32	55.9 Å²	55.9	13%	0.125	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.1	176.8	-71.6	-96.4	0	0	0	109.5	I321 R322 K324 T337 E338 E339	I321-Y345 VanDerWaalsContact CA-O 3.29Å; I321-Y345 WeakPolarHBondContact CA-O 3.33Å; R322-Y345 PolarHBondContact N-O 3.32Å; R322-Y345 PolarHBondContact O-N 3.33Å; K324-Y345 HydrophobicContact CB-CD2 4.13Å; K324-Y345 HydrophobicContact CB-CE2 3.67Å; K324-Y345 HydrophobicContact CD-CE2 4.11Å; K324-Y345 HydrophobicContact CG-CD2 4.48Å; K324-Y345 HydrophobicContact CG-CE2 3.66Å; T337-Y345 HydrophobicContact CG2-CD1 3.74Å; T337-Y345 HydrophobicContact CG2-CG 4.4Å; E338-Y345 CarbonylContact O-C 3.51Å; E338-Y345 VanDerWaalsContact O-CA 3.26Å; E338-Y345 WeakPolarHBondContact O-CA 3.45Å; E339-Y345 HydrophobicContact CB-CD1 3.98Å; E339-Y345 HydrophobicContact CB-CE1 3.55Å; E339-Y345 HydrophobicContact CG-CD1 4.31Å; E339-Y345 HydrophobicContact CG-CE1 3.66Å; E339-Y345 HydrophobicContact CG-CE2 4.4Å; E339-Y345 PolarHBondContact OE2-OH 3.04Å
346	L	98.4	Very high	96.6	Very high	21 Å²	21	51.2 Å²	51.2	11%	0.11	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	108	173.3	179	69.8	0	0	0	109	I321 T337 E338 L340	I321-L346 HydrophobicContact CD1-CD1 4.16Å; I321-L346 HydrophobicContact CG1-CB 4.45Å; I321-L346 HydrophobicContact CG1-CD1 3.46Å; I321-L346 VanDerWaalsContact CG1-CD1 3.46Å; T337-L346 WeakPolarHBondContact CA-O 3.35Å; E338-L346 HydrophobicContact CB-CB 4.31Å; E338-L346 PolarHBondContact N-O 2.88Å; E338-L346 PolarHBondContact O-N 2.98Å; L340-L346 HydrophobicContact CD1-CB 4.04Å; L340-L346 HydrophobicContact CD2-CB 4.17Å; L340-L346 HydrophobicContact CG-CB 4.1Å
347	D	98.8	Very high	96.6	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.011	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112.1	171.4	-78	-8	0	0	0	109.3	S319 L320 R322 S328 L334 T337 Y349	S319-D347 CarbonylContact C-O 3.56Å; S319-D347 VanDerWaalsContact CA-O 3.32Å; S319-D347 WeakPolarHBondContact CA-O 3.37Å; L320-D347 PolarHBondContact N-O 3.03Å; L320-D347 PolarHBondContact O-N 3.44Å; R322-D347 IonicContact CZ-OD1 2.9Å; R322-D347 IonicContact CZ-OD2 2.83Å; R322-D347 IonicContact NE-OD1 2.62Å; R322-D347 IonicContact NE-OD2 3.59Å; R322-D347 PolarHBondContact NE-OD2 3.14Å; R322-D347 IonicContact NH2-OD1 3.38Å; R322-D347 PolarHBondContact NH2-OD1 3.47Å; R322-D347 IonicContact NH2-OD2 3.48Å; R322-D347 PolarHBondContact NH2-OD2 2.88Å; S328-D347 VanDerWaalsContact OG-CB 3.29Å; S328-D347 WeakPolarHBondContact OG-CB 3.2Å; S328-D347 PolarHBondContact OG-OD2 3.46Å; L334-D347 HydrophobicContact CD1-CB 3.64Å; T337-D347 VanDerWaalsContact CB-OD1 3.32Å; T337-D347 WeakPolarHBondContact CB-OD1 3.16Å; T337-D347 WeakPolarHBondContact CG2-OD1 3.35Å; T337-D347 PolarHBondContact OG1-OD1 3.31Å; D347-Y349 HydrophobicContact CB-CE2 4.06Å
348	K	98.8	Very high	96.6	Very high	56 Å²	56	45.5 Å²	45.5	24%	0.243	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.7	176.4	-173	178.3	177.7	-135.7	0	109.8	Q317 E335 S336	Q317-K348 VanDerWaalsContact CD-CE 3.44Å; Q317-K348 VanDerWaalsContact NE2-CE 3.35Å; E335-K348 WeakPolarHBondContact CA-O 3.3Å; E335-K348 VanDerWaalsContact CB-O 3.31Å; E335-K348 WeakPolarHBondContact CB-O 3.48Å; E335-K348 PolarHBondContact N-O 3.27Å; E335-K348 VanDerWaalsContact OE2-CD 3.31Å; E335-K348 WeakPolarHBondContact OE2-CD 3.39Å; E335-K348 WeakPolarHBondContact OE2-CE 3.47Å; E335-K348 IonicContact OE2-NZ 3.28Å; E335-K348 PolarHBondContact OE2-NZ 3.35Å; S336-K348 PolarHBondContact N-O 2.89Å; S336-K348 VanDerWaalsContact N-O 3.15Å; S336-K348 PolarHBondContact O-N 2.99Å
349	Y	98.8	Very high	96.6	Very high	8 Å²	8	40.1 Å²	40.1	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	152.2	176.8	-65.1	-91.4	0	0	0	111.4	V318 L320 S328 L329 M332 A333 L334 D347	V318-Y349 PolarHBondContact O-N 3.36Å; L320-Y349 HydrophobicContact CD1-CE2 3.91Å; L320-Y349 HydrophobicContact CG-CE2 4.18Å; S328-Y349 PolarHBondContact O-OH 3.46Å; S328-Y349 PolarHBondContact OG-OH 3.26Å; L329-Y349 WeakPolarHBondContact CA-OH 3.32Å; L329-Y349 PolarHBondContact N-OH 3.13Å; M332-Y349 VanDerWaalsContact O-CD1 3.24Å; M332-Y349 WeakPolarHBondContact O-CD1 3.35Å; A333-Y349 WeakPolarHBondContact O-CA 3.45Å; L334-Y349 HydrophobicContact CB-CD1 4.3Å; L334-Y349 HydrophobicContact CB-CE1 4.08Å; L334-Y349 HydrophobicContact CD1-CD1 4.35Å; L334-Y349 HydrophobicContact CD1-CE1 4.02Å; L334-Y349 HydrophobicContact CD1-CE2 4.27Å; D347-Y349 HydrophobicContact CB-CE2 4.06Å
350	E	98.5	Very high	96.7	Very high	51 Å²	51	34.3 Å²	34.3	24%	0.238	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-60.7	150.6	174.9	-63.7	179.3	155.4	0	0	111.8	M332 A333 E335 S352 R417	M332-E350 HydrophobicContact CB-CB 4.15Å; M332-E350 WeakPolarHBondContact CB-O 3.34Å; M332-E350 WeakPolarHBondContact CG-O 3.47Å; A333-E350 PolarHBondContact O-N 3.06Å; E335-E350 HydrophobicContact CB-CG 4.03Å; E350-S352 PolarHBondContact O-N 3.18Å; E350-R417 IonicContact OE1-CZ 3.3Å; E350-R417 IonicContact OE1-NH2 3.98Å; E350-R417 PolarHBondContact OE1-NH2 3.07Å; E350-R417 IonicContact OE2-CZ 2.75Å; E350-R417 IonicContact OE2-NE 2.87Å; E350-R417 IonicContact OE2-NH2 2.94Å; E350-R417 PolarHBondContact OE2-NH2 3.07Å
351	P	98.6	Very high	96.9	Very high	51 Å²	51	32.1 Å²	32.1	33%	0.331	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-58.1	136.2	173.5	-24.8	34.1	0	0	0	112.7	F145 F316 Q317	F145-P351 HydrophobicContact CE2-CB 4.08Å; F145-P351 HydrophobicContact CE2-CG 4.34Å; F145-P351 HydrophobicContact CZ-CG 4.46Å; F316-P351 WeakPolarHBondContact O-CA 3.38Å; Q317-P351 HydrophobicContact CB-CG 4.31Å; Q317-P351 HydrophobicContact CG-CG 4.41Å
352	S	98.6	Very high	97.3	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.014	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-67.3	163.9	176.2	78.4	0	0	0	0	113.2	Q315 F316 M332 E350	Q315-S352 WeakPolarHBondContact CA-OG 3.42Å; Q315-S352 WeakPolarHBondContact CB-O 3.39Å; Q315-S352 WeakPolarHBondContact CG-O 3.49Å; Q315-S352 PolarHBondContact NE2-O 2.56Å; F316-S352 PolarHBondContact N-OG 3.49Å; F316-S352 PolarHBondContact O-N 2.66Å; M332-S352 VanDerWaalsContact CE-CB 3.44Å; E350-S352 PolarHBondContact O-N 3.18Å
353	V	97.7	Very high	97.8	Very high	30 Å²	30	21.5 Å²	21.5	18%	0.182	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-62.4	165.2	156.5	-62.7	0	0	0	0	110.3	M332 M355 L416 W435 Y584	M332-V353 HydrophobicContact CE-CG2 4.35Å; V353-M355 PolarHBondContact O-N 2.87Å; V353-M355 VanDerWaalsContact O-N 3.08Å; V353-L416 HydrophobicContact CG1-CD2 3.91Å; V353-L416 HydrophobicContact CG2-CD2 4.14Å; V353-W435 HydrophobicContact CG2-CD2 3.99Å; V353-W435 HydrophobicContact CG2-CE3 3.77Å; V353-W435 HydrophobicContact CG2-CH2 3.68Å; V353-W435 HydrophobicContact CG2-CZ2 3.97Å; V353-W435 HydrophobicContact CG2-CZ3 3.61Å; V353-Y584 HydrophobicContact CB-CD1 4.46Å; V353-Y584 HydrophobicContact CB-CE1 3.92Å; V353-Y584 HydrophobicContact CG1-CE1 4.21Å; V353-Y584 HydrophobicContact CG2-CE1 4.29Å
354	N	97.8	Very high	98.2	Very high	69 Å²	69	17 Å²	17	37%	0.369	9%	0.086	S	C	.	.	S	Bend	trans	-63.2	111.9	173.9	-77.5	4.2	0	0	0	110.2	K313 A314 Q315	K313-N354 HydrophobicContact CB-CB 4.44Å; A314-N354 WeakPolarHBondContact O-CA 3.46Å; Q315-N354 WeakPolarHBondContact CG-OD1 3.43Å
355	M	98.1	Very high	98.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	162.3	-176.9	67.6	-174.3	-169.9	0	0	110.9	K313 A314 F316 N331 V353 L359 L360 W435	K313-M355 VanDerWaalsContact CA-O 3.29Å; K313-M355 WeakPolarHBondContact CA-O 3.29Å; A314-M355 PolarHBondContact N-O 3.49Å; A314-M355 PolarHBondContact O-N 3.28Å; F316-M355 HydrophobicContact CB-CE 4.2Å; F316-M355 HydrophobicContact CD2-CE 3.56Å; F316-M355 HydrophobicContact CD2-CG 3.85Å; F316-M355 HydrophobicContact CE2-CE 4.25Å; F316-M355 HydrophobicContact CE2-CG 3.88Å; F316-M355 HydrophobicContact CG-CE 4.11Å; N331-M355 HydrophobicContact CB-CE 4.37Å; V353-M355 PolarHBondContact O-N 2.87Å; V353-M355 VanDerWaalsContact O-N 3.08Å; M355-L359 HydrophobicContact CB-CD1 4.14Å; M355-L359 HydrophobicContact SD-CB 4.41Å; M355-L360 HydrophobicContact CE-CB 4.28Å; M355-L360 HydrophobicContact CE-CD1 3.59Å; M355-W435 HydrophobicContact CB-CE3 3.66Å; M355-W435 HydrophobicContact CB-CZ3 3.87Å; M355-W435 HydrophobicContact SD-CB 4.28Å; M355-W435 HydrophobicContact SD-CE3 4.38Å
356	S	98.1	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	156.8	175.5	-52.9	0	0	0	0	110.8	P310 Y358 L359	P310-S356 PolarHBondContact O-OG 3.08Å; S356-Y358 VanDerWaalsContact C-N 3.3Å; S356-Y358 PolarHBondContact O-N 3.47Å; S356-L359 PolarHBondContact O-N 3.08Å
357	T	98.5	Very high	98.2	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.012	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-57.9	-37.6	-175.3	49.6	0	0	0	0	113.8	C306 W307 D308 F316 L359 L360	C306-T357 HydrophobicContact CB-CG2 4.33Å; W307-T357 WeakPolarHBondContact O-CG2 3.15Å; D308-T357 WeakPolarHBondContact CA-OG1 3.26Å; D308-T357 WeakPolarHBondContact OD1-CB 3.08Å; D308-T357 PolarHBondContact OD1-OG1 3.38Å; F316-T357 HydrophobicContact CE1-CG2 4.36Å; F316-T357 HydrophobicContact CZ-CG2 3.93Å; T357-L359 PolarHBondContact O-N 3.36Å; T357-L359 VanDerWaalsContact O-N 3.08Å; T357-L360 VanDerWaalsContact O-CB 3.31Å; T357-L360 WeakPolarHBondContact O-CB 3.2Å; T357-L360 PolarHBondContact O-N 3.21Å; T357-L360 VanDerWaalsContact O-N 3.12Å
358	Y	97.8	Very high	98.1	Very high	1 Å²	1	17 Å²	17	0%	0.004	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-61.7	-20.1	-176.5	84.3	-94.2	0	0	0	113.9	Q296 S356 M432 E433 G474 T478 W482 N488	Q296-Y358 HydrophobicContact CB-CD2 3.94Å; Q296-Y358 HydrophobicContact CB-CG 4.5Å; Q296-Y358 HydrophobicContact CG-CD2 3.76Å; Q296-Y358 HydrophobicContact CG-CE2 4.44Å; Q296-Y358 HydrophobicContact CG-CG 4.34Å; S356-Y358 VanDerWaalsContact C-N 3.3Å; S356-Y358 PolarHBondContact O-N 3.47Å; Y358-M432 HydrophobicContact CD2-CE 3.55Å; Y358-M432 HydrophobicContact CE2-CE 3.72Å; Y358-E433 WeakPolarHBondContact CE2-OE1 3.47Å; Y358-G474 VanDerWaalsContact OH-C 3.27Å; Y358-G474 PolarHBondContact OH-O 2.92Å; Y358-T478 HydrophobicContact CE1-CG2 3.93Å; Y358-W482 HydrophobicContact CD1-CH2 4.2Å; Y358-W482 HydrophobicContact CD1-CZ2 4.48Å; Y358-W482 HydrophobicContact CD2-CH2 4.49Å; Y358-W482 HydrophobicContact CE1-CH2 4.5Å; Y358-W482 HydrophobicContact CG-CH2 4.22Å; Y358-N488 PolarHBondContact OH-ND2 3.25Å
359	L	98.7	Very high	98.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-84.7	-15.1	-179.1	-67	172.3	0	0	0	113.9	N331 M355 S356 T357 M432 E433 N434 W435 N475	N331-L359 PolarHBondContact ND2-O 3.48Å; M355-L359 HydrophobicContact CB-CD1 4.14Å; M355-L359 HydrophobicContact SD-CB 4.41Å; S356-L359 PolarHBondContact O-N 3.08Å; T357-L359 PolarHBondContact O-N 3.36Å; T357-L359 VanDerWaalsContact O-N 3.08Å; L359-M432 HydrophobicContact CD2-CE 4.39Å; L359-E433 HydrophobicContact CD2-CG 3.91Å; L359-N434 WeakPolarHBondContact O-CA 3.5Å; L359-N434 WeakPolarHBondContact O-CB 3.49Å; L359-N434 PolarHBondContact O-ND2 3.46Å; L359-N434 VanDerWaalsContact O-ND2 3.1Å; L359-W435 HydrophobicContact CD1-CE3 4.09Å; L359-W435 PolarHBondContact O-N 3.17Å; L359-N475 HydrophobicContact CD1-CB 4.2Å; L359-N475 WeakPolarHBondContact CD2-OD1 3.33Å
360	L	98.7	Very high	98.1	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	11%	0.105	C	C	.	.			trans	-67.9	138	-179.3	-171.2	70	0	0	0	109.9	L148 L295 F304 F316 V318 N331 M355 T357 F362 N434	L148-L360 HydrophobicContact CD2-CD2 4.04Å; L295-L360 HydrophobicContact CD1-CB 3.89Å; L295-L360 HydrophobicContact CD1-CD2 4.45Å; L295-L360 HydrophobicContact CD1-CG 4.39Å; L295-L360 WeakPolarHBondContact CD1-O 3.35Å; L295-L360 WeakPolarHBondContact CG-O 3.13Å; F304-L360 HydrophobicContact CE1-CD2 3.73Å; F304-L360 HydrophobicContact CZ-CD2 3.67Å; F316-L360 HydrophobicContact CB-CD1 3.78Å; F316-L360 HydrophobicContact CD1-CD1 4.13Å; F316-L360 HydrophobicContact CD1-CD2 3.68Å; F316-L360 HydrophobicContact CD2-CD1 4.5Å; F316-L360 HydrophobicContact CE1-CD2 4Å; F316-L360 HydrophobicContact CG-CD1 3.89Å; F316-L360 HydrophobicContact CG-CD2 4.29Å; V318-L360 HydrophobicContact CG2-CD1 3.84Å; N331-L360 WeakPolarHBondContact OD1-CA 3.32Å; M355-L360 HydrophobicContact CE-CB 4.28Å; M355-L360 HydrophobicContact CE-CD1 3.59Å; T357-L360 VanDerWaalsContact O-CB 3.31Å; T357-L360 WeakPolarHBondContact O-CB 3.2Å; T357-L360 PolarHBondContact O-N 3.21Å; T357-L360 VanDerWaalsContact O-N 3.12Å; L360-F362 HydrophobicContact CD1-CE1 3.92Å; L360-F362 HydrophobicContact CD1-CZ 4.1Å; L360-F362 HydrophobicContact CD2-CE1 4.02Å; L360-F362 HydrophobicContact CD2-CE2 4.21Å; L360-F362 HydrophobicContact CD2-CZ 3.35Å; L360-F362 HydrophobicContact CG-CE1 3.67Å; L360-F362 HydrophobicContact CG-CE2 4.2Å; L360-F362 HydrophobicContact CG-CZ 3.37Å; L360-N434 PolarHBondContact O-ND2 2.93Å
361	A	98.6	Very high	98.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.			trans	-144.7	146.3	-177.1	0	0	0	0	0	112.8	S293 S330 N331 N434 L437 I439	S293-A361 VanDerWaalsContact OG-CA 3.26Å; S293-A361 WeakPolarHBondContact OG-CA 3.39Å; S330-A361 WeakPolarHBondContact CA-O 3.37Å; S330-A361 PolarHBondContact OG-O 3.39Å; N331-A361 PolarHBondContact OD1-N 3.44Å; N331-A361 PolarHBondContact OD1-O 2.87Å; A361-N434 HydrophobicContact CB-CB 3.59Å; A361-L437 HydrophobicContact CB-CD2 4.19Å; A361-I439 HydrophobicContact CB-CD1 4.11Å
362	F	96.5	Very high	98	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	132.5	177.5	-31.8	-74	0	0	0	110.3	L148 L150 S293 L295 V303 V318 L320 L329 L360	L148-F362 HydrophobicContact CD2-CE1 4.29Å; L148-F362 HydrophobicContact CD2-CE2 4.47Å; L148-F362 HydrophobicContact CD2-CZ 3.62Å; L150-F362 HydrophobicContact CD1-CD2 4.06Å; L150-F362 HydrophobicContact CD1-CE1 4.46Å; L150-F362 HydrophobicContact CD1-CE2 3.79Å; L150-F362 HydrophobicContact CD1-CG 4.47Å; L150-F362 HydrophobicContact CD1-CZ 3.96Å; S293-F362 PolarHBondContact N-O 2.86Å; S293-F362 PolarHBondContact OG-N 3.12Å; S293-F362 PolarHBondContact OG-O 3.42Å; L295-F362 HydrophobicContact CD1-CE2 4.34Å; V303-F362 HydrophobicContact CG1-CE2 4.36Å; V318-F362 HydrophobicContact CB-CE1 4.22Å; V318-F362 HydrophobicContact CG1-CD1 3.64Å; V318-F362 HydrophobicContact CG1-CE1 3.42Å; V318-F362 VanDerWaalsContact CG1-CE1 3.42Å; V318-F362 HydrophobicContact CG2-CE1 3.72Å; L320-F362 HydrophobicContact CD1-CB 4.05Å; L320-F362 HydrophobicContact CD1-CD1 4.38Å; L320-F362 HydrophobicContact CD2-CB 4.28Å; L320-F362 HydrophobicContact CD2-CD1 4.11Å; L320-F362 HydrophobicContact CD2-CG 4.29Å; L329-F362 WeakPolarHBondContact O-CA 3.47Å; L360-F362 HydrophobicContact CD1-CE1 3.92Å; L360-F362 HydrophobicContact CD1-CZ 4.1Å; L360-F362 HydrophobicContact CD2-CE1 4.02Å; L360-F362 HydrophobicContact CD2-CE2 4.21Å; L360-F362 HydrophobicContact CD2-CZ 3.35Å; L360-F362 HydrophobicContact CG-CE1 3.67Å; L360-F362 HydrophobicContact CG-CE2 4.2Å; L360-F362 HydrophobicContact CG-CZ 3.37Å
363	V	98.7	Very high	98	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.7	172.5	179.6	0	0	0	0	109.1	A291 S328 L329 V422 L437 I439	A291-V363 CarbonylContact O-C 3.59Å; A291-V363 VanDerWaalsContact O-CA 3.3Å; A291-V363 WeakPolarHBondContact O-CA 3.39Å; S328-V363 CarbonylContact C-O 3.59Å; S328-V363 VanDerWaalsContact CA-O 3.22Å; S328-V363 WeakPolarHBondContact CA-O 3.45Å; L329-V363 HydrophobicContact CB-CB 4.27Å; L329-V363 HydrophobicContact CD1-CB 4.38Å; L329-V363 PolarHBondContact N-O 3.18Å; L329-V363 PolarHBondContact O-N 2.91Å; V363-V422 HydrophobicContact CG2-CG1 4.21Å; V363-L437 HydrophobicContact CG2-CD2 4.36Å; V363-I439 HydrophobicContact CG2-CD1 4.01Å
364	V	98.7	Very high	97.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	113.7	171.2	-178.9	0	0	0	0	107.8	V152 W276 L290 A291 R322 Y326 H327	V152-V364 HydrophobicContact CG1-CB 3.98Å; V152-V364 HydrophobicContact CG1-CG1 3.8Å; V152-V364 HydrophobicContact CG1-CG2 3.94Å; W276-V364 HydrophobicContact CZ2-CG2 3.99Å; L290-V364 WeakPolarHBondContact CA-O 3.44Å; L290-V364 WeakPolarHBondContact CB-O 3.31Å; A291-V364 HydrophobicContact CB-CB 4.5Å; A291-V364 PolarHBondContact N-O 2.96Å; A291-V364 PolarHBondContact O-N 2.92Å; R322-V364 HydrophobicContact CB-CG1 3.96Å; Y326-V364 HydrophobicContact CD1-CG1 3.93Å; Y326-V364 HydrophobicContact CG-CG1 4.1Å; H327-V364 WeakPolarHBondContact O-CA 3.35Å
365	S	97.8	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	175.5	-170.4	80.7	0	0	0	0	112.7	Y326 H327 F367	Y326-S365 WeakPolarHBondContact CA-O 3.26Å; H327-S365 PolarHBondContact CE1-O 2.96Å; H327-S365 PolarHBondContact N-O 3.24Å; H327-S365 PolarHBondContact ND1-O 2.82Å; H327-S365 PolarHBondContact NE2-OG 3.18Å; H327-S365 PolarHBondContact O-N 3.17Å; H327-S365 VanDerWaalsContact O-N 3.09Å; S365-F367 WeakPolarHBondContact OG-CB 3.19Å; S365-F367 VanDerWaalsContact OG-CG 3.26Å; S365-F367 WeakPolarHBondContact OG-CG 3.49Å; S365-F367 PolarHBondContact OG-N 3.44Å
366	Q	96	Very high	97.4	Very high	48 Å²	48	31.3 Å²	31.3	22%	0.224	16%	0.164	C	C	.	.			trans	-107.6	22.2	170.4	-50.5	-165.9	-82.2	0	0	112	D325 Y326	D325-Q366 WeakPolarHBondContact O-CG 3.38Å; D325-Q366 PolarHBondContact O-NE2 3.11Å; Y326-Q366 HydrophobicContact CD1-CG 3.87Å; Y326-Q366 HydrophobicContact CE1-CG 3.85Å; Y326-Q366 HydrophobicContact CG-CG 4.31Å
367	F	98.1	Very high	97.3	Very high	8 Å²	8	34 Å²	34	4%	0.035	19%	0.191	C	C	.	.			trans	-59.6	151.5	180	-71.1	-4.6	0	0	0	114.1	Y281 L290 H327 S365 T384 R385 V422 A423 V424	Y281-F367 HydrophobicContact CD1-CE1 4.19Å; Y281-F367 HydrophobicContact CE1-CD1 4.24Å; Y281-F367 AromaticContact CE1-CE1 3.59Å; Y281-F367 HydrophobicContact CE1-CE1 3.59Å; Y281-F367 AromaticContact CZ-CE1 3.99Å; L290-F367 HydrophobicContact CD1-CE1 4.3Å; L290-F367 HydrophobicContact CD1-CE2 4.06Å; L290-F367 HydrophobicContact CD1-CZ 3.58Å; L290-F367 HydrophobicContact CD2-CE1 4.48Å; L290-F367 HydrophobicContact CD2-CZ 4.35Å; H327-F367 PolarHBondContact CE1-N 2.97Å; H327-F367 PolarHBondContact CE1-O 3.25Å; S365-F367 WeakPolarHBondContact OG-CB 3.19Å; S365-F367 VanDerWaalsContact OG-CG 3.26Å; S365-F367 WeakPolarHBondContact OG-CG 3.49Å; S365-F367 PolarHBondContact OG-N 3.44Å; F367-T384 CarbonylContact C-O 3.57Å; F367-T384 WeakPolarHBondContact CA-O 3.19Å; F367-T384 VanDerWaalsContact CB-O 3.26Å; F367-T384 WeakPolarHBondContact CB-O 3.45Å; F367-R385 HydrophobicContact CD1-CG 4.03Å; F367-R385 HydrophobicContact CE1-CG 3.58Å; F367-R385 HydrophobicContact CZ-CG 4.25Å; F367-V422 HydrophobicContact CD2-CG2 3.77Å; F367-V422 HydrophobicContact CE2-CG2 3.76Å; F367-A423 VanDerWaalsContact CE2-O 3.32Å; F367-A423 WeakPolarHBondContact CE2-O 3.38Å; F367-V424 HydrophobicContact CE2-CG1 4.28Å
368	A	97.9	Very high	97.2	Very high	28 Å²	28	35.3 Å²	35.3	23%	0.231	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	166.8	166.6	0	0	0	0	0	110	W383 T384 I389	A368-W383 WeakPolarHBondContact O-CA 3.5Å; A368-T384 PolarHBondContact N-O 3.49Å; A368-T384 PolarHBondContact O-N 3.49Å; A368-T384 VanDerWaalsContact O-O 3.06Å; A368-I389 HydrophobicContact CB-CD1 4.16Å; A368-I389 HydrophobicContact CB-CG1 4.25Å
369	S	98.3	Very high	97.2	Very high	53 Å²	53	37.8 Å²	37.8	37%	0.371	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	156.6	176	61	0	0	0	0	114.6	V382 W383	S369-V382 WeakPolarHBondContact CA-O 3.46Å; S369-V382 WeakPolarHBondContact CB-O 3.49Å; S369-W383 VanDerWaalsContact CB-CE3 3.45Å; S369-W383 WeakPolarHBondContact OG-CZ3 3.2Å
370	I	98.5	Very high	97.2	Very high	36 Å²	36	37.8 Å²	37.8	19%	0.185	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.8	166.7	53.5	171.7	0	0	0	108.6	T381 V382 I389 A392 K393 L396	I370-T381 WeakPolarHBondContact O-CA 3.1Å; I370-T381 VanDerWaalsContact O-CG2 3.29Å; I370-T381 WeakPolarHBondContact O-CG2 3.41Å; I370-V382 HydrophobicContact CD1-CB 4.49Å; I370-V382 HydrophobicContact CG1-CB 4Å; I370-V382 PolarHBondContact N-O 3.45Å; I370-V382 PolarHBondContact O-N 3.17Å; I370-I389 HydrophobicContact CG1-CD1 4.42Å; I370-I389 HydrophobicContact CG2-CD1 3.96Å; I370-I389 HydrophobicContact CG2-CG1 3.81Å; I370-A392 VanDerWaalsContact CD1-C 3.49Å; I370-A392 HydrophobicContact CD1-CB 3.71Å; I370-A392 HydrophobicContact CG1-CB 4.22Å; I370-K393 HydrophobicContact CD1-CB 4.46Å; I370-K393 HydrophobicContact CD1-CG 4.04Å; I370-L396 HydrophobicContact CB-CD2 4.29Å; I370-L396 HydrophobicContact CD1-CB 3.99Å; I370-L396 HydrophobicContact CD1-CD2 3.9Å; I370-L396 HydrophobicContact CG1-CD2 4.05Å
371	R	97.7	Very high	97.2	Very high	163 Å²	163	38.3 Å²	38.3	62%	0.615	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	141	-175.8	-176.2	172.8	168.8	-171.4	-6	110.7	N379 T381	R371-N379 PolarHBondContact NE-OD1 3.15Å; R371-N379 PolarHBondContact NH2-ND2 3.13Å; R371-N379 PolarHBondContact NH2-OD1 3.44Å; R371-T381 HydrophobicContact CB-CG2 4.24Å
372	G	97.7	Very high	97.2	Very high	13 Å²	13	38.3 Å²	38.3	13%	0.134	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	177.6	168.7	0	0	0	0	0	111.3	F380	G372-F380 PolarHBondContact N-O 3.1Å; G372-F380 PolarHBondContact O-N 3.42Å
373	I	97.7	Very high	97.3	Very high	88 Å²	88	40.3 Å²	40.3	45%	0.451	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.2	173.5	-59.1	-63.9	0	0	0	107.2	G377 R378 N379 K400	I373-G377 VanDerWaalsContact CG2-CA 3.44Å; I373-R378 WeakPolarHBondContact CA-O 3.26Å; I373-N379 VanDerWaalsContact CD1-OD1 3.29Å; I373-N379 WeakPolarHBondContact CD1-OD1 3.08Å; I373-K400 WeakPolarHBondContact O-CE 3.24Å
374	D	95.5	Very high	97.3	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.053	22%	0.22	C	C	.	.			trans	-76.1	179.9	177.3	76.1	6.4	0	0	0	112.5	K376 G377 R378 K400	D374-K376 PolarHBondContact O-N 3.45Å; D374-K376 VanDerWaalsContact O-N 3.08Å; D374-K376 WeakPolarHBondContact OD1-CA 3.5Å; D374-K376 PolarHBondContact OD1-N 3.21Å; D374-G377 PolarHBondContact O-N 3.35Å; D374-G377 VanDerWaalsContact O-N 3.13Å; D374-G377 PolarHBondContact OD1-N 3.47Å; D374-G377 VanDerWaalsContact OD1-N 3.1Å; D374-R378 PolarHBondContact N-O 3.26Å; D374-R378 WeakPolarHBondContact OD1-CB 3.26Å; D374-R378 PolarHBondContact OD1-N 3.07Å; D374-R378 IonicContact OD1-NE 2.63Å; D374-R378 IonicContact OD2-CZ 3.25Å; D374-R378 IonicContact OD2-NE 4Å; D374-R378 PolarHBondContact OD2-NE 2.87Å; D374-R378 IonicContact OD2-NH2 3.19Å; D374-R378 PolarHBondContact OD2-NH2 3.09Å; D374-K400 HydrophobicContact CB-CG 4.48Å
375	S	92.5	Very high	97.2	Very high	82 Å²	82	41.7 Å²	41.7	57%	0.573	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.1	-177.7	62.1	0	0	0	0	114.5
376	K	94.1	Very high	97	Very high	123 Å²	123	44.3 Å²	44.3	54%	0.535	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	8	178.8	-59.5	-58.2	-176.9	-170.3	0	113.1	D374 R378	D374-K376 PolarHBondContact O-N 3.45Å; D374-K376 VanDerWaalsContact O-N 3.08Å; D374-K376 WeakPolarHBondContact OD1-CA 3.5Å; D374-K376 PolarHBondContact OD1-N 3.21Å; K376-R378 HydrophobicContact CB-CG 4.42Å
377	G	96	Very high	96.7	Very high	56 Å²	56	45.7 Å²	45.7	58%	0.577	25%	0.253	S	S	*	.	S	Bend	trans	81.7	14.1	178.2	0	0	0	0	0	114	I373 D374	I373-G377 VanDerWaalsContact CG2-CA 3.44Å; D374-G377 PolarHBondContact O-N 3.35Å; D374-G377 VanDerWaalsContact O-N 3.13Å; D374-G377 PolarHBondContact OD1-N 3.47Å; D374-G377 VanDerWaalsContact OD1-N 3.1Å
378	R	96.5	Very high	96.4	Very high	31 Å²	31	47.4 Å²	47.4	12%	0.117	26%	0.26	C	S	.	.			trans	-90.9	153	179.8	-57	176.6	-66.2	-137.9	-5.1	110.9	I373 D374 K376 E407 Y414 L416 R417	I373-R378 WeakPolarHBondContact CA-O 3.26Å; D374-R378 PolarHBondContact N-O 3.26Å; D374-R378 WeakPolarHBondContact OD1-CB 3.26Å; D374-R378 PolarHBondContact OD1-N 3.07Å; D374-R378 IonicContact OD1-NE 2.63Å; D374-R378 IonicContact OD2-CZ 3.25Å; D374-R378 IonicContact OD2-NE 4Å; D374-R378 PolarHBondContact OD2-NE 2.87Å; D374-R378 IonicContact OD2-NH2 3.19Å; D374-R378 PolarHBondContact OD2-NH2 3.09Å; K376-R378 HydrophobicContact CB-CG 4.42Å; R378-E407 IonicContact CZ-OE1 3.45Å; R378-E407 IonicContact CZ-OE2 2.79Å; R378-E407 IonicContact NH1-OE1 3.93Å; R378-E407 PolarHBondContact NH1-OE1 3.48Å; R378-E407 IonicContact NH1-OE2 2.89Å; R378-E407 PolarHBondContact NH1-OE2 3.08Å; R378-E407 IonicContact NH2-OE1 3.9Å; R378-E407 IonicContact NH2-OE2 3.54Å; R378-E407 PolarHBondContact NH2-OE2 3.33Å; R378-Y414 PolarHBondContact NH1-O 3.43Å; R378-L416 WeakPolarHBondContact CD-O 3.37Å; R378-R417 WeakPolarHBondContact CB-O 3.43Å
379	N	97.8	Very high	96.3	Very high	52 Å²	52	47.6 Å²	47.6	28%	0.278	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.4	177.7	-68.9	-29.1	0	0	0	110.9	R371 I373 R417 K418 T419	R371-N379 PolarHBondContact NE-OD1 3.15Å; R371-N379 PolarHBondContact NH2-ND2 3.13Å; R371-N379 PolarHBondContact NH2-OD1 3.44Å; I373-N379 VanDerWaalsContact CD1-OD1 3.29Å; I373-N379 WeakPolarHBondContact CD1-OD1 3.08Å; N379-R417 PolarHBondContact N-O 3.39Å; N379-K418 HydrophobicContact CB-CB 4.08Å; N379-K418 CarbonylContact O-C 3.4Å; N379-K418 VanDerWaalsContact O-CA 3.25Å; N379-K418 WeakPolarHBondContact O-CA 3.38Å; N379-T419 PolarHBondContact O-N 3.03Å
380	F	98.5	Very high	96	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.8	170.9	-158.1	-66.9	0	0	0	108.6	G372 V382 L396 K400 I403 T419 M421	G372-F380 PolarHBondContact N-O 3.1Å; G372-F380 PolarHBondContact O-N 3.42Å; F380-V382 HydrophobicContact CE1-CG2 4.31Å; F380-L396 HydrophobicContact CB-CD1 4.36Å; F380-L396 HydrophobicContact CD1-CD1 3.66Å; F380-L396 HydrophobicContact CE1-CD1 4.45Å; F380-L396 HydrophobicContact CG-CD1 4.39Å; F380-L396 WeakPolarHBondContact O-CD1 3.25Å; F380-K400 HydrophobicContact CB-CD 4.42Å; F380-K400 HydrophobicContact CB-CG 3.77Å; F380-K400 HydrophobicContact CD1-CG 4.19Å; F380-K400 HydrophobicContact CD2-CG 4.01Å; F380-K400 HydrophobicContact CG-CG 3.72Å; F380-I403 HydrophobicContact CD2-CG2 4.44Å; F380-I403 HydrophobicContact CE2-CG2 4.26Å; F380-T419 CarbonylContact C-O 3.59Å; F380-T419 VanDerWaalsContact CA-O 3.29Å; F380-T419 WeakPolarHBondContact CA-O 3.37Å; F380-T419 HydrophobicContact CD2-CG2 4.09Å; F380-T419 HydrophobicContact CE2-CG2 3.63Å; F380-T419 HydrophobicContact CZ-CG2 3.92Å; F380-M421 HydrophobicContact CE1-CG 3.98Å; F380-M421 HydrophobicContact CE1-SD 3.44Å; F380-M421 WeakPolarHBondContact CE1-SD 3.09Å; F380-M421 HydrophobicContact CZ-CG 4.07Å; F380-M421 HydrophobicContact CZ-SD 3.49Å; F380-M421 WeakPolarHBondContact CZ-SD 3.48Å
381	T	98.7	Very high	95.8	Very high	13 Å²	13	48.9 Å²	48.9	8%	0.08	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	143.9	-176.8	-30.8	0	0	0	0	110.8	I370 R371 W383 T419 D420 M421	I370-T381 WeakPolarHBondContact O-CA 3.1Å; I370-T381 VanDerWaalsContact O-CG2 3.29Å; I370-T381 WeakPolarHBondContact O-CG2 3.41Å; R371-T381 HydrophobicContact CB-CG2 4.24Å; T381-W383 HydrophobicContact CG2-CZ2 3.94Å; T381-T419 PolarHBondContact N-O 3.22Å; T381-D420 WeakPolarHBondContact CB-OD1 3.21Å; T381-D420 CarbonylContact O-C 3.37Å; T381-D420 WeakPolarHBondContact O-CA 3.44Å; T381-D420 PolarHBondContact OG1-OD1 2.96Å; T381-M421 PolarHBondContact O-N 2.81Å
382	V	98.8	Very high	95.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.6	171.5	-175.1	0	0	0	0	109.3	S369 I370 F380 A392 L396 M421 M445	S369-V382 WeakPolarHBondContact CA-O 3.46Å; S369-V382 WeakPolarHBondContact CB-O 3.49Å; I370-V382 HydrophobicContact CD1-CB 4.49Å; I370-V382 HydrophobicContact CG1-CB 4Å; I370-V382 PolarHBondContact N-O 3.45Å; I370-V382 PolarHBondContact O-N 3.17Å; F380-V382 HydrophobicContact CE1-CG2 4.31Å; V382-A392 HydrophobicContact CB-CB 4.38Å; V382-A392 HydrophobicContact CG1-CB 3.74Å; V382-L396 HydrophobicContact CG2-CB 3.74Å; V382-L396 HydrophobicContact CG2-CD1 4.08Å; V382-M421 CarbonylContact C-O 3.59Å; V382-M421 VanDerWaalsContact CA-O 3.31Å; V382-M421 WeakPolarHBondContact CA-O 3.3Å; V382-M421 HydrophobicContact CG1-CB 4.49Å; V382-M421 HydrophobicContact CG2-CB 4.3Å; V382-M421 HydrophobicContact CG2-SD 4.46Å; V382-M445 HydrophobicContact CG1-CE 3.3Å; V382-M445 HydrophobicContact CG1-SD 3.99Å
383	W	98.8	Very high	95.8	Very high	41 Å²	41	46 Å²	46	16%	0.155	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.8	-176.7	-57.7	83	0	0	0	110.5	H327 L329 A368 S369 T381 D420 M421 V422 A423	H327-W383 AromaticContact CD2-CZ3 3.65Å; H327-W383 AromaticContact CE1-CZ3 3.86Å; H327-W383 AromaticContact NE2-CE3 3.38Å; H327-W383 AromaticContact NE2-CZ3 3.38Å; H327-W383 WeakPolarHBondContact NE2-CZ3 3.29Å; L329-W383 HydrophobicContact CD1-CB 4.15Å; L329-W383 HydrophobicContact CD1-CD2 3.76Å; L329-W383 HydrophobicContact CD1-CE3 4.3Å; L329-W383 HydrophobicContact CD1-CG 3.65Å; L329-W383 HydrophobicContact CD2-CD2 3.88Å; L329-W383 VanDerWaalsContact CD2-CE2 3.48Å; L329-W383 HydrophobicContact CD2-CE3 4.24Å; L329-W383 HydrophobicContact CD2-CH2 3.97Å; L329-W383 HydrophobicContact CD2-CZ2 3.54Å; L329-W383 HydrophobicContact CD2-CZ3 4.29Å; L329-W383 HydrophobicContact CG-CD2 4.45Å; A368-W383 WeakPolarHBondContact O-CA 3.5Å; S369-W383 VanDerWaalsContact CB-CE3 3.45Å; S369-W383 WeakPolarHBondContact OG-CZ3 3.2Å; T381-W383 HydrophobicContact CG2-CZ2 3.94Å; W383-D420 PolarHBondContact NE1-OD1 3.2Å; W383-M421 PolarHBondContact N-O 3.37Å; W383-V422 HydrophobicContact CB-CB 4.01Å; W383-V422 HydrophobicContact CB-CG2 3.87Å; W383-V422 WeakPolarHBondContact O-CA 3.42Å; W383-A423 PolarHBondContact O-N 3.31Å
384	T	97.9	Very high	95.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	178.2	173.3	-169.5	0	0	0	0	109.9	F367 A368 K388 I389 A392 L446	F367-T384 CarbonylContact C-O 3.57Å; F367-T384 WeakPolarHBondContact CA-O 3.19Å; F367-T384 VanDerWaalsContact CB-O 3.26Å; F367-T384 WeakPolarHBondContact CB-O 3.45Å; A368-T384 PolarHBondContact N-O 3.49Å; A368-T384 PolarHBondContact O-N 3.49Å; A368-T384 VanDerWaalsContact O-O 3.06Å; T384-K388 HydrophobicContact CG2-CB 4.26Å; T384-I389 HydrophobicContact CG2-CD1 3.9Å; T384-A392 HydrophobicContact CG2-CB 4.13Å; T384-L446 HydrophobicContact CG2-CD2 4.17Å
385	R	95.5	Very high	96	Very high	30 Å²	30	43 Å²	43	11%	0.113	23%	0.232	C	C	.	.			trans	-59.6	147.5	175.7	-58.2	-174.4	-72	149.6	-12.5	111.6	Y281 F367 D387 K388 I389 E442	Y281-R385 HydrophobicContact CD1-CG 4.33Å; Y281-R385 HydrophobicContact CD2-CG 3.91Å; Y281-R385 HydrophobicContact CE1-CG 4.35Å; Y281-R385 HydrophobicContact CE2-CB 4.36Å; Y281-R385 HydrophobicContact CE2-CG 3.86Å; Y281-R385 HydrophobicContact CG-CG 4.12Å; F367-R385 HydrophobicContact CD1-CG 4.03Å; F367-R385 HydrophobicContact CE1-CG 3.58Å; F367-R385 HydrophobicContact CZ-CG 4.25Å; R385-D387 WeakPolarHBondContact CB-OD1 3.37Å; R385-D387 IonicContact NH1-OD1 3.99Å; R385-D387 IonicContact NH1-OD2 2.68Å; R385-D387 PolarHBondContact O-N 3.47Å; R385-K388 PolarHBondContact O-N 3.44Å; R385-I389 PolarHBondContact O-N 2.89Å; R385-E442 IonicContact CZ-OE1 3.03Å; R385-E442 IonicContact CZ-OE2 3.9Å; R385-E442 IonicContact NE-OE1 3.78Å; R385-E442 PolarHBondContact NE-OE1 3.32Å; R385-E442 IonicContact NE-OE2 2.6Å; R385-E442 IonicContact NH2-OE1 2.81Å; R385-E442 PolarHBondContact NH2-OE1 3.06Å; R385-E442 IonicContact NH2-OE2 3.22Å; R385-E442 PolarHBondContact NH2-OE2 3.21Å
386	S	93.8	Very high	96.2	Very high	55 Å²	55	39.8 Å²	39.8	39%	0.385	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-57.2	-37.6	-174.4	-53.5	0	0	0	0	112.9	E283 K388 I389	E283-S386 PolarHBondContact OE1-OG 3.01Å; S386-K388 VanDerWaalsContact C-N 3.29Å; S386-K388 PolarHBondContact O-N 3.08Å; S386-I389 VanDerWaalsContact O-CG2 3.3Å; S386-I389 WeakPolarHBondContact O-CG2 3.45Å
387	D	90.7	Very high	96.4	Very high	78 Å²	78	37.9 Å²	37.9	42%	0.417	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-70.5	-21.6	179.2	66	-56.1	0	0	0	113.6	R385	R385-D387 WeakPolarHBondContact CB-OD1 3.37Å; R385-D387 IonicContact NH1-OD1 3.99Å; R385-D387 IonicContact NH1-OD2 2.68Å; R385-D387 PolarHBondContact O-N 3.47Å
388	K	91.2	Very high	96.6	Very high	44 Å²	44	35.4 Å²	35.4	19%	0.191	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-103.8	0.9	-178.9	-57.6	-55.9	-175.9	-167.4	0	114.2	T384 R385 S386 N390 S391 L446	T384-K388 HydrophobicContact CG2-CB 4.26Å; R385-K388 PolarHBondContact O-N 3.44Å; S386-K388 VanDerWaalsContact C-N 3.29Å; S386-K388 PolarHBondContact O-N 3.08Å; K388-N390 PolarHBondContact O-N 2.91Å; K388-S391 WeakPolarHBondContact O-CB 3.47Å; K388-S391 PolarHBondContact O-N 3.48Å; K388-L446 HydrophobicContact CB-CD1 3.9Å; K388-L446 HydrophobicContact CG-CD1 4.35Å
389	I	95.2	Very high	96.7	Very high	32 Å²	32	33.9 Å²	33.9	16%	0.164	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-59.6	-28.3	-171.2	-162.4	58.1	0	0	0	114	A368 I370 T384 R385 S386 S391 A392	A368-I389 HydrophobicContact CB-CD1 4.16Å; A368-I389 HydrophobicContact CB-CG1 4.25Å; I370-I389 HydrophobicContact CG1-CD1 4.42Å; I370-I389 HydrophobicContact CG2-CD1 3.96Å; I370-I389 HydrophobicContact CG2-CG1 3.81Å; T384-I389 HydrophobicContact CG2-CD1 3.9Å; R385-I389 PolarHBondContact O-N 2.89Å; S386-I389 VanDerWaalsContact O-CG2 3.3Å; S386-I389 WeakPolarHBondContact O-CG2 3.45Å; I389-S391 VanDerWaalsContact C-N 3.33Å; I389-S391 PolarHBondContact O-N 2.71Å; I389-A392 WeakPolarHBondContact O-CB 3.48Å; I389-A392 PolarHBondContact O-N 3.22Å
390	N	92.8	Very high	96.7	Very high	97 Å²	97	33 Å²	33	52%	0.519	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-68	-32.6	176.5	-78.4	-41.8	0	0	0	112.9	K388 A392 K393	K388-N390 PolarHBondContact O-N 2.91Å; N390-A392 PolarHBondContact O-N 2.81Å; N390-K393 WeakPolarHBondContact O-CG 3.47Å; N390-K393 PolarHBondContact OD1-NZ 3.14Å
391	S	94.6	Very high	96.7	Very high	18 Å²	18	38.2 Å²	38.2	13%	0.126	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-77.2	-7.2	178.6	-48	0	0	0	0	113	K388 I389 W447	K388-S391 WeakPolarHBondContact O-CB 3.47Å; K388-S391 PolarHBondContact O-N 3.48Å; I389-S391 VanDerWaalsContact C-N 3.33Å; I389-S391 PolarHBondContact O-N 2.71Å; S391-W447 WeakPolarHBondContact CA-O 3.46Å; S391-W447 PolarHBondContact O-N 3.22Å; S391-W447 VanDerWaalsContact O-O 3.05Å
392	A	97	Very high	96.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-82.2	-15	176.2	0	0	0	0	0	113.5	I370 V382 T384 I389 N390 Y394 A395 L396 L446	I370-A392 VanDerWaalsContact CD1-C 3.49Å; I370-A392 HydrophobicContact CD1-CB 3.71Å; I370-A392 HydrophobicContact CG1-CB 4.22Å; V382-A392 HydrophobicContact CB-CB 4.38Å; V382-A392 HydrophobicContact CG1-CB 3.74Å; T384-A392 HydrophobicContact CG2-CB 4.13Å; I389-A392 WeakPolarHBondContact O-CB 3.48Å; I389-A392 PolarHBondContact O-N 3.22Å; N390-A392 PolarHBondContact O-N 2.81Å; A392-Y394 VanDerWaalsContact C-N 3.34Å; A392-Y394 PolarHBondContact O-N 3.35Å; A392-A395 WeakPolarHBondContact O-CB 3.36Å; A392-A395 PolarHBondContact O-N 3.41Å; A392-L396 PolarHBondContact O-N 3.13Å; A392-L446 HydrophobicContact CB-CD2 4Å
393	K	98.1	Very high	96.7	Very high	117 Å²	117	37.6 Å²	37.6	51%	0.509	18%	0.182	S	C	.	.	H	α-helix	trans	-60.9	-40.6	-173.7	-70.3	173.5	-176.6	162.7	0	113.1	I370 N390 L396 E397	I370-K393 HydrophobicContact CD1-CB 4.46Å; I370-K393 HydrophobicContact CD1-CG 4.04Å; N390-K393 WeakPolarHBondContact O-CG 3.47Å; N390-K393 PolarHBondContact OD1-NZ 3.14Å; K393-L396 PolarHBondContact O-N 3.02Å; K393-E397 PolarHBondContact O-N 3.07Å
394	Y	98	Very high	96.6	Very high	35 Å²	35	35.8 Å²	35.8	14%	0.137	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-43.9	177.9	-178.2	-111	0	0	0	111	A392 L396 E397 T398 W447 Q457 V460 A461 H504 W507	A392-Y394 VanDerWaalsContact C-N 3.34Å; A392-Y394 PolarHBondContact O-N 3.35Å; Y394-L396 VanDerWaalsContact C-N 3.35Å; Y394-L396 PolarHBondContact O-N 3.04Å; Y394-E397 PolarHBondContact O-N 3.48Å; Y394-T398 WeakPolarHBondContact O-CB 3.35Å; Y394-T398 PolarHBondContact O-N 3.3Å; Y394-T398 PolarHBondContact O-OG1 2.52Å; Y394-T398 VanDerWaalsContact O-OG1 3.05Å; Y394-W447 HydrophobicContact CD1-CB 4.27Å; Y394-W447 HydrophobicContact CD1-CE3 4.18Å; Y394-W447 HydrophobicContact CD2-CE3 4.35Å; Y394-W447 HydrophobicContact CD2-CZ3 4.43Å; Y394-W447 AromaticContact CG-CE3 3.9Å; Y394-W447 HydrophobicContact CG-CE3 3.9Å; Y394-W447 HydrophobicContact CG-CZ3 4.43Å; Y394-Q457 HydrophobicContact CD1-CG 4.37Å; Y394-Q457 HydrophobicContact CE1-CG 3.74Å; Y394-Q457 HydrophobicContact CE2-CG 4.3Å; Y394-V460 HydrophobicContact CD1-CG1 3.91Å; Y394-V460 HydrophobicContact CE1-CB 4.5Å; Y394-V460 HydrophobicContact CE1-CG1 4.14Å; Y394-A461 HydrophobicContact CE1-CB 4.31Å; Y394-H504 AromaticContact CE2-NE2 3.8Å; Y394-H504 AromaticContact CZ-NE2 3.74Å; Y394-H504 PolarHBondContact OH-CD2 2.74Å; Y394-H504 PolarHBondContact OH-NE2 3.44Å; Y394-W507 WeakPolarHBondContact OH-CH2 3.45Å
395	A	98.6	Very high	96.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-43.5	176.6	0	0	0	0	0	112.8	A392 E397 T398 G399 M421 M445 I464	A392-A395 WeakPolarHBondContact O-CB 3.36Å; A392-A395 PolarHBondContact O-N 3.41Å; A395-E397 PolarHBondContact O-N 3.06Å; A395-T398 PolarHBondContact O-N 3.04Å; A395-G399 PolarHBondContact O-N 3.14Å; A395-M421 HydrophobicContact CB-CE 4.02Å; A395-M445 HydrophobicContact CB-CG 3.88Å; A395-M445 WeakPolarHBondContact CB-O 3.37Å; A395-I464 HydrophobicContact CB-CD1 3.67Å
396	L	98.7	Very high	96.8	Very high	13 Å²	13	36 Å²	36	7%	0.068	18%	0.178	C	C	.	.	H	α-helix	trans	-57.5	-51.4	176.8	175.6	61.3	0	0	0	111.3	I370 F380 V382 A392 K393 Y394 K400	I370-L396 HydrophobicContact CB-CD2 4.29Å; I370-L396 HydrophobicContact CD1-CB 3.99Å; I370-L396 HydrophobicContact CD1-CD2 3.9Å; I370-L396 HydrophobicContact CG1-CD2 4.05Å; F380-L396 HydrophobicContact CB-CD1 4.36Å; F380-L396 HydrophobicContact CD1-CD1 3.66Å; F380-L396 HydrophobicContact CE1-CD1 4.45Å; F380-L396 HydrophobicContact CG-CD1 4.39Å; F380-L396 WeakPolarHBondContact O-CD1 3.25Å; V382-L396 HydrophobicContact CG2-CB 3.74Å; V382-L396 HydrophobicContact CG2-CD1 4.08Å; A392-L396 PolarHBondContact O-N 3.13Å; K393-L396 PolarHBondContact O-N 3.02Å; Y394-L396 VanDerWaalsContact C-N 3.35Å; Y394-L396 PolarHBondContact O-N 3.04Å; L396-K400 HydrophobicContact CD1-CD 3.8Å; L396-K400 HydrophobicContact CD1-CG 4.37Å; L396-K400 HydrophobicContact CG-CD 4.01Å; L396-K400 VanDerWaalsContact O-CD 3.24Å; L396-K400 WeakPolarHBondContact O-CD 3.35Å; L396-K400 VanDerWaalsContact O-CG 3.23Å; L396-K400 WeakPolarHBondContact O-CG 3.35Å; L396-K400 PolarHBondContact O-N 3.08Å
397	E	98.3	Very high	97	Very high	84 Å²	84	34.1 Å²	34.1	39%	0.393	16%	0.163	S	C	.	.	H	α-helix	trans	-69.5	-38.6	-177.5	-68.1	-52.4	127.3	0	0	112.8	K393 Y394 A395 K400 K401	K393-E397 PolarHBondContact O-N 3.07Å; Y394-E397 PolarHBondContact O-N 3.48Å; A395-E397 PolarHBondContact O-N 3.06Å; E397-K400 IonicContact OE1-NZ 3.24Å; E397-K400 PolarHBondContact OE1-NZ 2.96Å; E397-K400 IonicContact OE2-NZ 3.81Å; E397-K400 PolarHBondContact OE2-NZ 2.78Å; E397-K401 WeakPolarHBondContact O-CG 3.32Å; E397-K401 PolarHBondContact O-N 3.16Å
398	T	98.7	Very high	97.3	Very high	3 Å²	3	36 Å²	36	2%	0.018	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-49.1	177.1	-62.8	0	0	0	0	111.2	Y394 A395 K400 K401 I402 A461 I464	Y394-T398 WeakPolarHBondContact O-CB 3.35Å; Y394-T398 PolarHBondContact O-N 3.3Å; Y394-T398 PolarHBondContact O-OG1 2.52Å; Y394-T398 VanDerWaalsContact O-OG1 3.05Å; A395-T398 PolarHBondContact O-N 3.04Å; T398-K400 PolarHBondContact O-N 3.38Å; T398-K401 PolarHBondContact O-N 2.75Å; T398-I402 HydrophobicContact CG2-CD1 3.57Å; T398-I402 HydrophobicContact CG2-CG1 4.3Å; T398-I402 WeakPolarHBondContact O-CG1 3.45Å; T398-I402 PolarHBondContact O-N 3.22Å; T398-A461 HydrophobicContact CG2-CB 4.23Å; T398-I464 HydrophobicContact CG2-CB 4.5Å; T398-I464 HydrophobicContact CG2-CD1 4.41Å; T398-I464 HydrophobicContact CG2-CG2 4.24Å
399	G	98.7	Very high	97.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.2	-42.9	179.6	0	0	0	0	0	113.2	A395 K401 I402 I403	A395-G399 PolarHBondContact O-N 3.14Å; G399-K401 PolarHBondContact O-N 3.39Å; G399-I402 PolarHBondContact O-N 2.87Å; G399-I403 WeakPolarHBondContact O-CG2 3.45Å; G399-I403 PolarHBondContact O-N 3.14Å
400	K	98.4	Very high	97.8	Very high	34 Å²	34	34 Å²	34	15%	0.148	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-41.3	175.5	-74.1	161	60.4	-150	0	113.2	I373 D374 F380 L396 E397 T398 I403 G404	I373-K400 WeakPolarHBondContact O-CE 3.24Å; D374-K400 HydrophobicContact CB-CG 4.48Å; F380-K400 HydrophobicContact CB-CD 4.42Å; F380-K400 HydrophobicContact CB-CG 3.77Å; F380-K400 HydrophobicContact CD1-CG 4.19Å; F380-K400 HydrophobicContact CD2-CG 4.01Å; F380-K400 HydrophobicContact CG-CG 3.72Å; L396-K400 HydrophobicContact CD1-CD 3.8Å; L396-K400 HydrophobicContact CD1-CG 4.37Å; L396-K400 HydrophobicContact CG-CD 4.01Å; L396-K400 VanDerWaalsContact O-CD 3.24Å; L396-K400 WeakPolarHBondContact O-CD 3.35Å; L396-K400 VanDerWaalsContact O-CG 3.23Å; L396-K400 WeakPolarHBondContact O-CG 3.35Å; L396-K400 PolarHBondContact O-N 3.08Å; E397-K400 IonicContact OE1-NZ 3.24Å; E397-K400 PolarHBondContact OE1-NZ 2.96Å; E397-K400 IonicContact OE2-NZ 3.81Å; E397-K400 PolarHBondContact OE2-NZ 2.78Å; T398-K400 PolarHBondContact O-N 3.38Å; K400-I403 WeakPolarHBondContact O-CG2 3.49Å; K400-G404 PolarHBondContact O-N 2.86Å
401	K	98.6	Very high	98	Very high	108 Å²	108	34.1 Å²	34.1	47%	0.47	16%	0.156	S	C	.	.	H	α-helix	trans	-70.6	-46.3	-179.8	-72.7	174.3	-178.3	179.9	0	110.9	E397 T398 G399 G404 F405 V503	E397-K401 WeakPolarHBondContact O-CG 3.32Å; E397-K401 PolarHBondContact O-N 3.16Å; T398-K401 PolarHBondContact O-N 2.75Å; G399-K401 PolarHBondContact O-N 3.39Å; K401-G404 PolarHBondContact O-N 3.19Å; K401-F405 WeakPolarHBondContact O-CB 3.38Å; K401-F405 PolarHBondContact O-N 3.27Å; K401-V503 HydrophobicContact CB-CG2 3.9Å; K401-V503 HydrophobicContact CD-CG1 4.05Å; K401-V503 HydrophobicContact CD-CG2 4.37Å
402	I	98.7	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-43	-176.8	-64.3	175.7	0	0	0	111.1	T398 G399 G404 F405 F406 I464 V468 V503	T398-I402 HydrophobicContact CG2-CD1 3.57Å; T398-I402 HydrophobicContact CG2-CG1 4.3Å; T398-I402 WeakPolarHBondContact O-CG1 3.45Å; T398-I402 PolarHBondContact O-N 3.22Å; G399-I402 PolarHBondContact O-N 2.87Å; I402-G404 VanDerWaalsContact C-N 3.32Å; I402-G404 PolarHBondContact O-N 3.45Å; I402-F405 PolarHBondContact O-N 3.05Å; I402-F406 HydrophobicContact CG2-CD2 3.76Å; I402-F406 HydrophobicContact CG2-CE1 4.44Å; I402-F406 HydrophobicContact CG2-CE2 3.51Å; I402-F406 HydrophobicContact CG2-CG 4.29Å; I402-F406 HydrophobicContact CG2-CZ 3.89Å; I402-F406 PolarHBondContact O-N 3.43Å; I402-I464 HydrophobicContact CD1-CG2 4.38Å; I402-V468 HydrophobicContact CG2-CB 4.04Å; I402-V468 HydrophobicContact CG2-CG1 3.88Å; I402-V503 HydrophobicContact CD1-CG2 4.22Å; I402-V503 HydrophobicContact CG1-CG2 3.57Å
403	I	98.2	Very high	98.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-41.3	179.5	-159.4	168.6	0	0	0	111.6	F380 G399 K400 F406 E407 Y414 V468 W472	F380-I403 HydrophobicContact CD2-CG2 4.44Å; F380-I403 HydrophobicContact CE2-CG2 4.26Å; G399-I403 WeakPolarHBondContact O-CG2 3.45Å; G399-I403 PolarHBondContact O-N 3.14Å; K400-I403 WeakPolarHBondContact O-CG2 3.49Å; I403-F406 PolarHBondContact O-N 2.83Å; I403-E407 WeakPolarHBondContact O-CG 3.39Å; I403-E407 PolarHBondContact O-N 3.23Å; I403-E407 VanDerWaalsContact O-N 3.16Å; I403-Y414 HydrophobicContact CD1-CD1 3.57Å; I403-Y414 HydrophobicContact CD1-CD2 4Å; I403-Y414 HydrophobicContact CD1-CE1 3.57Å; I403-Y414 HydrophobicContact CD1-CE2 4.04Å; I403-Y414 HydrophobicContact CD1-CG 3.76Å; I403-Y414 HydrophobicContact CG1-CD1 4.3Å; I403-Y414 HydrophobicContact CG1-CD2 4.46Å; I403-Y414 HydrophobicContact CG1-CG 4.13Å; I403-V468 HydrophobicContact CB-CG1 3.78Å; I403-V468 HydrophobicContact CG1-CG1 3.98Å; I403-W472 HydrophobicContact CG1-CH2 4.27Å
404	G	97.7	Very high	98	Very high	4 Å²	4	33 Å²	33	4%	0.041	16%	0.159	C	C	.	.	H	α-helix	trans	-65.5	-40.7	175.5	0	0	0	0	0	112.4	K400 K401 I402 E407 E408	K400-G404 PolarHBondContact O-N 2.86Å; K401-G404 PolarHBondContact O-N 3.19Å; I402-G404 VanDerWaalsContact C-N 3.32Å; I402-G404 PolarHBondContact O-N 3.45Å; G404-E407 PolarHBondContact O-N 3.46Å; G404-E408 PolarHBondContact O-N 2.99Å
405	F	98.5	Very high	97.9	Very high	34 Å²	34	33.3 Å²	33.3	15%	0.149	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-44.1	176.2	169.5	-112.9	0	0	0	112.5	K401 I402 E407 E408 Y409 I498 H502	K401-F405 WeakPolarHBondContact O-CB 3.38Å; K401-F405 PolarHBondContact O-N 3.27Å; I402-F405 PolarHBondContact O-N 3.05Å; F405-E407 VanDerWaalsContact C-N 3.32Å; F405-E407 PolarHBondContact O-N 3.23Å; F405-E408 CarbonylContact O-C 3.57Å; F405-E408 WeakPolarHBondContact O-CB 3.49Å; F405-E408 PolarHBondContact O-N 3.28Å; F405-E408 VanDerWaalsContact O-N 3.09Å; F405-Y409 HydrophobicContact CE1-CD2 4.34Å; F405-Y409 HydrophobicContact CE1-CG 4.44Å; F405-Y409 HydrophobicContact CE2-CD2 4.17Å; F405-Y409 AromaticContact CZ-CD2 3.64Å; F405-Y409 HydrophobicContact CZ-CD2 3.64Å; F405-Y409 HydrophobicContact CZ-CE2 4.48Å; F405-Y409 HydrophobicContact CZ-CG 4.1Å; F405-Y409 WeakPolarHBondContact O-CB 3.47Å; F405-Y409 PolarHBondContact O-N 2.79Å; F405-I498 HydrophobicContact CE1-CG2 3.84Å; F405-I498 WeakPolarHBondContact CE1-O 3.34Å; F405-I498 HydrophobicContact CZ-CG2 3.91Å; F405-H502 VanDerWaalsContact CB-CD2 3.45Å; F405-H502 WeakPolarHBondContact CB-CD2 3.32Å; F405-H502 HydrophobicContact CD1-CB 3.65Å; F405-H502 AromaticContact CD1-CG 3.82Å; F405-H502 HydrophobicContact CD2-CB 3.95Å; F405-H502 AromaticContact CD2-CD2 3.94Å; F405-H502 AromaticContact CD2-CE1 3.67Å; F405-H502 AromaticContact CD2-CG 3.42Å; F405-H502 VanDerWaalsContact CD2-CG 3.42Å; F405-H502 AromaticContact CD2-ND1 3.25Å; F405-H502 VanDerWaalsContact CD2-ND1 3.25Å; F405-H502 WeakPolarHBondContact CD2-ND1 3.33Å; F405-H502 HydrophobicContact CE1-CB 3.71Å; F405-H502 HydrophobicContact CE2-CB 4Å; F405-H502 AromaticContact CE2-CG 3.88Å; F405-H502 AromaticContact CE2-ND1 3.64Å; F405-H502 HydrophobicContact CG-CB 3.77Å; F405-H502 AromaticContact CG-CD2 3.59Å; F405-H502 AromaticContact CG-CG 3.38Å; F405-H502 AromaticContact CG-ND1 3.73Å; F405-H502 HydrophobicContact CZ-CB 3.87Å
406	F	98.6	Very high	97.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-30.1	178.8	-76.6	-15	0	0	0	113.3	I402 I403 E408 Y409 F410 S465 V468 A469 W472 A495	I402-F406 HydrophobicContact CG2-CD2 3.76Å; I402-F406 HydrophobicContact CG2-CE1 4.44Å; I402-F406 HydrophobicContact CG2-CE2 3.51Å; I402-F406 HydrophobicContact CG2-CG 4.29Å; I402-F406 HydrophobicContact CG2-CZ 3.89Å; I402-F406 PolarHBondContact O-N 3.43Å; I403-F406 PolarHBondContact O-N 2.83Å; F406-E408 VanDerWaalsContact C-N 3.29Å; F406-E408 PolarHBondContact O-N 3.15Å; F406-Y409 PolarHBondContact O-N 3.24Å; F406-F410 HydrophobicContact CB-CD2 3.81Å; F406-F410 HydrophobicContact CB-CE2 3.73Å; F406-F410 AromaticContact CD1-CE2 3.82Å; F406-F410 HydrophobicContact CD1-CE2 3.82Å; F406-F410 HydrophobicContact CD1-CZ 4.33Å; F406-F410 HydrophobicContact CD2-CE2 4.08Å; F406-F410 HydrophobicContact CE1-CE2 4.44Å; F406-F410 HydrophobicContact CG-CD2 4.23Å; F406-F410 AromaticContact CG-CE2 3.62Å; F406-F410 HydrophobicContact CG-CE2 3.62Å; F406-F410 WeakPolarHBondContact O-CB 3.46Å; F406-F410 WeakPolarHBondContact O-CD2 3.35Å; F406-F410 PolarHBondContact O-N 3.34Å; F406-S465 WeakPolarHBondContact CE2-O 3.21Å; F406-S465 WeakPolarHBondContact CZ-OG 3.35Å; F406-V468 HydrophobicContact CD2-CB 4.48Å; F406-V468 HydrophobicContact CD2-CG1 3.92Å; F406-V468 HydrophobicContact CE2-CB 4.5Å; F406-V468 HydrophobicContact CE2-CG1 4.39Å; F406-A469 HydrophobicContact CD2-CB 4.33Å; F406-A469 HydrophobicContact CE2-CB 3.66Å; F406-A469 HydrophobicContact CZ-CB 4.26Å; F406-W472 HydrophobicContact CB-CE3 4.01Å; F406-W472 HydrophobicContact CB-CH2 3.42Å; F406-W472 VanDerWaalsContact CB-CH2 3.42Å; F406-W472 HydrophobicContact CB-CZ2 4.11Å; F406-W472 HydrophobicContact CB-CZ3 3.35Å; F406-W472 HydrophobicContact CD2-CE3 4.39Å; F406-W472 AromaticContact CD2-CZ3 3.95Å; F406-W472 HydrophobicContact CD2-CZ3 3.95Å; F406-W472 HydrophobicContact CG-CZ3 4.17Å; F406-A495 HydrophobicContact CZ-CB 4.11Å; F406-A495 WeakPolarHBondContact CZ-O 3.41Å
407	E	97.6	Very high	97.7	Very high	15 Å²	15	40.9 Å²	40.9	7%	0.07	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-42.2	168.4	-74.6	-176.1	106.5	0	0	112.3	R378 I403 G404 F405 E411 L412 Y414 W472	R378-E407 IonicContact CZ-OE1 3.45Å; R378-E407 IonicContact CZ-OE2 2.79Å; R378-E407 IonicContact NH1-OE1 3.93Å; R378-E407 PolarHBondContact NH1-OE1 3.48Å; R378-E407 IonicContact NH1-OE2 2.89Å; R378-E407 PolarHBondContact NH1-OE2 3.08Å; R378-E407 IonicContact NH2-OE1 3.9Å; R378-E407 IonicContact NH2-OE2 3.54Å; R378-E407 PolarHBondContact NH2-OE2 3.33Å; I403-E407 WeakPolarHBondContact O-CG 3.39Å; I403-E407 PolarHBondContact O-N 3.23Å; I403-E407 VanDerWaalsContact O-N 3.16Å; G404-E407 PolarHBondContact O-N 3.46Å; F405-E407 VanDerWaalsContact C-N 3.32Å; F405-E407 PolarHBondContact O-N 3.23Å; E407-E411 VanDerWaalsContact O-CA 3.24Å; E407-E411 WeakPolarHBondContact O-CA 3.24Å; E407-E411 PolarHBondContact O-N 3.02Å; E407-L412 PolarHBondContact O-N 3.36Å; E407-L412 VanDerWaalsContact O-N 3.17Å; E407-Y414 PolarHBondContact OE1-N 2.89Å; E407-W472 HydrophobicContact CB-CZ2 4.31Å; E407-W472 HydrophobicContact CG-CH2 4.07Å; E407-W472 HydrophobicContact CG-CZ2 3.66Å
408	E	97.5	Very high	97.7	Very high	119 Å²	119	37.7 Å²	37.7	56%	0.556	18%	0.179	S	C	*	.	H	α-helix	trans	-73.8	-40.5	177.8	-65.9	177.3	-173.5	0	0	111.7	G404 F405 F406 E411 R572	G404-E408 PolarHBondContact O-N 2.99Å; F405-E408 CarbonylContact O-C 3.57Å; F405-E408 WeakPolarHBondContact O-CB 3.49Å; F405-E408 PolarHBondContact O-N 3.28Å; F405-E408 VanDerWaalsContact O-N 3.09Å; F406-E408 VanDerWaalsContact C-N 3.29Å; F406-E408 PolarHBondContact O-N 3.15Å; E408-E411 WeakPolarHBondContact O-CG 3.49Å; E408-E411 PolarHBondContact O-N 3.33Å; E408-R572 PolarHBondContact O-NH2 2.9Å
409	Y	97.7	Very high	97.7	Very high	24 Å²	24	37.6 Å²	37.6	9%	0.094	18%	0.178	C	C	.	.	H	α-helix	trans	-68.9	-50.4	-178.3	-172.4	-88.5	0	0	0	111.1	F405 F406 E411 I498 R572	F405-Y409 HydrophobicContact CE1-CD2 4.34Å; F405-Y409 HydrophobicContact CE1-CG 4.44Å; F405-Y409 HydrophobicContact CE2-CD2 4.17Å; F405-Y409 AromaticContact CZ-CD2 3.64Å; F405-Y409 HydrophobicContact CZ-CD2 3.64Å; F405-Y409 HydrophobicContact CZ-CE2 4.48Å; F405-Y409 HydrophobicContact CZ-CG 4.1Å; F405-Y409 WeakPolarHBondContact O-CB 3.47Å; F405-Y409 PolarHBondContact O-N 2.79Å; F406-Y409 PolarHBondContact O-N 3.24Å; Y409-E411 PolarHBondContact O-N 2.79Å; Y409-I498 HydrophobicContact CD2-CG2 4.12Å; Y409-I498 HydrophobicContact CE1-CD1 4.37Å; Y409-I498 HydrophobicContact CE2-CG2 3.74Å; Y409-R572 HydrophobicContact CE1-CG 4.42Å; Y409-R572 PolarHBondContact O-NE 3.3Å; Y409-R572 PolarHBondContact O-NH2 3.48Å
410	F	97.9	Very high	97.7	Very high	9 Å²	9	38.2 Å²	38.2	4%	0.039	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.2	176.2	-58.6	-57.1	0	0	0	113.1	F406 L412 W472 F473 A495 V575 L579	F406-F410 HydrophobicContact CB-CD2 3.81Å; F406-F410 HydrophobicContact CB-CE2 3.73Å; F406-F410 AromaticContact CD1-CE2 3.82Å; F406-F410 HydrophobicContact CD1-CE2 3.82Å; F406-F410 HydrophobicContact CD1-CZ 4.33Å; F406-F410 HydrophobicContact CD2-CE2 4.08Å; F406-F410 HydrophobicContact CE1-CE2 4.44Å; F406-F410 HydrophobicContact CG-CD2 4.23Å; F406-F410 AromaticContact CG-CE2 3.62Å; F406-F410 HydrophobicContact CG-CE2 3.62Å; F406-F410 WeakPolarHBondContact O-CB 3.46Å; F406-F410 WeakPolarHBondContact O-CD2 3.35Å; F406-F410 PolarHBondContact O-N 3.34Å; F410-L412 PolarHBondContact O-N 3.14Å; F410-W472 HydrophobicContact CB-CG 4.46Å; F410-W472 HydrophobicContact CD2-CB 4.33Å; F410-W472 AromaticContact CD2-CD2 3.64Å; F410-W472 HydrophobicContact CD2-CD2 3.64Å; F410-W472 AromaticContact CD2-CE2 3.98Å; F410-W472 AromaticContact CD2-CE3 3.98Å; F410-W472 HydrophobicContact CD2-CE3 3.98Å; F410-W472 AromaticContact CD2-CG 3.79Å; F410-W472 HydrophobicContact CD2-CG 3.79Å; F410-W472 HydrophobicContact CE2-CD2 4.23Å; F410-W472 HydrophobicContact CE2-CE3 4.16Å; F410-W472 HydrophobicContact CE2-CG 4.46Å; F410-W472 HydrophobicContact CG-CG 4.31Å; F410-F473 HydrophobicContact CD1-CE2 4.26Å; F410-F473 HydrophobicContact CD1-CZ 4.23Å; F410-F473 AromaticContact CE1-CE2 3.6Å; F410-F473 HydrophobicContact CE1-CE2 3.6Å; F410-F473 AromaticContact CE1-CZ 3.8Å; F410-F473 HydrophobicContact CE1-CZ 3.8Å; F410-F473 HydrophobicContact CE2-CE2 4.09Å; F410-F473 AromaticContact CZ-CE2 3.54Å; F410-F473 HydrophobicContact CZ-CE2 3.54Å; F410-F473 HydrophobicContact CZ-CZ 4.22Å; F410-A495 HydrophobicContact CZ-CB 4.29Å; F410-V575 HydrophobicContact CD1-CG1 4.44Å; F410-L579 HydrophobicContact CB-CD1 4.04Å; F410-L579 HydrophobicContact CD1-CD1 4.04Å; F410-L579 HydrophobicContact CG-CD1 4.1Å
411	E	97.5	Very high	97.7	Very high	99 Å²	99	36.6 Å²	36.6	46%	0.463	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	40.2	-177.6	-60.7	179.8	-105.3	0	0	112	E407 E408 Y409 R572 K576	E407-E411 VanDerWaalsContact O-CA 3.24Å; E407-E411 WeakPolarHBondContact O-CA 3.24Å; E407-E411 PolarHBondContact O-N 3.02Å; E408-E411 WeakPolarHBondContact O-CG 3.49Å; E408-E411 PolarHBondContact O-N 3.33Å; Y409-E411 PolarHBondContact O-N 2.79Å; E411-R572 IonicContact OE1-NH2 2.77Å; E411-K576 HydrophobicContact CB-CD 3.89Å; E411-K576 HydrophobicContact CB-CG 4.44Å; E411-K576 HydrophobicContact CG-CD 4.36Å; E411-K576 WeakPolarHBondContact OE1-CD 3.49Å; E411-K576 IonicContact OE1-NZ 3.23Å; E411-K576 PolarHBondContact OE1-NZ 2.86Å; E411-K576 IonicContact OE2-NZ 2.62Å; E411-K576 PolarHBondContact OE2-NZ 3.4Å
412	L	97.1	Very high	97.7	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.063	15%	0.152	C	C	.	.	S	Bend	trans	-144.5	123.3	-175.4	-150.4	83.5	0	0	0	108.8	E407 F410 W472 L476 L579 Y580	E407-L412 PolarHBondContact O-N 3.36Å; E407-L412 VanDerWaalsContact O-N 3.17Å; F410-L412 PolarHBondContact O-N 3.14Å; L412-W472 PolarHBondContact O-NE1 3.13Å; L412-W472 VanDerWaalsContact O-NE1 3.1Å; L412-L476 HydrophobicContact CD2-CD2 3.31Å; L412-L579 HydrophobicContact CD2-CB 4.14Å; L412-Y580 HydrophobicContact CD1-CD2 3.75Å; L412-Y580 HydrophobicContact CD1-CG 4.42Å
413	P	96.1	Very high	97.6	Very high	94 Å²	94	31.5 Å²	31.5	61%	0.61	15%	0.152	S	C	*	.			trans	-66.8	142.8	-174.3	27.6	-35.1	0	0	0	111.7
414	Y	97.2	Very high	97.5	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.027	15%	0.152	C	C	.	.			trans	-71.6	121.9	169.6	171.7	-109.3	0	0	0	108.3	R378 I403 E407 L416 T419 W435 Q471	R378-Y414 PolarHBondContact NH1-O 3.43Å; I403-Y414 HydrophobicContact CD1-CD1 3.57Å; I403-Y414 HydrophobicContact CD1-CD2 4Å; I403-Y414 HydrophobicContact CD1-CE1 3.57Å; I403-Y414 HydrophobicContact CD1-CE2 4.04Å; I403-Y414 HydrophobicContact CD1-CG 3.76Å; I403-Y414 HydrophobicContact CG1-CD1 4.3Å; I403-Y414 HydrophobicContact CG1-CD2 4.46Å; I403-Y414 HydrophobicContact CG1-CG 4.13Å; E407-Y414 PolarHBondContact OE1-N 2.89Å; Y414-L416 HydrophobicContact CD1-CB 4.49Å; Y414-L416 HydrophobicContact CE1-CB 3.7Å; Y414-L416 HydrophobicContact CE1-CG 4.39Å; Y414-L416 HydrophobicContact CE2-CB 4.49Å; Y414-L416 HydrophobicContact CE2-CG 4.31Å; Y414-L416 PolarHBondContact O-N 3.31Å; Y414-T419 WeakPolarHBondContact CE1-OG1 3.39Å; Y414-T419 PolarHBondContact OH-OG1 3.39Å; Y414-W435 AromaticContact CE2-NE1 3.93Å; Y414-Q471 HydrophobicContact CD2-CB 3.89Å; Y414-Q471 HydrophobicContact CD2-CG 4.23Å; Y414-Q471 HydrophobicContact CE2-CB 3.83Å; Y414-Q471 HydrophobicContact CE2-CG 3.78Å
415	P	95.2	Very high	97.1	Very high	40 Å²	40	32.5 Å²	32.5	26%	0.26	16%	0.158	S	C	.	.			trans	-81.7	-16.3	-161.7	29.9	-35.7	0	0	0	114.7	W435 Y584	P415-W435 HydrophobicContact CG-CZ2 3.72Å; P415-Y584 VanDerWaalsContact CB-OH 3.22Å; P415-Y584 WeakPolarHBondContact CB-OH 3.24Å
416	L	97.7	Very high	96.4	Very high	9 Å²	9	34.1 Å²	34.1	5%	0.047	17%	0.168	C	C	.	.			trans	-86.9	155.6	-175.5	-52.5	-166.8	0	0	0	111.6	M332 V353 R378 Y414 W435	M332-L416 HydrophobicContact CE-CD1 3.95Å; M332-L416 HydrophobicContact CE-CD2 3.77Å; M332-L416 HydrophobicContact SD-CD1 4.32Å; M332-L416 HydrophobicContact SD-CD2 3.97Å; V353-L416 HydrophobicContact CG1-CD2 3.91Å; V353-L416 HydrophobicContact CG2-CD2 4.14Å; R378-L416 WeakPolarHBondContact CD-O 3.37Å; Y414-L416 HydrophobicContact CD1-CB 4.49Å; Y414-L416 HydrophobicContact CE1-CB 3.7Å; Y414-L416 HydrophobicContact CE1-CG 4.39Å; Y414-L416 HydrophobicContact CE2-CB 4.49Å; Y414-L416 HydrophobicContact CE2-CG 4.31Å; Y414-L416 PolarHBondContact O-N 3.31Å; L416-W435 HydrophobicContact CD1-CG 4.02Å
417	R	95.7	Very high	95.6	Very high	164 Å²	164	34.2 Å²	34.2	62%	0.619	17%	0.169	S	C	*	.	S	Bend	trans	-90.1	-8.8	178.5	-63.7	-173	-69.2	-175.4	-2.8	113.7	E350 R378 N379	E350-R417 IonicContact OE1-CZ 3.3Å; E350-R417 IonicContact OE1-NH2 3.98Å; E350-R417 PolarHBondContact OE1-NH2 3.07Å; E350-R417 IonicContact OE2-CZ 2.75Å; E350-R417 IonicContact OE2-NE 2.87Å; E350-R417 IonicContact OE2-NH2 2.94Å; E350-R417 PolarHBondContact OE2-NH2 3.07Å; R378-R417 WeakPolarHBondContact CB-O 3.43Å; N379-R417 PolarHBondContact N-O 3.39Å
418	K	97.9	Very high	94.5	Very high	17 Å²	17	36.3 Å²	36.3	7%	0.074	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.1	176	68.3	76.2	147	175.4	0	111.1	S330 N331 M332 A333 N379 D420 G436	S330-K418 PolarHBondContact O-NZ 3.48Å; N331-K418 WeakPolarHBondContact O-CE 3.44Å; N331-K418 PolarHBondContact O-NZ 3.32Å; M332-K418 WeakPolarHBondContact O-CE 3.49Å; M332-K418 PolarHBondContact O-NZ 3.06Å; A333-K418 HydrophobicContact CB-CG 4.23Å; N379-K418 HydrophobicContact CB-CB 4.08Å; N379-K418 CarbonylContact O-C 3.4Å; N379-K418 VanDerWaalsContact O-CA 3.25Å; N379-K418 WeakPolarHBondContact O-CA 3.38Å; K418-D420 WeakPolarHBondContact CD-OD2 3.26Å; K418-D420 WeakPolarHBondContact CE-OD2 3.37Å; K418-D420 IonicContact NZ-OD2 3.7Å; K418-D420 PolarHBondContact NZ-OD2 3.3Å; K418-G436 PolarHBondContact NZ-O 3.38Å
419	T	98.5	Very high	93.4	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	128.2	170.8	-58	0	0	0	0	108.5	N379 F380 T381 Y414 M438	N379-T419 PolarHBondContact O-N 3.03Å; F380-T419 CarbonylContact C-O 3.59Å; F380-T419 VanDerWaalsContact CA-O 3.29Å; F380-T419 WeakPolarHBondContact CA-O 3.37Å; F380-T419 HydrophobicContact CD2-CG2 4.09Å; F380-T419 HydrophobicContact CE2-CG2 3.63Å; F380-T419 HydrophobicContact CZ-CG2 3.92Å; T381-T419 PolarHBondContact N-O 3.22Å; Y414-T419 WeakPolarHBondContact CE1-OG1 3.39Å; Y414-T419 PolarHBondContact OH-OG1 3.39Å; T419-M438 HydrophobicContact CG2-CE 3.48Å; T419-M438 VanDerWaalsContact CG2-CE 3.48Å
420	D	98.8	Very high	92.6	Very high	13 Å²	13	32.8 Å²	32.8	7%	0.07	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.1	169.3	-65.3	-63.3	0	0	0	109.7	T381 W383 K418 G436 L437 M438	T381-D420 WeakPolarHBondContact CB-OD1 3.21Å; T381-D420 CarbonylContact O-C 3.37Å; T381-D420 WeakPolarHBondContact O-CA 3.44Å; T381-D420 PolarHBondContact OG1-OD1 2.96Å; W383-D420 PolarHBondContact NE1-OD1 3.2Å; K418-D420 WeakPolarHBondContact CD-OD2 3.26Å; K418-D420 WeakPolarHBondContact CE-OD2 3.37Å; K418-D420 IonicContact NZ-OD2 3.7Å; K418-D420 PolarHBondContact NZ-OD2 3.3Å; D420-G436 PolarHBondContact N-O 2.86Å; D420-L437 HydrophobicContact CB-CD1 3.59Å; D420-L437 CarbonylContact O-C 3.53Å; D420-L437 WeakPolarHBondContact O-CA 3.47Å; D420-M438 PolarHBondContact O-N 3.05Å
421	M	98.8	Very high	92.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140.1	164.2	-64.3	168.4	56.9	0	0	108.2	F380 T381 V382 W383 A395 M438 Y440 M445 I464	F380-M421 HydrophobicContact CE1-CG 3.98Å; F380-M421 HydrophobicContact CE1-SD 3.44Å; F380-M421 WeakPolarHBondContact CE1-SD 3.09Å; F380-M421 HydrophobicContact CZ-CG 4.07Å; F380-M421 HydrophobicContact CZ-SD 3.49Å; F380-M421 WeakPolarHBondContact CZ-SD 3.48Å; T381-M421 PolarHBondContact O-N 2.81Å; V382-M421 CarbonylContact C-O 3.59Å; V382-M421 VanDerWaalsContact CA-O 3.31Å; V382-M421 WeakPolarHBondContact CA-O 3.3Å; V382-M421 HydrophobicContact CG1-CB 4.49Å; V382-M421 HydrophobicContact CG2-CB 4.3Å; V382-M421 HydrophobicContact CG2-SD 4.46Å; W383-M421 PolarHBondContact N-O 3.37Å; A395-M421 HydrophobicContact CB-CE 4.02Å; M421-M438 CarbonylContact C-O 3.57Å; M421-M438 WeakPolarHBondContact CA-O 3.5Å; M421-M438 HydrophobicContact CG-CE 3.77Å; M421-M438 HydrophobicContact SD-CE 4.45Å; M421-Y440 HydrophobicContact CB-CD2 4.34Å; M421-Y440 HydrophobicContact CB-CE2 3.86Å; M421-Y440 HydrophobicContact CE-CD2 4.39Å; M421-Y440 HydrophobicContact CE-CE1 4.26Å; M421-Y440 HydrophobicContact CE-CE2 3.7Å; M421-Y440 HydrophobicContact CG-CE2 3.83Å; M421-M445 HydrophobicContact CB-SD 3.93Å; M421-M445 HydrophobicContact CE-CG 3.68Å; M421-M445 HydrophobicContact CE-SD 3.95Å; M421-I464 HydrophobicContact CE-CD1 3.74Å; M421-I464 HydrophobicContact CE-CG1 3.59Å; M421-I464 HydrophobicContact CE-CG2 4.25Å
422	V	98.7	Very high	92.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.8	178.1	58.1	0	0	0	0	110.9	V363 F367 W383 V424 L437 M438 I439 Y440	V363-V422 HydrophobicContact CG2-CG1 4.21Å; F367-V422 HydrophobicContact CD2-CG2 3.77Å; F367-V422 HydrophobicContact CE2-CG2 3.76Å; W383-V422 HydrophobicContact CB-CB 4.01Å; W383-V422 HydrophobicContact CB-CG2 3.87Å; W383-V422 WeakPolarHBondContact O-CA 3.42Å; V422-V424 HydrophobicContact CG2-CG1 4.12Å; V422-L437 HydrophobicContact CB-CD1 4.48Å; V422-L437 HydrophobicContact CG1-CD1 3.93Å; V422-M438 PolarHBondContact N-O 3.04Å; V422-I439 HydrophobicContact CG1-CB 4.19Å; V422-I439 HydrophobicContact CG1-CG1 3.73Å; V422-I439 HydrophobicContact CG1-CG2 4.28Å; V422-Y440 PolarHBondContact O-N 3.23Å
423	A	97.9	Very high	92.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.2	169.9	0	0	0	0	0	110.1	F367 W383 Y440 E442 M445 L446	F367-A423 VanDerWaalsContact CE2-O 3.32Å; F367-A423 WeakPolarHBondContact CE2-O 3.38Å; W383-A423 PolarHBondContact O-N 3.31Å; A423-Y440 CarbonylContact C-O 3.53Å; A423-Y440 WeakPolarHBondContact CA-O 3.44Å; A423-E442 HydrophobicContact CB-CG 4.04Å; A423-M445 HydrophobicContact CB-CB 4.29Å; A423-M445 HydrophobicContact CB-CE 3.23Å; A423-M445 HydrophobicContact CB-SD 3.92Å; A423-L446 HydrophobicContact CB-CD1 4.2Å; A423-L446 HydrophobicContact CB-CD2 4.27Å; A423-L446 HydrophobicContact CB-CG 4.05Å
424	V	95.2	Very high	92.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	147.3	176	-59.2	0	0	0	0	110.7	L290 T292 F367 V422 F427 I439 Y440 E442	L290-V424 HydrophobicContact CD1-CB 4.46Å; L290-V424 HydrophobicContact CD1-CG1 4.13Å; T292-V424 HydrophobicContact CG2-CG1 4.45Å; F367-V424 HydrophobicContact CE2-CG1 4.28Å; V422-V424 HydrophobicContact CG2-CG1 4.12Å; V424-F427 HydrophobicContact CG2-CB 3.86Å; V424-F427 HydrophobicContact CG2-CD2 3.83Å; V424-F427 HydrophobicContact CG2-CG 4.13Å; V424-I439 HydrophobicContact CG1-CG2 4.02Å; V424-I439 HydrophobicContact CG2-CG2 3.75Å; V424-Y440 WeakPolarHBondContact CG2-O 3.4Å; V424-Y440 PolarHBondContact N-O 2.81Å; V424-E442 PolarHBondContact O-N 2.92Å
425	P	89.3	Confident	92.7	Very high	26 Å²	26	23.1 Å²	23.1	17%	0.169	14%	0.137	C	C	.	.	S	Bend	trans	-60.6	-50.8	-179.3	-23.8	32.6	0	0	0	112.7	Y281 L290	Y281-P425 HydrophobicContact CD1-CG 4.29Å; L290-P425 HydrophobicContact CD2-CG 4.38Å
426	D	82.9	Confident	92.8	Very high	67 Å²	67	21.2 Å²	21.2	36%	0.358	12%	0.124	S	C	.	.			trans	-111.4	121.3	-177	-45.1	-59.7	0	0	0	109.5	L273 Y277 S279	L273-D426 HydrophobicContact CD2-CB 3.67Å; Y277-D426 PolarHBondContact OH-O 2.8Å; Y277-D426 VanDerWaalsContact OH-O 3.06Å; S279-D426 WeakPolarHBondContact CB-OD2 3.5Å; S279-D426 PolarHBondContact OG-OD2 2.89Å
427	F	83.5	Confident	92.9	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.013	12%	0.122	C	C	.	.			trans	-147.3	125	175.8	-157.1	-118.6	0	0	0	109.3	Y277 Q294 V424 A429 M432 I439 R441	Y277-F427 WeakPolarHBondContact OH-CD2 3.25Å; Q294-F427 HydrophobicContact CB-CE2 4.18Å; V424-F427 HydrophobicContact CG2-CB 3.86Å; V424-F427 HydrophobicContact CG2-CD2 3.83Å; V424-F427 HydrophobicContact CG2-CG 4.13Å; F427-A429 VanDerWaalsContact C-N 3.31Å; F427-A429 CarbonylContact C-O 3.48Å; F427-A429 HydrophobicContact CD1-CB 3.97Å; F427-A429 WeakPolarHBondContact CD1-O 3.37Å; F427-A429 HydrophobicContact CE1-CB 3.76Å; F427-A429 PolarHBondContact O-N 3.22Å; F427-A429 VanDerWaalsContact O-O 3.04Å; F427-M432 HydrophobicContact CE1-CB 3.86Å; F427-M432 HydrophobicContact CZ-CB 3.6Å; F427-I439 HydrophobicContact CD2-CG2 3.81Å; F427-I439 HydrophobicContact CE2-CB 4.15Å; F427-I439 HydrophobicContact CE2-CG2 3.53Å; F427-I439 HydrophobicContact CG-CG2 4.48Å; F427-I439 HydrophobicContact CZ-CB 4.13Å; F427-I439 HydrophobicContact CZ-CG2 3.95Å; F427-R441 HydrophobicContact CB-CB 4.26Å; F427-R441 PolarHBondContact O-NE 2.9Å; F427-R441 PolarHBondContact O-NH2 2.89Å
428	A	72.7	Confident	93	Very high	58 Å²	58	13 Å²	13	48%	0.479	9%	0.093	S	C	.	.	S	Bend	trans	-60.3	-44.4	-177.1	0	0	0	0	0	111.4	L273 R441	L273-A428 HydrophobicContact CB-CB 3.77Å; L273-A428 HydrophobicContact CD1-CB 4.06Å; A428-R441 PolarHBondContact O-NH2 3.16Å
429	A	74.5	Confident	93.1	Very high	35 Å²	35	12.1 Å²	12.1	29%	0.289	9%	0.089	S	C	.	.	S	Bend	trans	-82.6	-179.5	175.3	0	0	0	0	0	112.2	F427 R441	F427-A429 VanDerWaalsContact C-N 3.31Å; F427-A429 CarbonylContact C-O 3.48Å; F427-A429 HydrophobicContact CD1-CB 3.97Å; F427-A429 WeakPolarHBondContact CD1-O 3.37Å; F427-A429 HydrophobicContact CE1-CB 3.76Å; F427-A429 PolarHBondContact O-N 3.22Å; F427-A429 VanDerWaalsContact O-O 3.04Å; A429-R441 PolarHBondContact O-NH2 3.47Å
430	G	82.3	Confident	93	Very high	34 Å²	34	12.1 Å²	12.1	35%	0.351	9%	0.089	S	C	.	.	S	Bend	trans	-77.5	-42.7	170	0	0	0	0	0	112.3	R441 T444	G430-R441 PolarHBondContact O-N 3.25Å; G430-T444 PolarHBondContact O-OG1 3.4Å
431	A	95.8	Very high	92.8	Very high	14 Å²	14	15.5 Å²	15.5	12%	0.116	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	174.4	175.7	0	0	0	0	0	109.1	I439 Y440 V463 E467	A431-I439 CarbonylContact C-O 3.51Å; A431-I439 WeakPolarHBondContact CA-O 3.25Å; A431-Y440 HydrophobicContact CB-CD1 3.49Å; A431-Y440 VanDerWaalsContact CB-CD1 3.49Å; A431-Y440 HydrophobicContact CB-CE1 3.89Å; A431-Y440 HydrophobicContact CB-CG 4.01Å; A431-V463 HydrophobicContact CB-CG1 3.71Å; A431-E467 HydrophobicContact CB-CG 3.7Å; A431-E467 WeakPolarHBondContact CB-OE1 3.35Å
432	M	97.7	Very high	92.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	134.9	-179.6	179.5	70.6	-144	0	0	110.8	Q296 Y358 L359 F427 N434 M438 I439	Q296-M432 HydrophobicContact CB-CE 3.76Å; Q296-M432 HydrophobicContact CB-SD 3.65Å; Q296-M432 HydrophobicContact CG-CE 4.19Å; Q296-M432 HydrophobicContact CG-SD 4.28Å; Q296-M432 PolarHBondContact OE1-SD 3.1Å; Q296-M432 VanDerWaalsContact OE1-SD 3.41Å; Y358-M432 HydrophobicContact CD2-CE 3.55Å; Y358-M432 HydrophobicContact CE2-CE 3.72Å; L359-M432 HydrophobicContact CD2-CE 4.39Å; F427-M432 HydrophobicContact CE1-CB 3.86Å; F427-M432 HydrophobicContact CZ-CB 3.6Å; M432-N434 WeakPolarHBondContact CG-OD1 3.33Å; M432-N434 PolarHBondContact O-N 3.03Å; M432-M438 WeakPolarHBondContact O-CA 3.38Å; M432-I439 PolarHBondContact N-O 3.49Å; M432-I439 PolarHBondContact O-N 3.45Å
433	E	97.9	Very high	91.9	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.019	12%	0.12	C	C	.	.			trans	-80.3	20.5	-167.6	69.5	-87.7	-160.9	0	0	115.1	Q296 Y358 L359 W435 E467 H470 Q471 N475	Q296-E433 PolarHBondContact NE2-OE1 2.87Å; Y358-E433 WeakPolarHBondContact CE2-OE1 3.47Å; L359-E433 HydrophobicContact CD2-CG 3.91Å; E433-W435 PolarHBondContact O-N 3.19Å; E433-E467 WeakPolarHBondContact CA-OE2 3.3Å; E433-E467 PolarHBondContact N-OE2 3.43Å; E433-H470 HydrophobicContact CB-CB 3.26Å; E433-H470 HydrophobicContact CG-CB 3.6Å; E433-Q471 PolarHBondContact O-NE2 2.67Å; E433-N475 PolarHBondContact O-ND2 2.88Å
434	N	98.6	Very high	91.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.122	C	C	.	.			trans	-47.1	126.7	-174	-61.7	112.3	0	0	0	111.4	L359 L360 A361 M432 G436 L437 M438	L359-N434 WeakPolarHBondContact O-CA 3.5Å; L359-N434 WeakPolarHBondContact O-CB 3.49Å; L359-N434 PolarHBondContact O-ND2 3.46Å; L359-N434 VanDerWaalsContact O-ND2 3.1Å; L360-N434 PolarHBondContact O-ND2 2.93Å; A361-N434 HydrophobicContact CB-CB 3.59Å; M432-N434 WeakPolarHBondContact CG-OD1 3.33Å; M432-N434 PolarHBondContact O-N 3.03Å; N434-G436 PolarHBondContact O-N 3.29Å; N434-L437 VanDerWaalsContact CB-O 3.23Å; N434-L437 WeakPolarHBondContact CB-O 3.37Å; N434-L437 CarbonylContact O-C 3.52Å; N434-L437 PolarHBondContact O-N 2.94Å; N434-M438 PolarHBondContact O-N 3.31Å
435	W	97.5	Very high	91.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	109.7	-163.1	-154.1	-12.1	0	0	0	111.3	N331 V353 M355 L359 Y414 P415 L416 E433 N475 L476 Y584	N331-W435 WeakPolarHBondContact CA-O 3.35Å; N331-W435 WeakPolarHBondContact CB-O 3.49Å; N331-W435 PolarHBondContact ND2-N 2.79Å; N331-W435 PolarHBondContact ND2-O 3.14Å; V353-W435 HydrophobicContact CG2-CD2 3.99Å; V353-W435 HydrophobicContact CG2-CE3 3.77Å; V353-W435 HydrophobicContact CG2-CH2 3.68Å; V353-W435 HydrophobicContact CG2-CZ2 3.97Å; V353-W435 HydrophobicContact CG2-CZ3 3.61Å; M355-W435 HydrophobicContact CB-CE3 3.66Å; M355-W435 HydrophobicContact CB-CZ3 3.87Å; M355-W435 HydrophobicContact SD-CB 4.28Å; M355-W435 HydrophobicContact SD-CE3 4.38Å; L359-W435 HydrophobicContact CD1-CE3 4.09Å; L359-W435 PolarHBondContact O-N 3.17Å; Y414-W435 AromaticContact CE2-NE1 3.93Å; P415-W435 HydrophobicContact CG-CZ2 3.72Å; L416-W435 HydrophobicContact CD1-CG 4.02Å; E433-W435 PolarHBondContact O-N 3.19Å; W435-N475 HydrophobicContact CD2-CB 3.68Å; W435-N475 HydrophobicContact CE3-CB 3.72Å; W435-N475 HydrophobicContact CG-CB 4.18Å; W435-N475 HydrophobicContact CH2-CB 4.25Å; W435-N475 HydrophobicContact CZ2-CB 4.15Å; W435-N475 VanDerWaalsContact CZ3-C 3.48Å; W435-N475 HydrophobicContact CZ3-CB 4.02Å; W435-N475 VanDerWaalsContact CZ3-O 3.29Å; W435-N475 WeakPolarHBondContact CZ3-O 3.34Å; W435-L476 VanDerWaalsContact CH2-CA 3.48Å; W435-L476 HydrophobicContact CH2-CB 4.14Å; W435-L476 HydrophobicContact CH2-CD1 4.04Å; W435-L476 HydrophobicContact CZ2-CB 4.16Å; W435-L476 HydrophobicContact CZ2-CD1 4.2Å; W435-Y584 HydrophobicContact CH2-CD1 4.18Å; W435-Y584 HydrophobicContact CH2-CE1 4.01Å
436	G	98	Very high	92	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	-3.3	-178.1	0	0	0	0	0	115.9	N331 K418 D420 N434	N331-G436 CarbonylContact O-C 3.58Å; N331-G436 WeakPolarHBondContact O-CA 3.09Å; K418-G436 PolarHBondContact NZ-O 3.38Å; D420-G436 PolarHBondContact N-O 2.86Å; N434-G436 PolarHBondContact O-N 3.29Å
437	L	98.6	Very high	92.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	72.4	172.2	178.2	60.1	0	0	0	109.9	L329 A361 V363 D420 V422 N434 I439	L329-L437 HydrophobicContact CB-CD1 3.94Å; L329-L437 HydrophobicContact CB-CD2 3.65Å; L329-L437 HydrophobicContact CB-CG 4.48Å; L329-L437 HydrophobicContact CD1-CD1 4.06Å; A361-L437 HydrophobicContact CB-CD2 4.19Å; V363-L437 HydrophobicContact CG2-CD2 4.36Å; D420-L437 HydrophobicContact CB-CD1 3.59Å; D420-L437 CarbonylContact O-C 3.53Å; D420-L437 WeakPolarHBondContact O-CA 3.47Å; V422-L437 HydrophobicContact CB-CD1 4.48Å; V422-L437 HydrophobicContact CG1-CD1 3.93Å; N434-L437 VanDerWaalsContact CB-O 3.23Å; N434-L437 WeakPolarHBondContact CB-O 3.37Å; N434-L437 CarbonylContact O-C 3.52Å; N434-L437 PolarHBondContact O-N 2.94Å; L437-I439 PolarHBondContact O-N 3.03Å
438	M	98.7	Very high	92.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.8	-179.1	-66.6	172.1	-77	0	0	110.6	T419 D420 M421 V422 M432 N434 Y440 E467 V468	T419-M438 HydrophobicContact CG2-CE 3.48Å; T419-M438 VanDerWaalsContact CG2-CE 3.48Å; D420-M438 PolarHBondContact O-N 3.05Å; M421-M438 CarbonylContact C-O 3.57Å; M421-M438 WeakPolarHBondContact CA-O 3.5Å; M421-M438 HydrophobicContact CG-CE 3.77Å; M421-M438 HydrophobicContact SD-CE 4.45Å; V422-M438 PolarHBondContact N-O 3.04Å; M432-M438 WeakPolarHBondContact O-CA 3.38Å; N434-M438 PolarHBondContact O-N 3.31Å; M438-Y440 HydrophobicContact CB-CD2 4.41Å; M438-Y440 HydrophobicContact CB-CE2 3.46Å; M438-Y440 VanDerWaalsContact CB-CE2 3.46Å; M438-Y440 WeakPolarHBondContact O-CD2 3.27Å; M438-E467 HydrophobicContact CG-CB 4.27Å; M438-E467 HydrophobicContact SD-CB 3.5Å; M438-E467 VanDerWaalsContact SD-CB 3.5Å; M438-V468 HydrophobicContact CE-CG2 4.01Å; M438-V468 HydrophobicContact SD-CG2 4.14Å
439	I	98.6	Very high	93.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.2	-177.5	-56.1	179.5	0	0	0	109.3	S293 A361 V363 V422 V424 F427 A431 M432 L437	S293-I439 WeakPolarHBondContact O-CD1 3.41Å; A361-I439 HydrophobicContact CB-CD1 4.11Å; V363-I439 HydrophobicContact CG2-CD1 4.01Å; V422-I439 HydrophobicContact CG1-CB 4.19Å; V422-I439 HydrophobicContact CG1-CG1 3.73Å; V422-I439 HydrophobicContact CG1-CG2 4.28Å; V424-I439 HydrophobicContact CG1-CG2 4.02Å; V424-I439 HydrophobicContact CG2-CG2 3.75Å; F427-I439 HydrophobicContact CD2-CG2 3.81Å; F427-I439 HydrophobicContact CE2-CB 4.15Å; F427-I439 HydrophobicContact CE2-CG2 3.53Å; F427-I439 HydrophobicContact CG-CG2 4.48Å; F427-I439 HydrophobicContact CZ-CB 4.13Å; F427-I439 HydrophobicContact CZ-CG2 3.95Å; A431-I439 CarbonylContact C-O 3.51Å; A431-I439 WeakPolarHBondContact CA-O 3.25Å; M432-I439 PolarHBondContact N-O 3.49Å; M432-I439 PolarHBondContact O-N 3.45Å; L437-I439 PolarHBondContact O-N 3.03Å
440	Y	98	Very high	93.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.9	-177	-61.8	-105	0	0	0	110.7	M421 V422 A423 V424 A431 M438 M445 V463 I464 E467	M421-Y440 HydrophobicContact CB-CD2 4.34Å; M421-Y440 HydrophobicContact CB-CE2 3.86Å; M421-Y440 HydrophobicContact CE-CD2 4.39Å; M421-Y440 HydrophobicContact CE-CE1 4.26Å; M421-Y440 HydrophobicContact CE-CE2 3.7Å; M421-Y440 HydrophobicContact CG-CE2 3.83Å; V422-Y440 PolarHBondContact O-N 3.23Å; A423-Y440 CarbonylContact C-O 3.53Å; A423-Y440 WeakPolarHBondContact CA-O 3.44Å; V424-Y440 WeakPolarHBondContact CG2-O 3.4Å; V424-Y440 PolarHBondContact N-O 2.81Å; A431-Y440 HydrophobicContact CB-CD1 3.49Å; A431-Y440 VanDerWaalsContact CB-CD1 3.49Å; A431-Y440 HydrophobicContact CB-CE1 3.89Å; A431-Y440 HydrophobicContact CB-CG 4.01Å; M438-Y440 HydrophobicContact CB-CD2 4.41Å; M438-Y440 HydrophobicContact CB-CE2 3.46Å; M438-Y440 VanDerWaalsContact CB-CE2 3.46Å; M438-Y440 WeakPolarHBondContact O-CD2 3.27Å; Y440-M445 HydrophobicContact CD1-CB 3.99Å; Y440-M445 HydrophobicContact CD1-CG 4.25Å; Y440-M445 HydrophobicContact CD2-CB 4.44Å; Y440-M445 HydrophobicContact CD2-CG 4.14Å; Y440-M445 HydrophobicContact CD2-SD 3.71Å; Y440-M445 HydrophobicContact CE2-SD 4.35Å; Y440-M445 HydrophobicContact CG-CB 3.78Å; Y440-M445 HydrophobicContact CG-CG 3.96Å; Y440-M445 HydrophobicContact CG-SD 4.01Å; Y440-V463 HydrophobicContact CD1-CG1 4.02Å; Y440-V463 HydrophobicContact CE1-CG1 3.98Å; Y440-I464 HydrophobicContact CE1-CG1 4.18Å; Y440-E467 HydrophobicContact CD1-CG 4.48Å; Y440-E467 HydrophobicContact CE1-CB 4.32Å; Y440-E467 HydrophobicContact CE1-CG 3.56Å; Y440-E467 VanDerWaalsContact OH-CB 3.26Å; Y440-E467 WeakPolarHBondContact OH-CB 3.42Å; Y440-E467 WeakPolarHBondContact OH-CG 3.45Å
441	R	92.8	Very high	93.6	Very high	85 Å²	85	27.3 Å²	27.3	32%	0.321	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	145	156.4	-166.5	-179.3	-64.8	-171.9	-0.2	109.3	F427 A428 A429 G430 A443 T444 M445	F427-R441 HydrophobicContact CB-CB 4.26Å; F427-R441 PolarHBondContact O-NE 2.9Å; F427-R441 PolarHBondContact O-NH2 2.89Å; A428-R441 PolarHBondContact O-NH2 3.16Å; A429-R441 PolarHBondContact O-NH2 3.47Å; G430-R441 PolarHBondContact O-N 3.25Å; R441-A443 PolarHBondContact O-N 3.48Å; R441-A443 VanDerWaalsContact O-N 3.12Å; R441-T444 PolarHBondContact N-OG1 2.98Å; R441-T444 PolarHBondContact O-N 2.96Å; R441-T444 PolarHBondContact O-OG1 3.21Å; R441-M445 PolarHBondContact O-N 3.35Å
442	E	91.8	Very high	92.9	Very high	34 Å²	34	27.3 Å²	27.3	16%	0.159	14%	0.14	C	C	.	.	H	α-helix	trans	-49.5	-42.4	175.7	-75.1	-174.7	171.3	0	0	113	R385 A423 V424 T444 M445 L446	R385-E442 IonicContact CZ-OE1 3.03Å; R385-E442 IonicContact CZ-OE2 3.9Å; R385-E442 IonicContact NE-OE1 3.78Å; R385-E442 PolarHBondContact NE-OE1 3.32Å; R385-E442 IonicContact NE-OE2 2.6Å; R385-E442 IonicContact NH2-OE1 2.81Å; R385-E442 PolarHBondContact NH2-OE1 3.06Å; R385-E442 IonicContact NH2-OE2 3.22Å; R385-E442 PolarHBondContact NH2-OE2 3.21Å; A423-E442 HydrophobicContact CB-CG 4.04Å; V424-E442 PolarHBondContact O-N 2.92Å; E442-T444 PolarHBondContact O-N 3.39Å; E442-M445 PolarHBondContact O-N 3.17Å; E442-L446 HydrophobicContact CB-CD1 3.98Å; E442-L446 HydrophobicContact CG-CD1 3.96Å; E442-L446 WeakPolarHBondContact O-CB 3.37Å; E442-L446 PolarHBondContact O-N 3.09Å
443	A	86.8	Confident	92.3	Very high	29 Å²	29	28.2 Å²	28.2	24%	0.24	15%	0.146	C	C	.	.	H	α-helix	trans	-69.4	-10.3	-178	0	0	0	0	0	115.5	R441 E900	R441-A443 PolarHBondContact O-N 3.48Å; R441-A443 VanDerWaalsContact O-N 3.12Å; A443-E900 HydrophobicContact CB-CB 4.43Å; A443-E900 HydrophobicContact CB-CG 4.08Å
444	T	93	Very high	91.9	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.043	15%	0.15	C	C	.	.	H	α-helix	trans	-110.2	-7.2	180	55	0	0	0	0	113.2	G430 R441 E442 V463	G430-T444 PolarHBondContact O-OG1 3.4Å; R441-T444 PolarHBondContact N-OG1 2.98Å; R441-T444 PolarHBondContact O-N 2.96Å; R441-T444 PolarHBondContact O-OG1 3.21Å; E442-T444 PolarHBondContact O-N 3.39Å; T444-V463 HydrophobicContact CG2-CG2 4.35Å
445	M	96.9	Very high	91.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-120.4	-33.6	179.2	-164.5	-169.1	82.8	0	0	113.4	V382 A395 M421 A423 Y440 R441 E442 V460	V382-M445 HydrophobicContact CG1-CE 3.3Å; V382-M445 HydrophobicContact CG1-SD 3.99Å; A395-M445 HydrophobicContact CB-CG 3.88Å; A395-M445 WeakPolarHBondContact CB-O 3.37Å; M421-M445 HydrophobicContact CB-SD 3.93Å; M421-M445 HydrophobicContact CE-CG 3.68Å; M421-M445 HydrophobicContact CE-SD 3.95Å; A423-M445 HydrophobicContact CB-CB 4.29Å; A423-M445 HydrophobicContact CB-CE 3.23Å; A423-M445 HydrophobicContact CB-SD 3.92Å; Y440-M445 HydrophobicContact CD1-CB 3.99Å; Y440-M445 HydrophobicContact CD1-CG 4.25Å; Y440-M445 HydrophobicContact CD2-CB 4.44Å; Y440-M445 HydrophobicContact CD2-CG 4.14Å; Y440-M445 HydrophobicContact CD2-SD 3.71Å; Y440-M445 HydrophobicContact CE2-SD 4.35Å; Y440-M445 HydrophobicContact CG-CB 3.78Å; Y440-M445 HydrophobicContact CG-CG 3.96Å; Y440-M445 HydrophobicContact CG-SD 4.01Å; R441-M445 PolarHBondContact O-N 3.35Å; E442-M445 PolarHBondContact O-N 3.17Å; M445-V460 VanDerWaalsContact O-CG1 3.26Å; M445-V460 WeakPolarHBondContact O-CG1 3.31Å
446	L	95.4	Very high	91.1	Very high	21 Å²	21	31.7 Å²	31.7	11%	0.11	17%	0.173	C	C	.	.			trans	-92.8	131.8	-172.6	-58.4	177.5	0	0	0	111.3	T384 K388 A392 A423 E442	T384-L446 HydrophobicContact CG2-CD2 4.17Å; K388-L446 HydrophobicContact CB-CD1 3.9Å; K388-L446 HydrophobicContact CG-CD1 4.35Å; A392-L446 HydrophobicContact CB-CD2 4Å; A423-L446 HydrophobicContact CB-CD1 4.2Å; A423-L446 HydrophobicContact CB-CD2 4.27Å; A423-L446 HydrophobicContact CB-CG 4.05Å; E442-L446 HydrophobicContact CB-CD1 3.98Å; E442-L446 HydrophobicContact CG-CD1 3.96Å; E442-L446 WeakPolarHBondContact O-CB 3.37Å; E442-L446 PolarHBondContact O-N 3.09Å
447	W	94.3	Very high	91	Very high	29 Å²	29	33.3 Å²	33.3	11%	0.11	18%	0.18	C	C	.	.			trans	-141.8	133.2	174	-178.7	81.8	0	0	0	111.3	S391 Y394 P449 T453 Q457 V460	S391-W447 WeakPolarHBondContact CA-O 3.46Å; S391-W447 PolarHBondContact O-N 3.22Å; S391-W447 VanDerWaalsContact O-O 3.05Å; Y394-W447 HydrophobicContact CD1-CB 4.27Å; Y394-W447 HydrophobicContact CD1-CE3 4.18Å; Y394-W447 HydrophobicContact CD2-CE3 4.35Å; Y394-W447 HydrophobicContact CD2-CZ3 4.43Å; Y394-W447 AromaticContact CG-CE3 3.9Å; Y394-W447 HydrophobicContact CG-CE3 3.9Å; Y394-W447 HydrophobicContact CG-CZ3 4.43Å; W447-P449 HydrophobicContact CE3-CB 4.45Å; W447-P449 HydrophobicContact CH2-CB 3.86Å; W447-P449 HydrophobicContact CZ3-CB 3.68Å; W447-T453 PolarHBondContact NE1-O 3.01Å; W447-T453 VanDerWaalsContact NE1-O 3.07Å; W447-Q457 HydrophobicContact CD2-CB 4.01Å; W447-Q457 HydrophobicContact CD2-CG 3.72Å; W447-Q457 VanDerWaalsContact CE2-CB 3.49Å; W447-Q457 HydrophobicContact CE3-CG 4Å; W447-Q457 HydrophobicContact CG-CB 4.23Å; W447-Q457 HydrophobicContact CG-CG 4.25Å; W447-Q457 HydrophobicContact CH2-CG 3.94Å; W447-Q457 HydrophobicContact CZ2-CB 3.81Å; W447-Q457 VanDerWaalsContact CZ2-CD 3.44Å; W447-Q457 HydrophobicContact CZ2-CG 3.68Å; W447-Q457 HydrophobicContact CZ3-CG 4.09Å; W447-V460 HydrophobicContact CB-CB 4.49Å; W447-V460 HydrophobicContact CB-CG2 4.12Å
448	D	87.9	Confident	90.9	Very high	30 Å²	30	34 Å²	34	16%	0.16	18%	0.184	C	C	.	.			trans	-104.8	124.2	-179.9	-171.3	-79.5	0	0	0	110.7	E450 F451 G452	D448-E450 VanDerWaalsContact C-N 3.3Å; D448-E450 PolarHBondContact O-N 3.24Å; D448-E450 WeakPolarHBondContact OD1-CA 3.5Å; D448-E450 WeakPolarHBondContact OD1-CB 2.97Å; D448-E450 PolarHBondContact OD1-N 3.01Å; D448-F451 VanDerWaalsContact OD1-CD2 3.32Å; D448-F451 WeakPolarHBondContact OD1-CD2 3.4Å; D448-F451 PolarHBondContact OD1-N 3.42Å; D448-F451 VanDerWaalsContact OD1-N 3.14Å; D448-G452 VanDerWaalsContact O-CA 3.25Å; D448-G452 WeakPolarHBondContact O-CA 3.1Å; D448-G452 PolarHBondContact O-N 3.32Å
449	P	84.8	Confident	90.8	Very high	98 Å²	98	39.2 Å²	39.2	64%	0.636	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.1	-176.8	28.5	-35.1	0	0	0	114.5	W447	W447-P449 HydrophobicContact CE3-CB 4.45Å; W447-P449 HydrophobicContact CH2-CB 3.86Å; W447-P449 HydrophobicContact CZ3-CB 3.68Å
450	E	82.9	Confident	90.7	Very high	133 Å²	133	39.2 Å²	39.2	62%	0.621	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-36.9	179.8	-175	175	175.2	0	0	111.5	D448	D448-E450 VanDerWaalsContact C-N 3.3Å; D448-E450 PolarHBondContact O-N 3.24Å; D448-E450 WeakPolarHBondContact OD1-CA 3.5Å; D448-E450 WeakPolarHBondContact OD1-CB 2.97Å; D448-E450 PolarHBondContact OD1-N 3.01Å
451	F	79.7	Confident	90.7	Very high	90 Å²	90	39.2 Å²	39.2	40%	0.395	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-17.3	-169.7	-52.5	-73.6	0	0	0	115.4	D448 P867 R899	D448-F451 VanDerWaalsContact OD1-CD2 3.32Å; D448-F451 WeakPolarHBondContact OD1-CD2 3.4Å; D448-F451 PolarHBondContact OD1-N 3.42Å; D448-F451 VanDerWaalsContact OD1-N 3.14Å; F451-P867 WeakPolarHBondContact O-CB 3.26Å; F451-R899 PolarHBondContact O-NH2 2.93Å
452	G	81.7	Confident	91	Very high	13 Å²	13	36.1 Å²	36.1	13%	0.134	20%	0.197	C	C	.	.			trans	-71.4	153.4	-177.2	0	0	0	0	0	112.9	D448	D448-G452 VanDerWaalsContact O-CA 3.25Å; D448-G452 WeakPolarHBondContact O-CA 3.1Å; D448-G452 PolarHBondContact O-N 3.32Å
453	T	85.5	Confident	91.4	Very high	20 Å²	20	35.7 Å²	35.7	12%	0.123	20%	0.197	C	C	.	.			trans	-86.7	159.3	175.9	78.8	0	0	0	0	111.5	W447 A455 T456 Q457 P867	W447-T453 PolarHBondContact NE1-O 3.01Å; W447-T453 VanDerWaalsContact NE1-O 3.07Å; T453-A455 VanDerWaalsContact C-N 3.3Å; T453-A455 PolarHBondContact O-N 2.92Å; T453-A455 PolarHBondContact OG1-N 2.88Å; T453-T456 PolarHBondContact O-N 2.86Å; T453-T456 PolarHBondContact OG1-N 2.85Å; T453-T456 PolarHBondContact OG1-OG1 3.3Å; T453-Q457 PolarHBondContact O-N 3.4Å; T453-P867 HydrophobicContact CG2-CB 4.06Å
454	A	88.4	Confident	91.9	Very high	12 Å²	12	34.3 Å²	34.3	10%	0.099	19%	0.185	C	C	.	.	H	α-helix	trans	-57.5	-43.1	171.4	0	0	0	0	0	111.6	T456 Q457 Q458 H824 H827	A454-T456 PolarHBondContact O-N 3.27Å; A454-Q457 WeakPolarHBondContact O-CB 3.28Å; A454-Q457 PolarHBondContact O-N 3.42Å; A454-Q458 PolarHBondContact O-N 2.98Å; A454-H824 PolarHBondContact O-CE1 3.27Å; A454-H827 HydrophobicContact CB-CB 4.11Å
455	A	90.2	Very high	92.2	Very high	39 Å²	39	34 Å²	34	32%	0.322	18%	0.183	S	C	.	.	H	α-helix	trans	-62.8	-40.3	177.7	0	0	0	0	0	112.5	T453 Q458 K459 M828	T453-A455 VanDerWaalsContact C-N 3.3Å; T453-A455 PolarHBondContact O-N 2.92Å; T453-A455 PolarHBondContact OG1-N 2.88Å; A455-Q458 PolarHBondContact O-N 3.22Å; A455-K459 WeakPolarHBondContact O-CB 3.32Å; A455-K459 PolarHBondContact O-N 3.03Å; A455-M828 HydrophobicContact CB-CE 4.29Å; A455-M828 HydrophobicContact CB-SD 4.04Å
456	T	90.2	Very high	92.3	Very high	25 Å²	25	34.7 Å²	34.7	15%	0.153	19%	0.186	C	C	.	.	H	α-helix	trans	-66.6	-39.4	175.3	-47.6	0	0	0	0	111	T453 A454 K459 V460	T453-T456 PolarHBondContact O-N 2.86Å; T453-T456 PolarHBondContact OG1-N 2.85Å; T453-T456 PolarHBondContact OG1-OG1 3.3Å; A454-T456 PolarHBondContact O-N 3.27Å; T456-K459 PolarHBondContact O-N 2.6Å; T456-V460 WeakPolarHBondContact O-CG2 3.4Å; T456-V460 PolarHBondContact O-N 2.83Å
457	Q	94.3	Very high	92.5	Very high	34 Å²	34	34.2 Å²	34.2	16%	0.159	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-48.1	176	-162.3	-177.7	-0.9	0	0	111.2	Y394 W447 T453 A454 V460 A461 W507	Y394-Q457 HydrophobicContact CD1-CG 4.37Å; Y394-Q457 HydrophobicContact CE1-CG 3.74Å; Y394-Q457 HydrophobicContact CE2-CG 4.3Å; W447-Q457 HydrophobicContact CD2-CB 4.01Å; W447-Q457 HydrophobicContact CD2-CG 3.72Å; W447-Q457 VanDerWaalsContact CE2-CB 3.49Å; W447-Q457 HydrophobicContact CE3-CG 4Å; W447-Q457 HydrophobicContact CG-CB 4.23Å; W447-Q457 HydrophobicContact CG-CG 4.25Å; W447-Q457 HydrophobicContact CH2-CG 3.94Å; W447-Q457 HydrophobicContact CZ2-CB 3.81Å; W447-Q457 VanDerWaalsContact CZ2-CD 3.44Å; W447-Q457 HydrophobicContact CZ2-CG 3.68Å; W447-Q457 HydrophobicContact CZ3-CG 4.09Å; T453-Q457 PolarHBondContact O-N 3.4Å; A454-Q457 WeakPolarHBondContact O-CB 3.28Å; A454-Q457 PolarHBondContact O-N 3.42Å; Q457-V460 PolarHBondContact O-N 3.24Å; Q457-A461 PolarHBondContact O-N 3.4Å; Q457-W507 HydrophobicContact CB-CH2 4.38Å; Q457-W507 HydrophobicContact CG-CH2 3.98Å; Q457-W507 HydrophobicContact CG-CZ2 4.35Å
458	Q	96.8	Very high	92.7	Very high	15 Å²	15	32.8 Å²	32.8	7%	0.07	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-47	176.8	-177.3	179.8	-56.2	0	0	111.2	A454 A455 V460 A461 T462 W507 M509 H824	A454-Q458 PolarHBondContact O-N 2.98Å; A455-Q458 PolarHBondContact O-N 3.22Å; Q458-V460 VanDerWaalsContact C-N 3.28Å; Q458-V460 PolarHBondContact O-N 3.17Å; Q458-A461 PolarHBondContact O-N 3.31Å; Q458-A461 VanDerWaalsContact O-N 3.1Å; Q458-T462 WeakPolarHBondContact O-CB 3.26Å; Q458-T462 PolarHBondContact O-N 3.23Å; Q458-T462 PolarHBondContact O-OG1 3.42Å; Q458-W507 VanDerWaalsContact CA-CZ3 3.46Å; Q458-W507 HydrophobicContact CB-CE3 4.08Å; Q458-W507 HydrophobicContact CB-CH2 4.34Å; Q458-W507 HydrophobicContact CB-CZ3 3.76Å; Q458-W507 HydrophobicContact CG-CE3 3.91Å; Q458-W507 HydrophobicContact CG-CZ3 3.94Å; Q458-M509 HydrophobicContact CG-CE 4.44Å; Q458-M509 HydrophobicContact CG-SD 4.25Å; Q458-H824 PolarHBondContact OE1-NE2 2.91Å
459	K	96.3	Very high	93.2	Very high	109 Å²	109	31.4 Å²	31.4	47%	0.474	17%	0.171	S	C	.	.	H	α-helix	trans	-55	-44.6	177.3	-175.1	-179.7	-179.9	-172.1	0	111.9	A455 T456 T462 V463	A455-K459 WeakPolarHBondContact O-CB 3.32Å; A455-K459 PolarHBondContact O-N 3.03Å; T456-K459 PolarHBondContact O-N 2.6Å; K459-T462 PolarHBondContact O-N 2.84Å; K459-V463 HydrophobicContact CG-CG2 4.47Å; K459-V463 WeakPolarHBondContact O-CG2 3.35Å; K459-V463 PolarHBondContact O-N 3.5Å
460	V	97.4	Very high	93.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-47.1	176.6	167.5	0	0	0	0	111.1	Y394 M445 W447 T456 Q457 Q458 T462 I464	Y394-V460 HydrophobicContact CD1-CG1 3.91Å; Y394-V460 HydrophobicContact CE1-CB 4.5Å; Y394-V460 HydrophobicContact CE1-CG1 4.14Å; M445-V460 VanDerWaalsContact O-CG1 3.26Å; M445-V460 WeakPolarHBondContact O-CG1 3.31Å; W447-V460 HydrophobicContact CB-CB 4.49Å; W447-V460 HydrophobicContact CB-CG2 4.12Å; T456-V460 WeakPolarHBondContact O-CG2 3.4Å; T456-V460 PolarHBondContact O-N 2.83Å; Q457-V460 PolarHBondContact O-N 3.24Å; Q458-V460 VanDerWaalsContact C-N 3.28Å; Q458-V460 PolarHBondContact O-N 3.17Å; V460-T462 PolarHBondContact O-N 3.37Å; V460-I464 HydrophobicContact CG1-CD1 3.68Å; V460-I464 HydrophobicContact CG1-CG1 4.45Å; V460-I464 WeakPolarHBondContact O-CB 3.25Å; V460-I464 WeakPolarHBondContact O-CD1 3.34Å; V460-I464 WeakPolarHBondContact O-CG1 3.37Å; V460-I464 PolarHBondContact O-N 3.39Å
461	A	98.8	Very high	94.6	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-43.5	178.3	0	0	0	0	0	112.5	Y394 T398 Q457 Q458 I464 S465 V500 W507	Y394-A461 HydrophobicContact CE1-CB 4.31Å; T398-A461 HydrophobicContact CG2-CB 4.23Å; Q457-A461 PolarHBondContact O-N 3.4Å; Q458-A461 PolarHBondContact O-N 3.31Å; Q458-A461 VanDerWaalsContact O-N 3.1Å; A461-I464 PolarHBondContact O-N 3.44Å; A461-S465 WeakPolarHBondContact O-CB 3.47Å; A461-S465 PolarHBondContact O-N 3.47Å; A461-V500 VanDerWaalsContact C-CG2 3.47Å; A461-V500 HydrophobicContact CB-CG1 4.26Å; A461-V500 HydrophobicContact CB-CG2 3.95Å; A461-V500 WeakPolarHBondContact O-CG2 3.37Å; A461-W507 HydrophobicContact CB-CH2 4.43Å; A461-W507 HydrophobicContact CB-CZ3 3.97Å
462	T	98.8	Very high	95.5	Very high	19 Å²	19	16.3 Å²	16.3	12%	0.117	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-50.8	178.6	-61.3	0	0	0	0	111.4	Q458 K459 V460 I464 S465 H466 E496	Q458-T462 WeakPolarHBondContact O-CB 3.26Å; Q458-T462 PolarHBondContact O-N 3.23Å; Q458-T462 PolarHBondContact O-OG1 3.42Å; K459-T462 PolarHBondContact O-N 2.84Å; V460-T462 PolarHBondContact O-N 3.37Å; T462-I464 PolarHBondContact O-N 2.81Å; T462-S465 WeakPolarHBondContact O-CB 3.25Å; T462-S465 PolarHBondContact O-N 3.48Å; T462-S465 VanDerWaalsContact O-N 3.11Å; T462-H466 PolarHBondContact O-N 3.44Å; T462-E496 HydrophobicContact CG2-CB 4.16Å; T462-E496 HydrophobicContact CG2-CG 3.83Å; T462-E496 WeakPolarHBondContact CG2-OE1 3.2Å
463	V	98.7	Very high	96.3	Very high	26 Å²	26	15.8 Å²	15.8	16%	0.158	9%	0.087	C	C	.	.	H	α-helix	trans	-64.4	-42.7	179.9	178.4	0	0	0	0	110.9	A431 Y440 T444 K459 S465 H466 E467	A431-V463 HydrophobicContact CB-CG1 3.71Å; Y440-V463 HydrophobicContact CD1-CG1 4.02Å; Y440-V463 HydrophobicContact CE1-CG1 3.98Å; T444-V463 HydrophobicContact CG2-CG2 4.35Å; K459-V463 HydrophobicContact CG-CG2 4.47Å; K459-V463 WeakPolarHBondContact O-CG2 3.35Å; K459-V463 PolarHBondContact O-N 3.5Å; V463-S465 VanDerWaalsContact C-N 3.25Å; V463-S465 PolarHBondContact O-N 3.28Å; V463-H466 VanDerWaalsContact O-CB 3.29Å; V463-H466 WeakPolarHBondContact O-CB 3.15Å; V463-H466 PolarHBondContact O-N 3.16Å; V463-H466 VanDerWaalsContact O-N 3.13Å; V463-E467 HydrophobicContact CG1-CG 4.39Å; V463-E467 WeakPolarHBondContact O-CG 3.5Å; V463-E467 PolarHBondContact O-N 2.57Å
464	I	98.9	Very high	96.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58	-42.6	174.1	-67.6	171.7	0	0	0	110.8	A395 T398 I402 M421 Y440 V460 A461 T462 H466 E467 V468	A395-I464 HydrophobicContact CB-CD1 3.67Å; T398-I464 HydrophobicContact CG2-CB 4.5Å; T398-I464 HydrophobicContact CG2-CD1 4.41Å; T398-I464 HydrophobicContact CG2-CG2 4.24Å; I402-I464 HydrophobicContact CD1-CG2 4.38Å; M421-I464 HydrophobicContact CE-CD1 3.74Å; M421-I464 HydrophobicContact CE-CG1 3.59Å; M421-I464 HydrophobicContact CE-CG2 4.25Å; Y440-I464 HydrophobicContact CE1-CG1 4.18Å; V460-I464 HydrophobicContact CG1-CD1 3.68Å; V460-I464 HydrophobicContact CG1-CG1 4.45Å; V460-I464 WeakPolarHBondContact O-CB 3.25Å; V460-I464 WeakPolarHBondContact O-CD1 3.34Å; V460-I464 WeakPolarHBondContact O-CG1 3.37Å; V460-I464 PolarHBondContact O-N 3.39Å; A461-I464 PolarHBondContact O-N 3.44Å; T462-I464 PolarHBondContact O-N 2.81Å; I464-H466 VanDerWaalsContact C-N 3.3Å; I464-H466 PolarHBondContact O-N 2.89Å; I464-E467 PolarHBondContact O-N 3.13Å; I464-V468 HydrophobicContact CG2-CG2 4.25Å; I464-V468 WeakPolarHBondContact O-CB 3.44Å; I464-V468 WeakPolarHBondContact O-CG2 3.15Å; I464-V468 PolarHBondContact O-N 3.3Å
465	S	98.9	Very high	97.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.2	-37.2	178.4	-161.5	0	0	0	0	112.8	F406 A461 T462 V463 A469 E496 G499	F406-S465 WeakPolarHBondContact CE2-O 3.21Å; F406-S465 WeakPolarHBondContact CZ-OG 3.35Å; A461-S465 WeakPolarHBondContact O-CB 3.47Å; A461-S465 PolarHBondContact O-N 3.47Å; T462-S465 WeakPolarHBondContact O-CB 3.25Å; T462-S465 PolarHBondContact O-N 3.48Å; T462-S465 VanDerWaalsContact O-N 3.11Å; V463-S465 VanDerWaalsContact C-N 3.25Å; V463-S465 PolarHBondContact O-N 3.28Å; S465-A469 WeakPolarHBondContact O-CB 3.41Å; S465-A469 PolarHBondContact O-N 3.03Å; S465-E496 WeakPolarHBondContact CB-O 3.22Å; S465-E496 WeakPolarHBondContact OG-CA 3.41Å; S465-E496 PolarHBondContact OG-O 3.34Å; S465-G499 VanDerWaalsContact OG-CA 3.31Å; S465-G499 WeakPolarHBondContact OG-CA 3.23Å
466	H	98.8	Very high	97.7	Very high	14 Å²	14	12.6 Å²	12.6	7%	0.065	6%	0.062	C	C	.	.	H	α-helix	trans	-59.9	-55.5	175.6	-166.8	101.4	0	0	0	111.2	T462 V463 I464 V468 A469 H470 E489 A492 S493 E496 Y552	T462-H466 PolarHBondContact O-N 3.44Å; V463-H466 VanDerWaalsContact O-CB 3.29Å; V463-H466 WeakPolarHBondContact O-CB 3.15Å; V463-H466 PolarHBondContact O-N 3.16Å; V463-H466 VanDerWaalsContact O-N 3.13Å; I464-H466 VanDerWaalsContact C-N 3.3Å; I464-H466 PolarHBondContact O-N 2.89Å; H466-V468 VanDerWaalsContact C-N 3.29Å; H466-V468 PolarHBondContact O-N 3.4Å; H466-A469 WeakPolarHBondContact O-CB 3.39Å; H466-A469 PolarHBondContact O-N 3.24Å; H466-H470 AromaticContact CD2-CD2 3.63Å; H466-H470 AromaticContact CD2-NE2 3.44Å; H466-H470 PolarHBondContact CD2-NE2 2.77Å; H466-H470 AromaticContact NE2-CD2 4Å; H466-H470 AromaticContact NE2-NE2 3.3Å; H466-H470 PolarHBondContact NE2-NE2 2.79Å; H466-H470 PolarHBondContact O-CD2 3.01Å; H466-H470 PolarHBondContact O-N 2.73Å; H466-E489 IonicContact NE2-OE2 3.12Å; H466-A492 WeakPolarHBondContact NE2-CB 3.22Å; H466-S493 PolarHBondContact CE1-N 2.79Å; H466-S493 PolarHBondContact CE1-OG 3.18Å; H466-E496 HydrophobicContact CB-CB 4.16Å; H466-E496 IonicContact CE1-OE2 3.33Å; H466-E496 IonicContact CG-OE2 2.82Å; H466-E496 IonicContact ND1-OE2 3.01Å; H466-E496 PolarHBondContact ND1-OE2 3.48Å; H466-Y552 AromaticContact CE1-CD1 4Å; H466-Y552 AromaticContact CE1-CE1 3.93Å; H466-Y552 AromaticContact NE2-CE1 3.9Å
467	E	98.8	Very high	98.2	Very high	11 Å²	11	11.5 Å²	11.5	5%	0.051	6%	0.055	C	C	.	.	H	α-helix	trans	-64.2	-33.1	-178.7	-55.7	-44.4	133.3	0	0	112.8	A431 E433 M438 Y440 V463 I464 H470 Q471	A431-E467 HydrophobicContact CB-CG 3.7Å; A431-E467 WeakPolarHBondContact CB-OE1 3.35Å; E433-E467 WeakPolarHBondContact CA-OE2 3.3Å; E433-E467 PolarHBondContact N-OE2 3.43Å; M438-E467 HydrophobicContact CG-CB 4.27Å; M438-E467 HydrophobicContact SD-CB 3.5Å; M438-E467 VanDerWaalsContact SD-CB 3.5Å; Y440-E467 HydrophobicContact CD1-CG 4.48Å; Y440-E467 HydrophobicContact CE1-CB 4.32Å; Y440-E467 HydrophobicContact CE1-CG 3.56Å; Y440-E467 VanDerWaalsContact OH-CB 3.26Å; Y440-E467 WeakPolarHBondContact OH-CB 3.42Å; Y440-E467 WeakPolarHBondContact OH-CG 3.45Å; V463-E467 HydrophobicContact CG1-CG 4.39Å; V463-E467 WeakPolarHBondContact O-CG 3.5Å; V463-E467 PolarHBondContact O-N 2.57Å; I464-E467 PolarHBondContact O-N 3.13Å; E467-H470 PolarHBondContact O-N 3.24Å; E467-Q471 PolarHBondContact O-NE2 2.82Å
468	V	98.7	Very high	98.3	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-74.2	-32.3	175.7	178.9	0	0	0	0	111.3	I402 I403 F406 M438 I464 H466 H470 Q471 W472	I402-V468 HydrophobicContact CG2-CB 4.04Å; I402-V468 HydrophobicContact CG2-CG1 3.88Å; I403-V468 HydrophobicContact CB-CG1 3.78Å; I403-V468 HydrophobicContact CG1-CG1 3.98Å; F406-V468 HydrophobicContact CD2-CB 4.48Å; F406-V468 HydrophobicContact CD2-CG1 3.92Å; F406-V468 HydrophobicContact CE2-CB 4.5Å; F406-V468 HydrophobicContact CE2-CG1 4.39Å; M438-V468 HydrophobicContact CE-CG2 4.01Å; M438-V468 HydrophobicContact SD-CG2 4.14Å; I464-V468 HydrophobicContact CG2-CG2 4.25Å; I464-V468 WeakPolarHBondContact O-CB 3.44Å; I464-V468 WeakPolarHBondContact O-CG2 3.15Å; I464-V468 PolarHBondContact O-N 3.3Å; H466-V468 VanDerWaalsContact C-N 3.29Å; H466-V468 PolarHBondContact O-N 3.4Å; V468-H470 PolarHBondContact O-N 3.22Å; V468-Q471 WeakPolarHBondContact O-CB 3.42Å; V468-Q471 VanDerWaalsContact O-CG 3.23Å; V468-Q471 WeakPolarHBondContact O-CG 3.48Å; V468-Q471 PolarHBondContact O-N 2.9Å; V468-W472 HydrophobicContact CG1-CZ3 4.31Å; V468-W472 VanDerWaalsContact O-CZ3 3.32Å; V468-W472 WeakPolarHBondContact O-CZ3 3.48Å
469	A	98.8	Very high	98.4	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63	-35.9	174.2	0	0	0	0	0	111.4	F406 S465 H466 Q471 W472 F473 A492 A495	F406-A469 HydrophobicContact CD2-CB 4.33Å; F406-A469 HydrophobicContact CE2-CB 3.66Å; F406-A469 HydrophobicContact CZ-CB 4.26Å; S465-A469 WeakPolarHBondContact O-CB 3.41Å; S465-A469 PolarHBondContact O-N 3.03Å; H466-A469 WeakPolarHBondContact O-CB 3.39Å; H466-A469 PolarHBondContact O-N 3.24Å; A469-Q471 PolarHBondContact O-N 2.86Å; A469-Q471 VanDerWaalsContact O-N 3.08Å; A469-W472 PolarHBondContact O-N 3.04Å; A469-F473 PolarHBondContact O-N 2.9Å; A469-A492 HydrophobicContact CB-CB 4.35Å; A469-A495 HydrophobicContact CB-CB 3.69Å
470	H	98.7	Very high	98.4	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.9	178.9	-83.2	-66.2	0	0	0	114.7	E433 H466 E467 V468 W472 F473 N475 E489 A492	E433-H470 HydrophobicContact CB-CB 3.26Å; E433-H470 HydrophobicContact CG-CB 3.6Å; H466-H470 AromaticContact CD2-CD2 3.63Å; H466-H470 AromaticContact CD2-NE2 3.44Å; H466-H470 PolarHBondContact CD2-NE2 2.77Å; H466-H470 AromaticContact NE2-CD2 4Å; H466-H470 AromaticContact NE2-NE2 3.3Å; H466-H470 PolarHBondContact NE2-NE2 2.79Å; H466-H470 PolarHBondContact O-CD2 3.01Å; H466-H470 PolarHBondContact O-N 2.73Å; E467-H470 PolarHBondContact O-N 3.24Å; V468-H470 PolarHBondContact O-N 3.22Å; H470-W472 PolarHBondContact O-N 3Å; H470-F473 CarbonylContact C-O 3.25Å; H470-F473 WeakPolarHBondContact CA-O 3.29Å; H470-F473 PolarHBondContact ND1-O 2.8Å; H470-F473 CarbonylContact O-C 3.55Å; H470-F473 PolarHBondContact O-N 3.43Å; H470-N475 WeakPolarHBondContact O-CB 3.44Å; H470-N475 PolarHBondContact O-N 2.97Å; H470-N475 VanDerWaalsContact O-N 3.1Å; H470-N475 PolarHBondContact O-OD1 3.33Å; H470-E489 IonicContact CE1-OE1 3.96Å; H470-E489 IonicContact CE1-OE2 3.65Å; H470-E489 IonicContact NE2-OE1 3.3Å; H470-E489 IonicContact NE2-OE2 2.83Å; H470-A492 VanDerWaalsContact NE2-CB 3.26Å; H470-A492 WeakPolarHBondContact NE2-CB 3.37Å
471	Q	98.3	Very high	98.3	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.7	174.6	-52.6	-47	-57	0	0	112.1	Y414 E433 E467 V468 A469 N475 L476	Y414-Q471 HydrophobicContact CD2-CB 3.89Å; Y414-Q471 HydrophobicContact CD2-CG 4.23Å; Y414-Q471 HydrophobicContact CE2-CB 3.83Å; Y414-Q471 HydrophobicContact CE2-CG 3.78Å; E433-Q471 PolarHBondContact O-NE2 2.67Å; E467-Q471 PolarHBondContact O-NE2 2.82Å; V468-Q471 WeakPolarHBondContact O-CB 3.42Å; V468-Q471 VanDerWaalsContact O-CG 3.23Å; V468-Q471 WeakPolarHBondContact O-CG 3.48Å; V468-Q471 PolarHBondContact O-N 2.9Å; A469-Q471 PolarHBondContact O-N 2.86Å; A469-Q471 VanDerWaalsContact O-N 3.08Å; Q471-N475 PolarHBondContact NE2-ND2 3.14Å; Q471-N475 PolarHBondContact OE1-ND2 3.25Å; Q471-L476 VanDerWaalsContact O-CB 3.28Å; Q471-L476 WeakPolarHBondContact O-CB 3.3Å; Q471-L476 PolarHBondContact O-N 2.79Å
472	W	98.6	Very high	98.1	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.008	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-40.4	170.2	-66.8	-96.8	0	0	0	112.8	I403 F406 E407 F410 L412 V468 A469 H470 V477 L579	I403-W472 HydrophobicContact CG1-CH2 4.27Å; F406-W472 HydrophobicContact CB-CE3 4.01Å; F406-W472 HydrophobicContact CB-CH2 3.42Å; F406-W472 VanDerWaalsContact CB-CH2 3.42Å; F406-W472 HydrophobicContact CB-CZ2 4.11Å; F406-W472 HydrophobicContact CB-CZ3 3.35Å; F406-W472 HydrophobicContact CD2-CE3 4.39Å; F406-W472 AromaticContact CD2-CZ3 3.95Å; F406-W472 HydrophobicContact CD2-CZ3 3.95Å; F406-W472 HydrophobicContact CG-CZ3 4.17Å; E407-W472 HydrophobicContact CB-CZ2 4.31Å; E407-W472 HydrophobicContact CG-CH2 4.07Å; E407-W472 HydrophobicContact CG-CZ2 3.66Å; F410-W472 HydrophobicContact CB-CG 4.46Å; F410-W472 HydrophobicContact CD2-CB 4.33Å; F410-W472 AromaticContact CD2-CD2 3.64Å; F410-W472 HydrophobicContact CD2-CD2 3.64Å; F410-W472 AromaticContact CD2-CE2 3.98Å; F410-W472 AromaticContact CD2-CE3 3.98Å; F410-W472 HydrophobicContact CD2-CE3 3.98Å; F410-W472 AromaticContact CD2-CG 3.79Å; F410-W472 HydrophobicContact CD2-CG 3.79Å; F410-W472 HydrophobicContact CE2-CD2 4.23Å; F410-W472 HydrophobicContact CE2-CE3 4.16Å; F410-W472 HydrophobicContact CE2-CG 4.46Å; F410-W472 HydrophobicContact CG-CG 4.31Å; L412-W472 PolarHBondContact O-NE1 3.13Å; L412-W472 VanDerWaalsContact O-NE1 3.1Å; V468-W472 HydrophobicContact CG1-CZ3 4.31Å; V468-W472 VanDerWaalsContact O-CZ3 3.32Å; V468-W472 WeakPolarHBondContact O-CZ3 3.48Å; A469-W472 PolarHBondContact O-N 3.04Å; H470-W472 PolarHBondContact O-N 3Å; W472-V477 PolarHBondContact O-N 3.44Å; W472-L579 HydrophobicContact CB-CD1 4.1Å; W472-L579 HydrophobicContact CB-CD2 4.16Å; W472-L579 HydrophobicContact CG-CD1 4.46Å; W472-L579 WeakPolarHBondContact O-CD2 3.43Å
473	F	98.5	Very high	97.8	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.009	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	-109.1	110.3	-176.5	-54.2	-81.2	0	0	0	112.4	F410 A469 H470 F491 V575 L579	F410-F473 HydrophobicContact CD1-CE2 4.26Å; F410-F473 HydrophobicContact CD1-CZ 4.23Å; F410-F473 AromaticContact CE1-CE2 3.6Å; F410-F473 HydrophobicContact CE1-CE2 3.6Å; F410-F473 AromaticContact CE1-CZ 3.8Å; F410-F473 HydrophobicContact CE1-CZ 3.8Å; F410-F473 HydrophobicContact CE2-CE2 4.09Å; F410-F473 AromaticContact CZ-CE2 3.54Å; F410-F473 HydrophobicContact CZ-CE2 3.54Å; F410-F473 HydrophobicContact CZ-CZ 4.22Å; A469-F473 PolarHBondContact O-N 2.9Å; H470-F473 CarbonylContact C-O 3.25Å; H470-F473 WeakPolarHBondContact CA-O 3.29Å; H470-F473 PolarHBondContact ND1-O 2.8Å; H470-F473 CarbonylContact O-C 3.55Å; H470-F473 PolarHBondContact O-N 3.43Å; F473-F491 HydrophobicContact CB-CB 3.83Å; F473-F491 HydrophobicContact CD1-CB 3.7Å; F473-F491 AromaticContact CD1-CD1 3.7Å; F473-F491 HydrophobicContact CD1-CD1 3.7Å; F473-F491 AromaticContact CD1-CD2 3.92Å; F473-F491 HydrophobicContact CD1-CD2 3.92Å; F473-F491 HydrophobicContact CD1-CE1 4.25Å; F473-F491 HydrophobicContact CD1-CE2 4.43Å; F473-F491 AromaticContact CD1-CG 3.49Å; F473-F491 HydrophobicContact CD1-CG 3.49Å; F473-F491 VanDerWaalsContact CD1-CG 3.49Å; F473-F491 HydrophobicContact CD2-CB 3.85Å; F473-F491 HydrophobicContact CD2-CD1 4.28Å; F473-F491 HydrophobicContact CD2-CG 4.31Å; F473-F491 HydrophobicContact CE1-CB 4.2Å; F473-F491 AromaticContact CE1-CD1 3.29Å; F473-F491 HydrophobicContact CE1-CD1 3.29Å; F473-F491 HydrophobicContact CE1-CD2 4.16Å; F473-F491 AromaticContact CE1-CE1 3.53Å; F473-F491 HydrophobicContact CE1-CE1 3.53Å; F473-F491 HydrophobicContact CE1-CE2 4.34Å; F473-F491 AromaticContact CE1-CG 3.63Å; F473-F491 HydrophobicContact CE1-CG 3.63Å; F473-F491 HydrophobicContact CE1-CZ 4.05Å; F473-F491 HydrophobicContact CE2-CB 4.33Å; F473-F491 AromaticContact CE2-CD1 3.93Å; F473-F491 HydrophobicContact CE2-CD1 3.93Å; F473-F491 HydrophobicContact CE2-CG 4.41Å; F473-F491 HydrophobicContact CG-CB 3.51Å; F473-F491 HydrophobicContact CG-CD1 4.17Å; F473-F491 AromaticContact CG-CG 3.86Å; F473-F491 HydrophobicContact CG-CG 3.86Å; F473-F491 HydrophobicContact CZ-CB 4.49Å; F473-F491 AromaticContact CZ-CD1 3.43Å; F473-F491 HydrophobicContact CZ-CD1 3.43Å; F473-F491 VanDerWaalsContact CZ-CD1 3.43Å; F473-F491 AromaticContact CZ-CE1 3.79Å; F473-F491 HydrophobicContact CZ-CE1 3.79Å; F473-F491 HydrophobicContact CZ-CG 4.1Å; F473-V575 HydrophobicContact CE1-CG1 3.9Å; F473-V575 HydrophobicContact CZ-CG1 3.58Å; F473-L579 HydrophobicContact CD1-CD2 3.99Å; F473-L579 HydrophobicContact CE1-CD1 4.11Å; F473-L579 HydrophobicContact CE1-CD2 3.74Å; F473-L579 HydrophobicContact CE1-CG 4.11Å; F473-L579 HydrophobicContact CE2-CD1 4.48Å; F473-L579 HydrophobicContact CZ-CD1 3.83Å; F473-L579 HydrophobicContact CZ-CD2 4.25Å; F473-L579 HydrophobicContact CZ-CG 4.34Å
474	G	97.7	Very high	97.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.1	-38.5	-172.1	0	0	0	0	0	112.5	Y358 V477 T478 N488	Y358-G474 VanDerWaalsContact OH-C 3.27Å; Y358-G474 PolarHBondContact OH-O 2.92Å; G474-V477 CarbonylContact C-O 3.52Å; G474-V477 WeakPolarHBondContact CA-O 3.1Å; G474-V477 PolarHBondContact N-O 2.85Å; G474-T478 WeakPolarHBondContact O-CB 3.23Å; G474-T478 WeakPolarHBondContact O-CG2 3.38Å; G474-T478 PolarHBondContact O-OG1 3.44Å; G474-N488 WeakPolarHBondContact CA-ND2 3.5Å; G474-N488 VanDerWaalsContact CA-OD1 3.26Å; G474-N488 WeakPolarHBondContact CA-OD1 3.12Å; G474-N488 PolarHBondContact N-OD1 3.4Å
475	N	98.5	Very high	97.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-75	178.6	-63.5	8.1	0	0	0	111.7	K313 L359 E433 W435 H470 Q471 T478	K313-N475 PolarHBondContact NZ-O 2.92Å; L359-N475 HydrophobicContact CD1-CB 4.2Å; L359-N475 WeakPolarHBondContact CD2-OD1 3.33Å; E433-N475 PolarHBondContact O-ND2 2.88Å; W435-N475 HydrophobicContact CD2-CB 3.68Å; W435-N475 HydrophobicContact CE3-CB 3.72Å; W435-N475 HydrophobicContact CG-CB 4.18Å; W435-N475 HydrophobicContact CH2-CB 4.25Å; W435-N475 HydrophobicContact CZ2-CB 4.15Å; W435-N475 VanDerWaalsContact CZ3-C 3.48Å; W435-N475 HydrophobicContact CZ3-CB 4.02Å; W435-N475 VanDerWaalsContact CZ3-O 3.29Å; W435-N475 WeakPolarHBondContact CZ3-O 3.34Å; H470-N475 WeakPolarHBondContact O-CB 3.44Å; H470-N475 PolarHBondContact O-N 2.97Å; H470-N475 VanDerWaalsContact O-N 3.1Å; H470-N475 PolarHBondContact O-OD1 3.33Å; Q471-N475 PolarHBondContact NE2-ND2 3.14Å; Q471-N475 PolarHBondContact OE1-ND2 3.25Å; N475-T478 PolarHBondContact O-OG1 2.84Å
476	L	98.5	Very high	97.5	Very high	5 Å²	5	7.4 Å²	7.4	3%	0.026	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-47.3	-177.7	-174	65.4	0	0	0	111.7	L412 W435 Q471 K583 Y584	L412-L476 HydrophobicContact CD2-CD2 3.31Å; W435-L476 VanDerWaalsContact CH2-CA 3.48Å; W435-L476 HydrophobicContact CH2-CB 4.14Å; W435-L476 HydrophobicContact CH2-CD1 4.04Å; W435-L476 HydrophobicContact CZ2-CB 4.16Å; W435-L476 HydrophobicContact CZ2-CD1 4.2Å; Q471-L476 VanDerWaalsContact O-CB 3.28Å; Q471-L476 WeakPolarHBondContact O-CB 3.3Å; Q471-L476 PolarHBondContact O-N 2.79Å; L476-K583 HydrophobicContact CD1-CB 3.94Å; L476-K583 HydrophobicContact CD2-CB 4.16Å; L476-K583 HydrophobicContact CG-CB 3.92Å; L476-Y584 HydrophobicContact CD1-CD1 3.81Å; L476-Y584 HydrophobicContact CD1-CD2 4.26Å; L476-Y584 HydrophobicContact CD1-CE1 3.51Å; L476-Y584 HydrophobicContact CD1-CE2 4.01Å; L476-Y584 HydrophobicContact CD1-CG 4.17Å; L476-Y584 WeakPolarHBondContact O-CA 3.3Å; L476-Y584 PolarHBondContact O-N 2.85Å
477	V	98.6	Very high	97.5	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.012	4%	0.035	C	C	.	.	B	Isolated β-bridge	trans	-114.7	117	169.3	-175.8	0	0	0	0	107.5	W472 G474 Y578 L579 N582 T587	W472-V477 PolarHBondContact O-N 3.44Å; G474-V477 CarbonylContact C-O 3.52Å; G474-V477 WeakPolarHBondContact CA-O 3.1Å; G474-V477 PolarHBondContact N-O 2.85Å; V477-Y578 HydrophobicContact CG1-CE1 4.02Å; V477-Y578 HydrophobicContact CG1-CE2 4.37Å; V477-Y578 WeakPolarHBondContact CG1-OH 3.28Å; V477-L579 HydrophobicContact CB-CD2 4.17Å; V477-L579 HydrophobicContact CG2-CD2 3.75Å; V477-N582 HydrophobicContact CG1-CB 3.81Å; V477-N582 HydrophobicContact CG2-CB 4.04Å; V477-T587 HydrophobicContact CG1-CG2 3.51Å
478	T	98.4	Very high	97.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	148.8	-177.3	-50.3	0	0	0	0	109.1	P310 K313 Y358 G474 N475 K585 N586 T587	P310-T478 HydrophobicContact CB-CG2 4.18Å; K313-T478 WeakPolarHBondContact CE-OG1 3.11Å; K313-T478 PolarHBondContact NZ-OG1 3.43Å; Y358-T478 HydrophobicContact CE1-CG2 3.93Å; G474-T478 WeakPolarHBondContact O-CB 3.23Å; G474-T478 WeakPolarHBondContact O-CG2 3.38Å; G474-T478 PolarHBondContact O-OG1 3.44Å; N475-T478 PolarHBondContact O-OG1 2.84Å; T478-K585 PolarHBondContact N-O 2.92Å; T478-K585 VanDerWaalsContact N-O 3.17Å; T478-N586 CarbonylContact O-C 3.53Å; T478-N586 WeakPolarHBondContact O-CA 3.34Å; T478-T587 PolarHBondContact O-N 3.42Å; T478-T587 PolarHBondContact O-OG1 2.79Å
479	L	97.8	Very high	97.4	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	153.8	162.8	57.1	85.2	0	0	0	111.7	P310 W481 W482 D484 L485 N488 N586 T587	P310-L479 HydrophobicContact CB-CD1 3.57Å; P310-L479 HydrophobicContact CG-CD1 3.51Å; L479-W481 WeakPolarHBondContact CD1-O 3.4Å; L479-W482 HydrophobicContact CD1-CD2 4.43Å; L479-W482 HydrophobicContact CD1-CE3 4.2Å; L479-W482 HydrophobicContact CD2-CE3 4.18Å; L479-W482 HydrophobicContact CD2-CZ3 4.35Å; L479-D484 HydrophobicContact CB-CB 4.07Å; L479-L485 VanDerWaalsContact CD2-CA 3.45Å; L479-L485 HydrophobicContact CD2-CB 4.49Å; L479-L485 HydrophobicContact CD2-CD1 4.45Å; L479-N488 WeakPolarHBondContact CD2-ND2 3.31Å; L479-N586 PolarHBondContact O-ND2 2.92Å; L479-T587 CarbonylContact C-O 3.57Å; L479-T587 WeakPolarHBondContact CA-O 3.07Å
480	N	95.7	Very high	97.4	Very high	54 Å²	54	6.6 Å²	6.6	29%	0.289	3%	0.033	S	C	.	.	S	Bend	trans	-81.9	-36.3	175.8	-169.7	73.3	0	0	0	112.2	G311 N586 T587 V588	G311-N480 PolarHBondContact N-O 2.81Å; N480-N586 HydrophobicContact CB-CB 4.12Å; N480-T587 WeakPolarHBondContact CB-O 3.44Å; N480-T587 PolarHBondContact N-O 2.96Å; N480-V588 HydrophobicContact CB-CG1 4Å
481	W	95.6	Very high	97.4	Very high	18 Å²	18	6.7 Å²	6.7	7%	0.068	3%	0.034	C	C	.	.	S	Bend	trans	-147.8	161.8	175.7	-168.1	-114.8	0	0	0	110.7	V135 R136 E309 P310 L479 D483 D484 V537	V135-W481 HydrophobicContact CG2-CZ2 4.12Å; R136-W481 HydrophobicContact CG-CD2 3.96Å; R136-W481 HydrophobicContact CG-CE3 3.94Å; R136-W481 HydrophobicContact CG-CH2 3.54Å; R136-W481 HydrophobicContact CG-CZ2 3.53Å; R136-W481 HydrophobicContact CG-CZ3 3.73Å; E309-W481 HydrophobicContact CB-CZ3 3.76Å; E309-W481 HydrophobicContact CG-CH2 4.04Å; E309-W481 HydrophobicContact CG-CZ3 3.58Å; E309-W481 WeakPolarHBondContact OE2-CZ3 3.31Å; P310-W481 HydrophobicContact CG-CE3 4.26Å; L479-W481 WeakPolarHBondContact CD1-O 3.4Å; W481-D483 VanDerWaalsContact C-OD1 3.29Å; W481-D483 WeakPolarHBondContact CB-OD1 3.5Å; W481-D483 PolarHBondContact O-N 2.79Å; W481-D483 VanDerWaalsContact O-N 3.15Å; W481-D483 VanDerWaalsContact O-OD1 3.12Å; W481-D484 PolarHBondContact O-N 2.8Å; W481-D484 VanDerWaalsContact O-N 3.12Å; W481-V537 PolarHBondContact NE1-O 2.9Å
482	W	94.5	Very high	97.4	Very high	1 Å²	1	6.6 Å²	6.6	0%	0.004	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-66.8	-13.1	-170.9	-66.5	113.6	0	0	0	114.5	Q296 P297 P310 Y358 L479 D484 L485 V537 I543 I546 F547	Q296-W482 HydrophobicContact CG-CH2 3.97Å; P297-W482 HydrophobicContact CB-CD2 4.36Å; P297-W482 HydrophobicContact CB-CH2 3.91Å; P297-W482 HydrophobicContact CB-CZ2 3.54Å; P297-W482 HydrophobicContact CB-CZ3 4.44Å; P297-W482 VanDerWaalsContact O-CZ2 3.31Å; P297-W482 WeakPolarHBondContact O-CZ2 3.24Å; P310-W482 HydrophobicContact CB-CZ2 4.45Å; P310-W482 HydrophobicContact CG-CD2 4.3Å; P310-W482 HydrophobicContact CG-CZ2 4.22Å; Y358-W482 HydrophobicContact CD1-CH2 4.2Å; Y358-W482 HydrophobicContact CD1-CZ2 4.48Å; Y358-W482 HydrophobicContact CD2-CH2 4.49Å; Y358-W482 HydrophobicContact CE1-CH2 4.5Å; Y358-W482 HydrophobicContact CG-CH2 4.22Å; L479-W482 HydrophobicContact CD1-CD2 4.43Å; L479-W482 HydrophobicContact CD1-CE3 4.2Å; L479-W482 HydrophobicContact CD2-CE3 4.18Å; L479-W482 HydrophobicContact CD2-CZ3 4.35Å; W482-D484 PolarHBondContact O-N 2.92Å; W482-L485 HydrophobicContact CE3-CD1 3.86Å; W482-L485 HydrophobicContact CZ3-CD1 3.81Å; W482-L485 WeakPolarHBondContact O-CB 3.49Å; W482-L485 PolarHBondContact O-N 3.34Å; W482-V537 HydrophobicContact CB-CB 4.49Å; W482-V537 HydrophobicContact CB-CG2 4.36Å; W482-I543 HydrophobicContact CB-CG1 4.05Å; W482-I543 HydrophobicContact CB-CG2 3.95Å; W482-I543 HydrophobicContact CD2-CG2 3.74Å; W482-I543 HydrophobicContact CE3-CG2 4.09Å; W482-I543 HydrophobicContact CG-CB 4.46Å; W482-I543 HydrophobicContact CG-CD1 3.94Å; W482-I543 HydrophobicContact CG-CG1 3.9Å; W482-I543 HydrophobicContact CG-CG2 3.68Å; W482-I546 WeakPolarHBondContact O-CD1 2.8Å; W482-F547 HydrophobicContact CZ3-CZ 4.32Å
483	D	93.4	Very high	97.4	Very high	42 Å²	42	6.7 Å²	6.7	23%	0.225	3%	0.034	C	C	.	.	G	3₁₀ helix	trans	-61.3	-20.6	170.5	57.4	-13	0	0	0	113.4	W481 Q535	W481-D483 VanDerWaalsContact C-OD1 3.29Å; W481-D483 WeakPolarHBondContact CB-OD1 3.5Å; W481-D483 PolarHBondContact O-N 2.79Å; W481-D483 VanDerWaalsContact O-N 3.15Å; W481-D483 VanDerWaalsContact O-OD1 3.12Å; D483-Q535 VanDerWaalsContact CA-O 3.23Å; D483-Q535 WeakPolarHBondContact CA-O 3.39Å; D483-Q535 WeakPolarHBondContact CB-O 3.48Å
484	D	96.1	Very high	97.5	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-104.4	24.9	173.9	-93.1	-36.8	0	0	0	113.6	L479 W481 W482 W486 L487 V588 H589	L479-D484 HydrophobicContact CB-CB 4.07Å; W481-D484 PolarHBondContact O-N 2.8Å; W481-D484 VanDerWaalsContact O-N 3.12Å; W482-D484 PolarHBondContact O-N 2.92Å; D484-W486 PolarHBondContact O-N 3.39Å; D484-W486 PolarHBondContact OD1-NE1 3.42Å; D484-L487 HydrophobicContact CB-CD1 3.89Å; D484-L487 HydrophobicContact CB-CG 4.22Å; D484-L487 WeakPolarHBondContact O-CB 3.41Å; D484-L487 PolarHBondContact O-N 3.02Å; D484-V588 WeakPolarHBondContact OD2-CA 3.28Å; D484-H589 WeakPolarHBondContact OD1-CB 3.45Å; D484-H589 IonicContact OD1-CE1 3.69Å; D484-H589 IonicContact OD1-CG 3.83Å; D484-H589 IonicContact OD1-ND1 2.83Å; D484-H589 PolarHBondContact OD1-ND1 3.45Å; D484-H589 IonicContact OD2-CE1 2.68Å; D484-H589 IonicContact OD2-CG 3.22Å; D484-H589 PolarHBondContact OD2-N 2.97Å; D484-H589 IonicContact OD2-ND1 3.97Å; D484-H589 PolarHBondContact OD2-ND1 3.27Å
485	L	96.7	Very high	97.5	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.01	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-37	177.6	179.1	62.9	0	0	0	113.6	L479 W482 L487 N488 E489 I546 F547	L479-L485 VanDerWaalsContact CD2-CA 3.45Å; L479-L485 HydrophobicContact CD2-CB 4.49Å; L479-L485 HydrophobicContact CD2-CD1 4.45Å; W482-L485 HydrophobicContact CE3-CD1 3.86Å; W482-L485 HydrophobicContact CZ3-CD1 3.81Å; W482-L485 WeakPolarHBondContact O-CB 3.49Å; W482-L485 PolarHBondContact O-N 3.34Å; L485-L487 PolarHBondContact O-N 3.07Å; L485-L487 VanDerWaalsContact O-N 3.17Å; L485-N488 PolarHBondContact O-N 3.45Å; L485-E489 HydrophobicContact CD1-CG 3.74Å; L485-E489 HydrophobicContact CD2-CG 4.45Å; L485-E489 HydrophobicContact CG-CG 3.84Å; L485-E489 PolarHBondContact O-N 2.95Å; L485-E489 VanDerWaalsContact O-N 3.14Å; L485-I546 HydrophobicContact CB-CD1 3.89Å; L485-I546 HydrophobicContact CD2-CD1 3.9Å; L485-I546 HydrophobicContact CD2-CG1 3.82Å; L485-F547 HydrophobicContact CD1-CD1 4.41Å; L485-F547 HydrophobicContact CD1-CE1 3.65Å; L485-F547 HydrophobicContact CD1-CE2 4.36Å; L485-F547 HydrophobicContact CD1-CZ 3.62Å; L485-F547 HydrophobicContact CD2-CD1 3.8Å; L485-F547 HydrophobicContact CD2-CD2 3.91Å; L485-F547 HydrophobicContact CD2-CE1 3.83Å; L485-F547 HydrophobicContact CD2-CE2 3.97Å; L485-F547 HydrophobicContact CD2-CG 3.84Å; L485-F547 HydrophobicContact CD2-CZ 3.92Å; L485-F547 HydrophobicContact CG-CE1 4.32Å; L485-F547 HydrophobicContact CG-CZ 4.45Å
486	W	97.6	Very high	97.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-59.5	-24.8	178.6	79.9	-85.3	0	0	0	114.2	D484 N488 G490 F491 V533 L559 H589 L592 W593 M617	D484-W486 PolarHBondContact O-N 3.39Å; D484-W486 PolarHBondContact OD1-NE1 3.42Å; W486-N488 PolarHBondContact O-N 3.19Å; W486-G490 VanDerWaalsContact O-CA 3.22Å; W486-G490 WeakPolarHBondContact O-CA 3.48Å; W486-G490 PolarHBondContact O-N 3.3Å; W486-F491 HydrophobicContact CZ3-CE2 4.46Å; W486-V533 HydrophobicContact CB-CG1 3.44Å; W486-V533 VanDerWaalsContact CB-CG1 3.44Å; W486-V533 HydrophobicContact CD2-CG1 4.19Å; W486-V533 HydrophobicContact CG-CG1 3.5Å; W486-L559 HydrophobicContact CZ3-CD2 4.46Å; W486-L559 HydrophobicContact CZ3-CG 4.48Å; W486-H589 HydrophobicContact CZ2-CB 3.74Å; W486-L592 HydrophobicContact CH2-CD2 3.7Å; W486-L592 HydrophobicContact CZ3-CD2 4.35Å; W486-W593 AromaticContact CH2-CH2 3.38Å; W486-W593 HydrophobicContact CH2-CH2 3.38Å; W486-W593 AromaticContact CH2-CZ2 3.92Å; W486-W593 HydrophobicContact CH2-CZ2 3.92Å; W486-W593 HydrophobicContact CH2-CZ3 4.03Å; W486-W593 AromaticContact CZ2-CH2 3.79Å; W486-W593 HydrophobicContact CZ2-CH2 3.79Å; W486-W593 AromaticContact CZ2-CZ2 3.81Å; W486-W593 HydrophobicContact CZ2-CZ2 3.81Å; W486-W593 HydrophobicContact CZ3-CH2 4.39Å; W486-M617 HydrophobicContact CD2-CE 3.31Å; W486-M617 VanDerWaalsContact CE2-CE 3.46Å; W486-M617 HydrophobicContact CE3-CE 3.35Å; W486-M617 HydrophobicContact CG-CE 3.99Å; W486-M617 HydrophobicContact CH2-CE 3.61Å; W486-M617 HydrophobicContact CZ2-CE 3.6Å; W486-M617 HydrophobicContact CZ3-CE 3.51Å
487	L	98.2	Very high	97.5	Very high	3 Å²	3	9.1 Å²	9.1	2%	0.016	5%	0.045	C	C	.	.	H	α-helix	trans	-63.3	-25.9	175.1	-73.6	179.9	0	0	0	112	D484 L485 F491 L592	D484-L487 HydrophobicContact CB-CD1 3.89Å; D484-L487 HydrophobicContact CB-CG 4.22Å; D484-L487 WeakPolarHBondContact O-CB 3.41Å; D484-L487 PolarHBondContact O-N 3.02Å; L485-L487 PolarHBondContact O-N 3.07Å; L485-L487 VanDerWaalsContact O-N 3.17Å; L487-F491 HydrophobicContact CD2-CE2 4.44Å; L487-F491 VanDerWaalsContact O-CD2 3.29Å; L487-F491 WeakPolarHBondContact O-CD2 3.48Å; L487-L592 HydrophobicContact CD2-CD2 4.01Å
488	N	98	Very high	97.5	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-89.9	-69.7	172.9	-59.6	4.8	0	0	0	108.8	Y358 G474 L479 L485 W486 G490 F491 A492	Y358-N488 PolarHBondContact OH-ND2 3.25Å; G474-N488 WeakPolarHBondContact CA-ND2 3.5Å; G474-N488 VanDerWaalsContact CA-OD1 3.26Å; G474-N488 WeakPolarHBondContact CA-OD1 3.12Å; G474-N488 PolarHBondContact N-OD1 3.4Å; L479-N488 WeakPolarHBondContact CD2-ND2 3.31Å; L485-N488 PolarHBondContact O-N 3.45Å; W486-N488 PolarHBondContact O-N 3.19Å; N488-G490 PolarHBondContact O-N 2.84Å; N488-F491 PolarHBondContact O-N 3.29Å; N488-A492 PolarHBondContact O-N 2.86Å
489	E	98	Very high	97.5	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.014	5%	0.052	C	C	.	.	H	α-helix	trans	-65.3	-38.3	-168.2	-56.6	-50	137.1	0	0	113	H466 H470 L485 S493 F547 Y552	H466-E489 IonicContact NE2-OE2 3.12Å; H470-E489 IonicContact CE1-OE1 3.96Å; H470-E489 IonicContact CE1-OE2 3.65Å; H470-E489 IonicContact NE2-OE1 3.3Å; H470-E489 IonicContact NE2-OE2 2.83Å; L485-E489 HydrophobicContact CD1-CG 3.74Å; L485-E489 HydrophobicContact CD2-CG 4.45Å; L485-E489 HydrophobicContact CG-CG 3.84Å; L485-E489 PolarHBondContact O-N 2.95Å; L485-E489 VanDerWaalsContact O-N 3.14Å; E489-S493 WeakPolarHBondContact O-CB 3.34Å; E489-S493 PolarHBondContact O-N 3.46Å; E489-S493 PolarHBondContact O-OG 3.14Å; E489-F547 HydrophobicContact CG-CE1 4.33Å; E489-Y552 HydrophobicContact CB-CD1 3.91Å; E489-Y552 HydrophobicContact CB-CD2 4.05Å; E489-Y552 HydrophobicContact CB-CE1 3.79Å; E489-Y552 HydrophobicContact CB-CE2 3.99Å; E489-Y552 HydrophobicContact CB-CG 4.02Å; E489-Y552 HydrophobicContact CG-CD2 4.4Å; E489-Y552 HydrophobicContact CG-CE1 4.01Å; E489-Y552 HydrophobicContact CG-CE2 3.85Å; E489-Y552 WeakPolarHBondContact OE2-CE1 3.26Å; E489-Y552 PolarHBondContact OE2-OH 2.79Å
490	G	98.4	Very high	97.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68.4	-37.8	178.6	0	0	0	0	0	112	W486 N488 F494 A556 L559	W486-G490 VanDerWaalsContact O-CA 3.22Å; W486-G490 WeakPolarHBondContact O-CA 3.48Å; W486-G490 PolarHBondContact O-N 3.3Å; N488-G490 PolarHBondContact O-N 2.84Å; G490-F494 WeakPolarHBondContact O-CB 3.4Å; G490-F494 PolarHBondContact O-N 2.97Å; G490-A556 WeakPolarHBondContact O-CA 3.48Å; G490-L559 WeakPolarHBondContact O-CD1 3.2Å
491	F	98.7	Very high	97.7	Very high	3 Å²	3	11.2 Å²	11.2	1%	0.013	6%	0.056	C	C	.	.	H	α-helix	trans	-71.3	-41.2	174.7	-94.5	-81.1	0	0	0	112.5	F473 W486 L487 N488 F494 A495 L559 V575 L592	F473-F491 HydrophobicContact CB-CB 3.83Å; F473-F491 HydrophobicContact CD1-CB 3.7Å; F473-F491 AromaticContact CD1-CD1 3.7Å; F473-F491 HydrophobicContact CD1-CD1 3.7Å; F473-F491 AromaticContact CD1-CD2 3.92Å; F473-F491 HydrophobicContact CD1-CD2 3.92Å; F473-F491 HydrophobicContact CD1-CE1 4.25Å; F473-F491 HydrophobicContact CD1-CE2 4.43Å; F473-F491 AromaticContact CD1-CG 3.49Å; F473-F491 HydrophobicContact CD1-CG 3.49Å; F473-F491 VanDerWaalsContact CD1-CG 3.49Å; F473-F491 HydrophobicContact CD2-CB 3.85Å; F473-F491 HydrophobicContact CD2-CD1 4.28Å; F473-F491 HydrophobicContact CD2-CG 4.31Å; F473-F491 HydrophobicContact CE1-CB 4.2Å; F473-F491 AromaticContact CE1-CD1 3.29Å; F473-F491 HydrophobicContact CE1-CD1 3.29Å; F473-F491 HydrophobicContact CE1-CD2 4.16Å; F473-F491 AromaticContact CE1-CE1 3.53Å; F473-F491 HydrophobicContact CE1-CE1 3.53Å; F473-F491 HydrophobicContact CE1-CE2 4.34Å; F473-F491 AromaticContact CE1-CG 3.63Å; F473-F491 HydrophobicContact CE1-CG 3.63Å; F473-F491 HydrophobicContact CE1-CZ 4.05Å; F473-F491 HydrophobicContact CE2-CB 4.33Å; F473-F491 AromaticContact CE2-CD1 3.93Å; F473-F491 HydrophobicContact CE2-CD1 3.93Å; F473-F491 HydrophobicContact CE2-CG 4.41Å; F473-F491 HydrophobicContact CG-CB 3.51Å; F473-F491 HydrophobicContact CG-CD1 4.17Å; F473-F491 AromaticContact CG-CG 3.86Å; F473-F491 HydrophobicContact CG-CG 3.86Å; F473-F491 HydrophobicContact CZ-CB 4.49Å; F473-F491 AromaticContact CZ-CD1 3.43Å; F473-F491 HydrophobicContact CZ-CD1 3.43Å; F473-F491 VanDerWaalsContact CZ-CD1 3.43Å; F473-F491 AromaticContact CZ-CE1 3.79Å; F473-F491 HydrophobicContact CZ-CE1 3.79Å; F473-F491 HydrophobicContact CZ-CG 4.1Å; W486-F491 HydrophobicContact CZ3-CE2 4.46Å; L487-F491 HydrophobicContact CD2-CE2 4.44Å; L487-F491 VanDerWaalsContact O-CD2 3.29Å; L487-F491 WeakPolarHBondContact O-CD2 3.48Å; N488-F491 PolarHBondContact O-N 3.29Å; F491-F494 PolarHBondContact O-N 2.83Å; F491-A495 VanDerWaalsContact O-CB 3.25Å; F491-A495 WeakPolarHBondContact O-CB 3.27Å; F491-A495 PolarHBondContact O-N 3.27Å; F491-L559 HydrophobicContact CB-CD1 4.37Å; F491-L559 HydrophobicContact CD1-CD1 4.03Å; F491-L559 HydrophobicContact CD1-CD2 4.23Å; F491-L559 HydrophobicContact CD2-CD1 3.92Å; F491-L559 HydrophobicContact CD2-CD2 4.24Å; F491-L559 HydrophobicContact CE1-CD1 4.31Å; F491-L559 HydrophobicContact CE1-CD2 3.67Å; F491-L559 HydrophobicContact CE2-CD1 4.21Å; F491-L559 HydrophobicContact CE2-CD2 3.68Å; F491-L559 HydrophobicContact CG-CD1 3.84Å; F491-L559 HydrophobicContact CG-CD2 4.5Å; F491-L559 HydrophobicContact CZ-CD1 4.41Å; F491-L559 HydrophobicContact CZ-CD2 3.37Å; F491-V575 HydrophobicContact CE1-CG1 4.11Å; F491-V575 HydrophobicContact CE1-CG2 3.96Å; F491-V575 HydrophobicContact CZ-CG2 4.29Å; F491-L592 HydrophobicContact CE2-CD1 4.32Å; F491-L592 HydrophobicContact CE2-CD2 3.6Å; F491-L592 HydrophobicContact CZ-CD1 3.85Å; F491-L592 HydrophobicContact CZ-CD2 3.79Å; F491-L592 HydrophobicContact CZ-CG 4.47Å
492	A	98.8	Very high	97.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.5	-45.8	175.4	0	0	0	0	0	111.1	H466 A469 H470 N488 F494 A495 E496	H466-A492 WeakPolarHBondContact NE2-CB 3.22Å; A469-A492 HydrophobicContact CB-CB 4.35Å; H470-A492 VanDerWaalsContact NE2-CB 3.26Å; H470-A492 WeakPolarHBondContact NE2-CB 3.37Å; N488-A492 PolarHBondContact O-N 2.86Å; A492-F494 VanDerWaalsContact C-N 3.28Å; A492-F494 PolarHBondContact O-N 3.38Å; A492-A495 PolarHBondContact O-N 3.19Å; A492-E496 WeakPolarHBondContact O-CB 3.12Å; A492-E496 PolarHBondContact O-N 3.1Å
493	S	98.8	Very high	98	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-61.6	-31	173.9	-57.6	0	0	0	0	113.2	H466 E489 E496 Y497 Y552	H466-S493 PolarHBondContact CE1-N 2.79Å; H466-S493 PolarHBondContact CE1-OG 3.18Å; E489-S493 WeakPolarHBondContact O-CB 3.34Å; E489-S493 PolarHBondContact O-N 3.46Å; E489-S493 PolarHBondContact O-OG 3.14Å; S493-E496 WeakPolarHBondContact O-CG 3.48Å; S493-Y497 VanDerWaalsContact O-CD2 3.29Å; S493-Y497 WeakPolarHBondContact O-CD2 3.47Å; S493-Y497 WeakPolarHBondContact O-CE2 3.32Å; S493-Y552 WeakPolarHBondContact OG-CD1 3.37Å
494	F	98.8	Very high	98.2	Very high	16 Å²	16	14.8 Å²	14.8	7%	0.07	7%	0.073	C	C	.	.	H	α-helix	trans	-76.2	-45	173.5	174	-105.7	0	0	0	111.9	G490 F491 A492 I498 F513 A556 L559 R560 E563 F571	G490-F494 WeakPolarHBondContact O-CB 3.4Å; G490-F494 PolarHBondContact O-N 2.97Å; F491-F494 PolarHBondContact O-N 2.83Å; A492-F494 VanDerWaalsContact C-N 3.28Å; A492-F494 PolarHBondContact O-N 3.38Å; F494-I498 HydrophobicContact CD1-CD1 4.1Å; F494-I498 HydrophobicContact CE1-CD1 3.55Å; F494-I498 HydrophobicContact CZ-CD1 3.9Å; F494-F513 HydrophobicContact CD2-CE2 4.46Å; F494-A556 HydrophobicContact CB-CB 4.11Å; F494-L559 HydrophobicContact CB-CB 4.21Å; F494-L559 HydrophobicContact CB-CD1 3.94Å; F494-L559 HydrophobicContact CD1-CB 4.4Å; F494-L559 HydrophobicContact CD2-CB 4.04Å; F494-L559 HydrophobicContact CG-CB 3.95Å; F494-L559 HydrophobicContact CG-CD1 4.42Å; F494-R560 HydrophobicContact CD2-CB 4.29Å; F494-R560 HydrophobicContact CE2-CB 4.02Å; F494-E563 HydrophobicContact CZ-CB 4.39Å; F494-F571 AromaticContact CE1-CE1 3.79Å; F494-F571 HydrophobicContact CE1-CE1 3.79Å; F494-F571 HydrophobicContact CE1-CZ 4.38Å; F494-F571 HydrophobicContact CZ-CE1 4.14Å
495	A	98.7	Very high	98.3	Very high	2 Å²	2	18.9 Å²	18.9	2%	0.017	10%	0.1	C	C	.	.	H	α-helix	trans	-75.9	-23.8	-174.4	0	0	0	0	0	113.2	F406 F410 A469 F491 A492 Y497 I498 G499	F406-A495 HydrophobicContact CZ-CB 4.11Å; F406-A495 WeakPolarHBondContact CZ-O 3.41Å; F410-A495 HydrophobicContact CZ-CB 4.29Å; A469-A495 HydrophobicContact CB-CB 3.69Å; F491-A495 VanDerWaalsContact O-CB 3.25Å; F491-A495 WeakPolarHBondContact O-CB 3.27Å; F491-A495 PolarHBondContact O-N 3.27Å; A492-A495 PolarHBondContact O-N 3.19Å; A495-Y497 PolarHBondContact O-N 2.89Å; A495-I498 WeakPolarHBondContact O-CB 3.3Å; A495-I498 PolarHBondContact O-N 3.31Å; A495-G499 PolarHBondContact O-N 2.78Å
496	E	98.8	Very high	98.3	Very high	24 Å²	24	23.6 Å²	23.6	11%	0.112	12%	0.122	C	C	.	.	H	α-helix	trans	-56.9	-38.6	179.5	71.8	-174.8	-142.7	0	0	112.2	T462 S465 H466 A492 S493 G499 V500	T462-E496 HydrophobicContact CG2-CB 4.16Å; T462-E496 HydrophobicContact CG2-CG 3.83Å; T462-E496 WeakPolarHBondContact CG2-OE1 3.2Å; S465-E496 WeakPolarHBondContact CB-O 3.22Å; S465-E496 WeakPolarHBondContact OG-CA 3.41Å; S465-E496 PolarHBondContact OG-O 3.34Å; H466-E496 HydrophobicContact CB-CB 4.16Å; H466-E496 IonicContact CE1-OE2 3.33Å; H466-E496 IonicContact CG-OE2 2.82Å; H466-E496 IonicContact ND1-OE2 3.01Å; H466-E496 PolarHBondContact ND1-OE2 3.48Å; A492-E496 WeakPolarHBondContact O-CB 3.12Å; A492-E496 PolarHBondContact O-N 3.1Å; S493-E496 WeakPolarHBondContact O-CG 3.48Å; E496-G499 PolarHBondContact O-N 3.41Å; E496-V500 VanDerWaalsContact O-CG2 3.29Å; E496-V500 WeakPolarHBondContact O-CG2 3.1Å; E496-V500 PolarHBondContact O-N 3.02Å
497	Y	98.8	Very high	98.3	Very high	16 Å²	16	23.9 Å²	23.9	6%	0.063	12%	0.123	C	C	.	.	H	α-helix	trans	-66.9	-40.3	176.7	-68.7	-94.6	0	0	0	111.5	S493 A495 D501 M509 F513 D516 D517	S493-Y497 VanDerWaalsContact O-CD2 3.29Å; S493-Y497 WeakPolarHBondContact O-CD2 3.47Å; S493-Y497 WeakPolarHBondContact O-CE2 3.32Å; A495-Y497 PolarHBondContact O-N 2.89Å; Y497-D501 WeakPolarHBondContact O-CB 3.33Å; Y497-D501 PolarHBondContact O-N 3.41Å; Y497-M509 HydrophobicContact CD1-CB 4.15Å; Y497-M509 HydrophobicContact CD1-CE 3.63Å; Y497-M509 VanDerWaalsContact CD1-O 3.26Å; Y497-M509 WeakPolarHBondContact CD1-O 3.2Å; Y497-M509 HydrophobicContact CE1-CE 3.96Å; Y497-M509 HydrophobicContact CG-CE 4.44Å; Y497-F513 HydrophobicContact CD1-CB 4Å; Y497-F513 HydrophobicContact CD1-CD2 4.07Å; Y497-F513 AromaticContact CD2-CD2 3.42Å; Y497-F513 HydrophobicContact CD2-CD2 3.42Å; Y497-F513 VanDerWaalsContact CD2-CD2 3.42Å; Y497-F513 AromaticContact CD2-CE2 3.89Å; Y497-F513 HydrophobicContact CD2-CE2 3.89Å; Y497-F513 HydrophobicContact CE1-CB 3.88Å; Y497-F513 HydrophobicContact CE1-CD2 4.13Å; Y497-F513 HydrophobicContact CE1-CG 4.47Å; Y497-F513 AromaticContact CE2-CD2 3.47Å; Y497-F513 HydrophobicContact CE2-CD2 3.47Å; Y497-F513 VanDerWaalsContact CE2-CD2 3.47Å; Y497-F513 AromaticContact CE2-CE2 3.93Å; Y497-F513 HydrophobicContact CE2-CE2 3.93Å; Y497-F513 HydrophobicContact CE2-CG 4.43Å; Y497-F513 HydrophobicContact CG-CB 4.47Å; Y497-F513 AromaticContact CG-CD2 3.73Å; Y497-F513 HydrophobicContact CG-CD2 3.73Å; Y497-F513 AromaticContact CZ-CD2 3.83Å; Y497-D516 WeakPolarHBondContact OH-CB 3.39Å; Y497-D517 WeakPolarHBondContact CE2-OD2 3.47Å; Y497-D517 PolarHBondContact OH-OD2 2.89Å
498	I	98.6	Very high	98.2	Very high	33 Å²	33	24.4 Å²	24.4	17%	0.169	13%	0.129	C	C	.	.	H	α-helix	trans	-66.7	-41.9	179.8	-52.8	178.1	0	0	0	110.3	F405 Y409 F494 A495 H502	F405-I498 HydrophobicContact CE1-CG2 3.84Å; F405-I498 WeakPolarHBondContact CE1-O 3.34Å; F405-I498 HydrophobicContact CZ-CG2 3.91Å; Y409-I498 HydrophobicContact CD2-CG2 4.12Å; Y409-I498 HydrophobicContact CE1-CD1 4.37Å; Y409-I498 HydrophobicContact CE2-CG2 3.74Å; F494-I498 HydrophobicContact CD1-CD1 4.1Å; F494-I498 HydrophobicContact CE1-CD1 3.55Å; F494-I498 HydrophobicContact CZ-CD1 3.9Å; A495-I498 WeakPolarHBondContact O-CB 3.3Å; A495-I498 PolarHBondContact O-N 3.31Å; I498-H502 PolarHBondContact O-N 2.95Å; I498-H502 VanDerWaalsContact O-N 3.16Å
499	G	98.7	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-70.4	-39.8	178.7	0	0	0	0	0	112.7	S465 A495 E496 H502 V503	S465-G499 VanDerWaalsContact OG-CA 3.31Å; S465-G499 WeakPolarHBondContact OG-CA 3.23Å; A495-G499 PolarHBondContact O-N 2.78Å; E496-G499 PolarHBondContact O-N 3.41Å; G499-H502 PolarHBondContact O-N 3.21Å; G499-V503 PolarHBondContact O-N 3.36Å
500	V	98.8	Very high	98.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.6	-43.6	173.9	177.3	0	0	0	0	111.4	A461 E496 H502 V503 H504 W507 M509	A461-V500 VanDerWaalsContact C-CG2 3.47Å; A461-V500 HydrophobicContact CB-CG1 4.26Å; A461-V500 HydrophobicContact CB-CG2 3.95Å; A461-V500 WeakPolarHBondContact O-CG2 3.37Å; E496-V500 VanDerWaalsContact O-CG2 3.29Å; E496-V500 WeakPolarHBondContact O-CG2 3.1Å; E496-V500 PolarHBondContact O-N 3.02Å; V500-H502 PolarHBondContact O-N 3.44Å; V500-V503 PolarHBondContact O-N 2.9Å; V500-H504 PolarHBondContact O-N 3.35Å; V500-W507 HydrophobicContact CG1-CE3 3.65Å; V500-W507 HydrophobicContact CG1-CZ3 3.9Å; V500-M509 HydrophobicContact CB-CE 4.18Å; V500-M509 HydrophobicContact CB-CG 4.13Å; V500-M509 HydrophobicContact CB-SD 4.42Å; V500-M509 HydrophobicContact CG1-CE 4.02Å; V500-M509 HydrophobicContact CG1-CG 3.76Å; V500-M509 HydrophobicContact CG1-SD 3.74Å
501	D	98.6	Very high	98	Very high	67 Å²	67	29.2 Å²	29.2	36%	0.358	15%	0.154	S	C	.	.	H	α-helix	trans	-59.3	-33.9	177.8	-170.8	72.1	0	0	0	112.2	Y497 H504 P505 M509	Y497-D501 WeakPolarHBondContact O-CB 3.33Å; Y497-D501 PolarHBondContact O-N 3.41Å; D501-H504 CarbonylContact O-C 3.54Å; D501-P505 WeakPolarHBondContact O-CA 3.32Å; D501-P505 WeakPolarHBondContact O-CB 3.26Å; D501-P505 WeakPolarHBondContact O-CD 3.31Å; D501-M509 HydrophobicContact CB-CB 4.24Å; D501-M509 HydrophobicContact CB-CG 4.45Å
502	H	98.2	Very high	98	Very high	89 Å²	89	29.1 Å²	29.1	41%	0.412	15%	0.153	S	C	.	.	H	α-helix	trans	-63.6	-41.5	172.4	174.5	75.1	0	0	0	113	F405 I498 G499 V500	F405-H502 VanDerWaalsContact CB-CD2 3.45Å; F405-H502 WeakPolarHBondContact CB-CD2 3.32Å; F405-H502 HydrophobicContact CD1-CB 3.65Å; F405-H502 AromaticContact CD1-CG 3.82Å; F405-H502 HydrophobicContact CD2-CB 3.95Å; F405-H502 AromaticContact CD2-CD2 3.94Å; F405-H502 AromaticContact CD2-CE1 3.67Å; F405-H502 AromaticContact CD2-CG 3.42Å; F405-H502 VanDerWaalsContact CD2-CG 3.42Å; F405-H502 AromaticContact CD2-ND1 3.25Å; F405-H502 VanDerWaalsContact CD2-ND1 3.25Å; F405-H502 WeakPolarHBondContact CD2-ND1 3.33Å; F405-H502 HydrophobicContact CE1-CB 3.71Å; F405-H502 HydrophobicContact CE2-CB 4Å; F405-H502 AromaticContact CE2-CG 3.88Å; F405-H502 AromaticContact CE2-ND1 3.64Å; F405-H502 HydrophobicContact CG-CB 3.77Å; F405-H502 AromaticContact CG-CD2 3.59Å; F405-H502 AromaticContact CG-CG 3.38Å; F405-H502 AromaticContact CG-ND1 3.73Å; F405-H502 HydrophobicContact CZ-CB 3.87Å; I498-H502 PolarHBondContact O-N 2.95Å; I498-H502 VanDerWaalsContact O-N 3.16Å; G499-H502 PolarHBondContact O-N 3.21Å; V500-H502 PolarHBondContact O-N 3.44Å
503	V	98.2	Very high	98	Very high	20 Å²	20	29.3 Å²	29.3	12%	0.121	15%	0.154	C	C	.	.	H	α-helix	trans	-79.1	-33.6	-178.5	-177.6	0	0	0	0	111.5	K401 I402 G499 V500	K401-V503 HydrophobicContact CB-CG2 3.9Å; K401-V503 HydrophobicContact CD-CG1 4.05Å; K401-V503 HydrophobicContact CD-CG2 4.37Å; I402-V503 HydrophobicContact CD1-CG2 4.22Å; I402-V503 HydrophobicContact CG1-CG2 3.57Å; G499-V503 PolarHBondContact O-N 3.36Å; V500-V503 PolarHBondContact O-N 2.9Å
504	H	97.9	Very high	97.9	Very high	27 Å²	27	29.2 Å²	29.2	13%	0.125	15%	0.153	C	C	.	.			trans	-137.7	70.7	-173.9	-71.4	-67.3	0	0	0	111.1	Y394 V500 D501 E506 W507	Y394-H504 AromaticContact CE2-NE2 3.8Å; Y394-H504 AromaticContact CZ-NE2 3.74Å; Y394-H504 PolarHBondContact OH-CD2 2.74Å; Y394-H504 PolarHBondContact OH-NE2 3.44Å; V500-H504 PolarHBondContact O-N 3.35Å; D501-H504 CarbonylContact O-C 3.54Å; H504-E506 WeakPolarHBondContact CA-OE2 3.46Å; H504-E506 IonicContact CG-OE1 3.67Å; H504-E506 IonicContact ND1-OE1 3.47Å; H504-E506 PolarHBondContact ND1-OE1 3.37Å; H504-E506 VanDerWaalsContact ND1-OE1 3.1Å; H504-E506 PolarHBondContact O-N 3.36Å; H504-E506 VanDerWaalsContact O-N 3.11Å; H504-W507 HydrophobicContact CB-CB 4.25Å; H504-W507 HydrophobicContact CB-CD2 3.42Å; H504-W507 VanDerWaalsContact CB-CD2 3.42Å; H504-W507 HydrophobicContact CB-CE3 3.79Å; H504-W507 HydrophobicContact CB-CG 3.6Å; H504-W507 HydrophobicContact CB-CZ2 4.24Å; H504-W507 HydrophobicContact CB-CZ3 4.28Å; H504-W507 AromaticContact CD2-CE2 3.95Å; H504-W507 AromaticContact CD2-CH2 3.49Å; H504-W507 VanDerWaalsContact CD2-CH2 3.49Å; H504-W507 WeakPolarHBondContact CD2-CH2 3.2Å; H504-W507 AromaticContact CD2-CZ2 3.63Å; H504-W507 AromaticContact CD2-CZ3 3.72Å; H504-W507 AromaticContact CE1-CZ2 3.74Å; H504-W507 AromaticContact CG-CD2 3.76Å; H504-W507 AromaticContact CG-CE2 3.47Å; H504-W507 VanDerWaalsContact CG-CE2 3.47Å; H504-W507 AromaticContact CG-CH2 3.9Å; H504-W507 AromaticContact CG-CZ2 3.6Å; H504-W507 AromaticContact CG-NE1 3.81Å; H504-W507 AromaticContact ND1-CE2 3.63Å; H504-W507 AromaticContact ND1-CZ2 3.67Å; H504-W507 AromaticContact ND1-NE1 3.66Å; H504-W507 AromaticContact NE2-CH2 3.77Å; H504-W507 AromaticContact NE2-CZ2 3.74Å; H504-W507 WeakPolarHBondContact O-CB 3.37Å; H504-W507 PolarHBondContact O-N 3.32Å; H504-W507 VanDerWaalsContact O-N 3.1Å
505	P	97.4	Very high	97.8	Very high	88 Å²	88	28.4 Å²	28.4	57%	0.571	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-64.6	-16.5	-178.2	26.4	-35.9	0	0	0	113.2	D501 W507	D501-P505 WeakPolarHBondContact O-CA 3.32Å; D501-P505 WeakPolarHBondContact O-CB 3.26Å; D501-P505 WeakPolarHBondContact O-CD 3.31Å; P505-W507 VanDerWaalsContact C-N 3.29Å
506	E	96	Very high	97.7	Very high	100 Å²	100	30.6 Å²	30.6	47%	0.467	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-81.4	-2.8	177.1	74.1	-68	170.8	0	0	114.2	H504	H504-E506 WeakPolarHBondContact CA-OE2 3.46Å; H504-E506 IonicContact CG-OE1 3.67Å; H504-E506 IonicContact ND1-OE1 3.47Å; H504-E506 PolarHBondContact ND1-OE1 3.37Å; H504-E506 VanDerWaalsContact ND1-OE1 3.1Å; H504-E506 PolarHBondContact O-N 3.36Å; H504-E506 VanDerWaalsContact O-N 3.11Å
507	W	97.2	Very high	97.7	Very high	6 Å²	6	29.5 Å²	29.5	2%	0.023	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-89.7	-1	-175.5	-72	13	0	0	0	114.7	Y394 Q457 Q458 A461 V500 H504 P505 M509 Q512 H824 M825	Y394-W507 WeakPolarHBondContact OH-CH2 3.45Å; Q457-W507 HydrophobicContact CB-CH2 4.38Å; Q457-W507 HydrophobicContact CG-CH2 3.98Å; Q457-W507 HydrophobicContact CG-CZ2 4.35Å; Q458-W507 VanDerWaalsContact CA-CZ3 3.46Å; Q458-W507 HydrophobicContact CB-CE3 4.08Å; Q458-W507 HydrophobicContact CB-CH2 4.34Å; Q458-W507 HydrophobicContact CB-CZ3 3.76Å; Q458-W507 HydrophobicContact CG-CE3 3.91Å; Q458-W507 HydrophobicContact CG-CZ3 3.94Å; A461-W507 HydrophobicContact CB-CH2 4.43Å; A461-W507 HydrophobicContact CB-CZ3 3.97Å; V500-W507 HydrophobicContact CG1-CE3 3.65Å; V500-W507 HydrophobicContact CG1-CZ3 3.9Å; H504-W507 HydrophobicContact CB-CB 4.25Å; H504-W507 HydrophobicContact CB-CD2 3.42Å; H504-W507 VanDerWaalsContact CB-CD2 3.42Å; H504-W507 HydrophobicContact CB-CE3 3.79Å; H504-W507 HydrophobicContact CB-CG 3.6Å; H504-W507 HydrophobicContact CB-CZ2 4.24Å; H504-W507 HydrophobicContact CB-CZ3 4.28Å; H504-W507 AromaticContact CD2-CE2 3.95Å; H504-W507 AromaticContact CD2-CH2 3.49Å; H504-W507 VanDerWaalsContact CD2-CH2 3.49Å; H504-W507 WeakPolarHBondContact CD2-CH2 3.2Å; H504-W507 AromaticContact CD2-CZ2 3.63Å; H504-W507 AromaticContact CD2-CZ3 3.72Å; H504-W507 AromaticContact CE1-CZ2 3.74Å; H504-W507 AromaticContact CG-CD2 3.76Å; H504-W507 AromaticContact CG-CE2 3.47Å; H504-W507 VanDerWaalsContact CG-CE2 3.47Å; H504-W507 AromaticContact CG-CH2 3.9Å; H504-W507 AromaticContact CG-CZ2 3.6Å; H504-W507 AromaticContact CG-NE1 3.81Å; H504-W507 AromaticContact ND1-CE2 3.63Å; H504-W507 AromaticContact ND1-CZ2 3.67Å; H504-W507 AromaticContact ND1-NE1 3.66Å; H504-W507 AromaticContact NE2-CH2 3.77Å; H504-W507 AromaticContact NE2-CZ2 3.74Å; H504-W507 WeakPolarHBondContact O-CB 3.37Å; H504-W507 PolarHBondContact O-N 3.32Å; H504-W507 VanDerWaalsContact O-N 3.1Å; P505-W507 VanDerWaalsContact C-N 3.29Å; W507-M509 VanDerWaalsContact C-N 3.29Å; W507-M509 HydrophobicContact CB-CG 4.17Å; W507-M509 HydrophobicContact CB-SD 4.07Å; W507-M509 HydrophobicContact CE3-SD 4.35Å; W507-M509 PolarHBondContact O-N 2.91Å; W507-Q512 PolarHBondContact O-NE2 3.41Å; W507-H824 AromaticContact CD1-CD2 3.48Å; W507-H824 VanDerWaalsContact CD1-CD2 3.48Å; W507-H824 AromaticContact CD1-CG 3.43Å; W507-H824 VanDerWaalsContact CD1-CG 3.43Å; W507-H824 HydrophobicContact CD2-CB 4.47Å; W507-H824 AromaticContact CD2-CD2 3.5Å; W507-H824 AromaticContact CD2-CG 3.86Å; W507-H824 AromaticContact CD2-NE2 3.69Å; W507-H824 AromaticContact CE2-CD2 3.84Å; W507-H824 AromaticContact CE2-CG 3.7Å; W507-H824 AromaticContact CE2-ND1 3.85Å; W507-H824 AromaticContact CE3-NE2 3.99Å; W507-H824 HydrophobicContact CG-CB 3.96Å; W507-H824 AromaticContact CG-CD2 3.25Å; W507-H824 AromaticContact CG-CG 3.69Å; W507-H824 AromaticContact CG-NE2 3.92Å; W507-H824 AromaticContact NE1-CD2 3.84Å; W507-H824 AromaticContact NE1-CG 3.45Å; W507-H824 AromaticContact NE1-ND1 3.94Å; W507-M825 WeakPolarHBondContact O-CE 3.33Å; W507-M825 VanDerWaalsContact O-SD 3.38Å
508	G	96.3	Very high	97.6	Very high	15 Å²	15	28.9 Å²	28.9	16%	0.155	15%	0.154	C	C	.	.			trans	55.3	44.2	176.6	0	0	0	0	0	112.8	D510 E511 Q512	G508-D510 VanDerWaalsContact C-N 3.26Å; G508-D510 PolarHBondContact O-N 3.43Å; G508-E511 VanDerWaalsContact C-OE2 3.28Å; G508-E511 WeakPolarHBondContact CA-OE2 3.4Å; G508-E511 PolarHBondContact O-N 3.33Å; G508-Q512 WeakPolarHBondContact O-CG 3.36Å; G508-Q512 PolarHBondContact O-N 2.87Å; G508-Q512 VanDerWaalsContact O-N 3.13Å
509	M	98.1	Very high	97.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-32.9	-174.9	-67.4	-56.2	-61.6	0	0	111.6	Q458 Y497 V500 D501 W507 E511 Q512 F513	Q458-M509 HydrophobicContact CG-CE 4.44Å; Q458-M509 HydrophobicContact CG-SD 4.25Å; Y497-M509 HydrophobicContact CD1-CB 4.15Å; Y497-M509 HydrophobicContact CD1-CE 3.63Å; Y497-M509 VanDerWaalsContact CD1-O 3.26Å; Y497-M509 WeakPolarHBondContact CD1-O 3.2Å; Y497-M509 HydrophobicContact CE1-CE 3.96Å; Y497-M509 HydrophobicContact CG-CE 4.44Å; V500-M509 HydrophobicContact CB-CE 4.18Å; V500-M509 HydrophobicContact CB-CG 4.13Å; V500-M509 HydrophobicContact CB-SD 4.42Å; V500-M509 HydrophobicContact CG1-CE 4.02Å; V500-M509 HydrophobicContact CG1-CG 3.76Å; V500-M509 HydrophobicContact CG1-SD 3.74Å; D501-M509 HydrophobicContact CB-CB 4.24Å; D501-M509 HydrophobicContact CB-CG 4.45Å; W507-M509 VanDerWaalsContact C-N 3.29Å; W507-M509 HydrophobicContact CB-CG 4.17Å; W507-M509 HydrophobicContact CB-SD 4.07Å; W507-M509 HydrophobicContact CE3-SD 4.35Å; W507-M509 PolarHBondContact O-N 2.91Å; M509-E511 VanDerWaalsContact C-N 3.32Å; M509-E511 PolarHBondContact O-N 3.27Å; M509-Q512 PolarHBondContact O-N 3Å; M509-F513 PolarHBondContact O-N 3.12Å; M509-F513 VanDerWaalsContact O-N 3.08Å
510	D	96.2	Very high	97.4	Very high	57 Å²	57	32.2 Å²	32.2	31%	0.305	17%	0.167	S	C	.	.	H	α-helix	trans	-58.9	-43.1	175.7	-173.2	36.3	0	0	0	112	G508 F513 R560 H736	G508-D510 VanDerWaalsContact C-N 3.26Å; G508-D510 PolarHBondContact O-N 3.43Å; D510-F513 WeakPolarHBondContact O-CB 3.23Å; D510-R560 PolarHBondContact O-NH1 3.45Å; D510-R560 IonicContact OD1-CZ 3.14Å; D510-R560 IonicContact OD1-NH1 3.75Å; D510-R560 PolarHBondContact OD1-NH1 3.2Å; D510-R560 IonicContact OD1-NH2 3.38Å; D510-R560 PolarHBondContact OD1-NH2 3.28Å; D510-R560 IonicContact OD2-NH2 3.95Å; D510-H736 IonicContact OD2-CE1 3.95Å; D510-H736 IonicContact OD2-NE2 2.71Å; D510-H736 PolarHBondContact OD2-NE2 3.31Å
511	E	96.7	Very high	97.3	Very high	47 Å²	47	32.2 Å²	32.2	22%	0.22	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-40.2	176.2	-68.4	74.5	-166.5	0	0	112.4	G508 M509 F513 L514 L735 H736 V773	G508-E511 VanDerWaalsContact C-OE2 3.28Å; G508-E511 WeakPolarHBondContact CA-OE2 3.4Å; G508-E511 PolarHBondContact O-N 3.33Å; M509-E511 VanDerWaalsContact C-N 3.32Å; M509-E511 PolarHBondContact O-N 3.27Å; E511-F513 VanDerWaalsContact C-N 3.28Å; E511-F513 PolarHBondContact O-N 2.78Å; E511-L514 WeakPolarHBondContact O-CB 3.5Å; E511-L514 PolarHBondContact O-N 2.93Å; E511-L735 HydrophobicContact CG-CD2 3.66Å; E511-L735 HydrophobicContact CG-CG 4.01Å; E511-H736 IonicContact OE1-CE1 3.06Å; E511-H736 PolarHBondContact OE1-CE1 3.06Å; E511-H736 IonicContact OE1-NE2 2.67Å; E511-V773 HydrophobicContact CB-CG1 3.96Å; E511-V773 HydrophobicContact CB-CG2 4.16Å
512	Q	98	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.4	-27.7	-178.3	-71	-169.2	80.7	0	0	112.9	W507 G508 M509 L514 L515 D516 Y772 V773 M825	W507-Q512 PolarHBondContact O-NE2 3.41Å; G508-Q512 WeakPolarHBondContact O-CG 3.36Å; G508-Q512 PolarHBondContact O-N 2.87Å; G508-Q512 VanDerWaalsContact O-N 3.13Å; M509-Q512 PolarHBondContact O-N 3Å; Q512-L514 PolarHBondContact O-N 2.87Å; Q512-L514 VanDerWaalsContact O-N 3.13Å; Q512-L515 WeakPolarHBondContact O-CB 3.43Å; Q512-L515 PolarHBondContact O-N 3.41Å; Q512-D516 PolarHBondContact O-N 3.38Å; Q512-D516 VanDerWaalsContact O-N 3.1Å; Q512-Y772 HydrophobicContact CG-CD1 4.46Å; Q512-Y772 HydrophobicContact CG-CE1 4.17Å; Q512-V773 HydrophobicContact CG-CG1 4.08Å; Q512-M825 HydrophobicContact CG-CE 4.4Å; Q512-M825 HydrophobicContact CG-SD 4.35Å
513	F	98.4	Very high	96.8	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-52.9	-32.9	172.7	-172.1	-80.9	0	0	0	112.9	F494 Y497 M509 D510 E511 L515 D517 I518 A556 R560	F494-F513 HydrophobicContact CD2-CE2 4.46Å; Y497-F513 HydrophobicContact CD1-CB 4Å; Y497-F513 HydrophobicContact CD1-CD2 4.07Å; Y497-F513 AromaticContact CD2-CD2 3.42Å; Y497-F513 HydrophobicContact CD2-CD2 3.42Å; Y497-F513 VanDerWaalsContact CD2-CD2 3.42Å; Y497-F513 AromaticContact CD2-CE2 3.89Å; Y497-F513 HydrophobicContact CD2-CE2 3.89Å; Y497-F513 HydrophobicContact CE1-CB 3.88Å; Y497-F513 HydrophobicContact CE1-CD2 4.13Å; Y497-F513 HydrophobicContact CE1-CG 4.47Å; Y497-F513 AromaticContact CE2-CD2 3.47Å; Y497-F513 HydrophobicContact CE2-CD2 3.47Å; Y497-F513 VanDerWaalsContact CE2-CD2 3.47Å; Y497-F513 AromaticContact CE2-CE2 3.93Å; Y497-F513 HydrophobicContact CE2-CE2 3.93Å; Y497-F513 HydrophobicContact CE2-CG 4.43Å; Y497-F513 HydrophobicContact CG-CB 4.47Å; Y497-F513 AromaticContact CG-CD2 3.73Å; Y497-F513 HydrophobicContact CG-CD2 3.73Å; Y497-F513 AromaticContact CZ-CD2 3.83Å; M509-F513 PolarHBondContact O-N 3.12Å; M509-F513 VanDerWaalsContact O-N 3.08Å; D510-F513 WeakPolarHBondContact O-CB 3.23Å; E511-F513 VanDerWaalsContact C-N 3.28Å; E511-F513 PolarHBondContact O-N 2.78Å; F513-L515 VanDerWaalsContact C-N 3.32Å; F513-L515 PolarHBondContact O-N 2.85Å; F513-D517 HydrophobicContact CD1-CB 4.12Å; F513-D517 HydrophobicContact CD2-CB 4.35Å; F513-D517 HydrophobicContact CE1-CB 3.88Å; F513-D517 HydrophobicContact CE2-CB 4.12Å; F513-D517 HydrophobicContact CG-CB 4.33Å; F513-D517 HydrophobicContact CZ-CB 3.88Å; F513-D517 WeakPolarHBondContact O-CB 3.24Å; F513-D517 PolarHBondContact O-N 3.18Å; F513-I518 HydrophobicContact CD1-CD1 3.8Å; F513-I518 HydrophobicContact CD1-CG1 3.73Å; F513-I518 HydrophobicContact CE1-CD1 3.84Å; F513-I518 HydrophobicContact CE1-CG1 3.55Å; F513-I518 PolarHBondContact O-N 3.32Å; F513-A556 HydrophobicContact CE2-CB 4.14Å; F513-A556 HydrophobicContact CZ-CB 3.88Å; F513-R560 VanDerWaalsContact CD1-CD 3.44Å; F513-R560 VanDerWaalsContact CD1-NH1 3.26Å; F513-R560 HydrophobicContact CE1-CB 4.08Å; F513-R560 HydrophobicContact CE1-CG 4.35Å; F513-R560 VanDerWaalsContact CG-NH1 3.27Å; F513-R560 HydrophobicContact CZ-CB 4.14Å
514	L	98.2	Very high	96.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.149	C	C	.	.	I	π-helix	trans	-61.5	-43.6	175.9	-85.8	57.9	0	0	0	110.6	E511 Q512 I518 Q519 Q706 H736 T739	E511-L514 WeakPolarHBondContact O-CB 3.5Å; E511-L514 PolarHBondContact O-N 2.93Å; Q512-L514 PolarHBondContact O-N 2.87Å; Q512-L514 VanDerWaalsContact O-N 3.13Å; L514-I518 HydrophobicContact CD1-CD1 4.2Å; L514-I518 HydrophobicContact CG-CD1 4.39Å; L514-Q519 WeakPolarHBondContact O-CB 3.3Å; L514-Q519 WeakPolarHBondContact O-CG 3.49Å; L514-Q519 PolarHBondContact O-N 3.37Å; L514-Q706 HydrophobicContact CD2-CB 3.95Å; L514-Q706 HydrophobicContact CG-CB 4.08Å; L514-H736 HydrophobicContact CD2-CB 3.93Å; L514-T739 HydrophobicContact CD2-CG2 4.46Å
515	L	96.7	Very high	96	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	I	π-helix	trans	-70.4	-47.6	-177.9	-58.6	-178.3	0	0	0	112.2	Q512 F513 T739 Y772 V773 E776 T777 R780	Q512-L515 WeakPolarHBondContact O-CB 3.43Å; Q512-L515 PolarHBondContact O-N 3.41Å; F513-L515 VanDerWaalsContact C-N 3.32Å; F513-L515 PolarHBondContact O-N 2.85Å; L515-T739 HydrophobicContact CD2-CG2 4.26Å; L515-Y772 HydrophobicContact CD1-CE1 4.04Å; L515-V773 HydrophobicContact CD1-CB 4.06Å; L515-V773 HydrophobicContact CD1-CG1 3.84Å; L515-V773 HydrophobicContact CD2-CB 4.38Å; L515-V773 HydrophobicContact CG-CB 4.21Å; L515-V773 HydrophobicContact CG-CG1 4.22Å; L515-E776 HydrophobicContact CD1-CB 3.93Å; L515-E776 HydrophobicContact CD1-CG 3.89Å; L515-T777 WeakPolarHBondContact CD2-OG1 3.39Å; L515-R780 PolarHBondContact O-NH1 3.2Å
516	D	96.3	Very high	95.7	Very high	47 Å²	47	22.5 Å²	22.5	25%	0.251	12%	0.116	S	C	.	.	I	π-helix	trans	-97.4	-18.2	-160.4	-65.2	-26.1	0	0	0	112.5	Y497 Q512 K520 N553 R780	Y497-D516 WeakPolarHBondContact OH-CB 3.39Å; Q512-D516 PolarHBondContact O-N 3.38Å; Q512-D516 VanDerWaalsContact O-N 3.1Å; D516-K520 WeakPolarHBondContact O-CD 3.29Å; D516-N553 PolarHBondContact O-ND2 3.2Å; D516-R780 IonicContact OD1-NH2 3.93Å; D516-R780 PolarHBondContact OD1-NH2 3.36Å
517	D	97.7	Very high	95.1	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.011	11%	0.109	C	C	.	.	I	π-helix	trans	-113.6	-69.3	171.8	-81.5	-90.8	0	0	0	112.6	Y497 F513 K520 V521 N553	Y497-D517 WeakPolarHBondContact CE2-OD2 3.47Å; Y497-D517 PolarHBondContact OH-OD2 2.89Å; F513-D517 HydrophobicContact CD1-CB 4.12Å; F513-D517 HydrophobicContact CD2-CB 4.35Å; F513-D517 HydrophobicContact CE1-CB 3.88Å; F513-D517 HydrophobicContact CE2-CB 4.12Å; F513-D517 HydrophobicContact CG-CB 4.33Å; F513-D517 HydrophobicContact CZ-CB 3.88Å; F513-D517 WeakPolarHBondContact O-CB 3.24Å; F513-D517 PolarHBondContact O-N 3.18Å; D517-K520 PolarHBondContact O-N 2.91Å; D517-V521 WeakPolarHBondContact O-CB 3.43Å; D517-V521 WeakPolarHBondContact O-CG1 3.4Å; D517-V521 PolarHBondContact O-N 3.44Å; D517-N553 HydrophobicContact CB-CB 4.45Å; D517-N553 VanDerWaalsContact CG-ND2 3.33Å; D517-N553 VanDerWaalsContact OD1-CA 3.25Å; D517-N553 WeakPolarHBondContact OD1-CA 3.35Å; D517-N553 PolarHBondContact OD1-ND2 3.38Å
518	I	98.4	Very high	94.3	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	12%	0.119	C	C	.	.	I	π-helix	trans	-62.6	-58.2	-167.4	-61.5	177.4	0	0	0	111.3	F513 L514 K520 V521 L522 Q706	F513-I518 HydrophobicContact CD1-CD1 3.8Å; F513-I518 HydrophobicContact CD1-CG1 3.73Å; F513-I518 HydrophobicContact CE1-CD1 3.84Å; F513-I518 HydrophobicContact CE1-CG1 3.55Å; F513-I518 PolarHBondContact O-N 3.32Å; L514-I518 HydrophobicContact CD1-CD1 4.2Å; L514-I518 HydrophobicContact CG-CD1 4.39Å; I518-K520 VanDerWaalsContact C-N 3.33Å; I518-K520 PolarHBondContact O-N 3.15Å; I518-V521 PolarHBondContact O-N 3.39Å; I518-L522 HydrophobicContact CG2-CD1 3.7Å; I518-L522 HydrophobicContact CG2-CG 4.18Å; I518-L522 WeakPolarHBondContact O-CB 3.41Å; I518-L522 WeakPolarHBondContact O-CG 3.35Å; I518-L522 PolarHBondContact O-N 2.83Å; I518-Q706 WeakPolarHBondContact CD1-O 3.39Å; I518-Q706 HydrophobicContact CG2-CG 4.13Å
519	Q	97.7	Very high	93.4	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.019	14%	0.144	C	C	.	.	I	π-helix	trans	-66.4	-39.5	-175.5	-67	173.8	11.3	0	0	111.1	L514 V521 I523 D743 T777	L514-Q519 WeakPolarHBondContact O-CB 3.3Å; L514-Q519 WeakPolarHBondContact O-CG 3.49Å; L514-Q519 PolarHBondContact O-N 3.37Å; Q519-V521 VanDerWaalsContact C-N 3.35Å; Q519-V521 PolarHBondContact O-N 3.44Å; Q519-I523 WeakPolarHBondContact O-CG1 3.32Å; Q519-I523 PolarHBondContact O-N 2.95Å; Q519-D743 HydrophobicContact CG-CB 4.22Å; Q519-D743 WeakPolarHBondContact CG-OD2 3.39Å; Q519-T777 PolarHBondContact NE2-OG1 2.73Å; Q519-T777 PolarHBondContact OE1-OG1 2.87Å
520	K	94.5	Very high	92.9	Very high	100 Å²	100	27 Å²	27	44%	0.435	15%	0.149	S	C	.	.	H	α-helix	trans	-55.8	-49.4	175.4	-178.3	-171.7	175.9	-162	0	111	D516 D517 I518 I523 S524 N553	D516-K520 WeakPolarHBondContact O-CD 3.29Å; D517-K520 PolarHBondContact O-N 2.91Å; I518-K520 VanDerWaalsContact C-N 3.33Å; I518-K520 PolarHBondContact O-N 3.15Å; K520-I523 PolarHBondContact O-N 2.92Å; K520-S524 PolarHBondContact O-N 2.76Å; K520-N553 PolarHBondContact NZ-OD1 3.11Å
521	V	96.6	Very high	92.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-83.3	-26.8	-175.6	76.8	0	0	0	0	113.8	D517 I518 Q519 I523 S524 D525 P549 I550 N553 K554 F709	D517-V521 WeakPolarHBondContact O-CB 3.43Å; D517-V521 WeakPolarHBondContact O-CG1 3.4Å; D517-V521 PolarHBondContact O-N 3.44Å; I518-V521 PolarHBondContact O-N 3.39Å; Q519-V521 VanDerWaalsContact C-N 3.35Å; Q519-V521 PolarHBondContact O-N 3.44Å; V521-I523 PolarHBondContact O-N 3.25Å; V521-S524 PolarHBondContact O-N 3.4Å; V521-S524 PolarHBondContact O-OG 3.43Å; V521-D525 HydrophobicContact CG2-CB 4.43Å; V521-D525 WeakPolarHBondContact O-CA 3.48Å; V521-D525 WeakPolarHBondContact O-CB 3.26Å; V521-D525 PolarHBondContact O-N 3.34Å; V521-P549 HydrophobicContact CG2-CB 4.13Å; V521-P549 WeakPolarHBondContact CG2-O 3.42Å; V521-I550 HydrophobicContact CG2-CD1 4.03Å; V521-N553 HydrophobicContact CB-CB 3.57Å; V521-N553 HydrophobicContact CG1-CB 3.92Å; V521-N553 HydrophobicContact CG2-CB 4Å; V521-K554 HydrophobicContact CG1-CB 4.24Å; V521-K554 HydrophobicContact CG2-CB 3.84Å; V521-F709 HydrophobicContact CG1-CD2 4.45Å; V521-F709 HydrophobicContact CG1-CE2 3.34Å; V521-F709 HydrophobicContact CG1-CZ 3.69Å
522	L	97.1	Very high	92.5	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-56.5	-36.6	167.5	-74.5	172	0	0	0	110.8	I518 S526 Y622 F709 R711	I518-L522 HydrophobicContact CG2-CD1 3.7Å; I518-L522 HydrophobicContact CG2-CG 4.18Å; I518-L522 WeakPolarHBondContact O-CB 3.41Å; I518-L522 WeakPolarHBondContact O-CG 3.35Å; I518-L522 PolarHBondContact O-N 2.83Å; L522-S526 WeakPolarHBondContact O-CB 3.32Å; L522-S526 PolarHBondContact O-N 3.36Å; L522-Y622 HydrophobicContact CB-CE1 4.19Å; L522-Y622 HydrophobicContact CD2-CD1 3.75Å; L522-Y622 HydrophobicContact CD2-CD2 3.78Å; L522-Y622 HydrophobicContact CD2-CE1 3.56Å; L522-Y622 HydrophobicContact CD2-CE2 3.62Å; L522-Y622 HydrophobicContact CD2-CG 3.86Å; L522-Y622 VanDerWaalsContact CD2-CZ 3.48Å; L522-Y622 HydrophobicContact CG-CE1 4.48Å; L522-Y622 VanDerWaalsContact O-CE1 3.26Å; L522-Y622 WeakPolarHBondContact O-CE1 3.36Å; L522-Y622 PolarHBondContact O-OH 3.32Å; L522-F709 HydrophobicContact CD2-CD2 4.07Å; L522-F709 HydrophobicContact CD2-CE1 4.34Å; L522-F709 HydrophobicContact CD2-CE2 3.64Å; L522-F709 HydrophobicContact CD2-CZ 3.81Å; L522-F709 HydrophobicContact CG-CD2 4.42Å; L522-F709 HydrophobicContact CG-CE2 3.82Å; L522-F709 HydrophobicContact CG-CZ 4.29Å; L522-R711 HydrophobicContact CD1-CG 4.34Å
523	I	90.1	Very high	92.4	Very high	48 Å²	48	24.5 Å²	24.5	25%	0.246	14%	0.136	C	C	.	.	H	α-helix	trans	-67.5	-50	177.2	-66.3	166.5	0	0	0	111.3	Q519 K520 V521 S526 R1014	Q519-I523 WeakPolarHBondContact O-CG1 3.32Å; Q519-I523 PolarHBondContact O-N 2.95Å; K520-I523 PolarHBondContact O-N 2.92Å; V521-I523 PolarHBondContact O-N 3.25Å; I523-S526 PolarHBondContact O-N 3.1Å; I523-S526 PolarHBondContact O-OG 3.02Å; I523-R1014 PolarHBondContact O-NH1 2.99Å
524	S	85.3	Confident	92.3	Very high	36 Å²	36	25.1 Å²	25.1	25%	0.252	14%	0.14	S	C	.	.	H	α-helix	trans	-71.9	-39.4	-178.3	54	0	0	0	0	112.6	K520 V521 S526 L527	K520-S524 PolarHBondContact O-N 2.76Å; V521-S524 PolarHBondContact O-N 3.4Å; V521-S524 PolarHBondContact O-OG 3.43Å; S524-S526 PolarHBondContact O-N 3.39Å; S524-L527 WeakPolarHBondContact O-CB 3.4Å; S524-L527 WeakPolarHBondContact O-CG 3.47Å; S524-L527 PolarHBondContact O-N 2.97Å
525	D	93.5	Very high	91.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1	178.8	-162.7	33.2	0	0	0	112.6	V521 L527 S530 I550 K554 N621 Y622 F709	V521-D525 HydrophobicContact CG2-CB 4.43Å; V521-D525 WeakPolarHBondContact O-CA 3.48Å; V521-D525 WeakPolarHBondContact O-CB 3.26Å; V521-D525 PolarHBondContact O-N 3.34Å; D525-L527 VanDerWaalsContact C-N 3.32Å; D525-S530 WeakPolarHBondContact OD1-CB 3.12Å; D525-S530 PolarHBondContact OD1-OG 3.5Å; D525-I550 HydrophobicContact CB-CD1 3.59Å; D525-K554 IonicContact OD1-NZ 2.75Å; D525-K554 VanDerWaalsContact OD2-CD 3.32Å; D525-K554 WeakPolarHBondContact OD2-CD 3.49Å; D525-K554 WeakPolarHBondContact OD2-CE 3.45Å; D525-K554 IonicContact OD2-NZ 2.72Å; D525-K554 PolarHBondContact OD2-NZ 3.34Å; D525-N621 VanDerWaalsContact O-CA 3.25Å; D525-N621 WeakPolarHBondContact O-CA 3.18Å; D525-N621 WeakPolarHBondContact O-CB 3.41Å; D525-N621 PolarHBondContact O-ND2 2.96Å; D525-N621 WeakPolarHBondContact OD1-CA 3.48Å; D525-N621 PolarHBondContact OD1-N 3.32Å; D525-N621 VanDerWaalsContact OD2-CA 3.26Å; D525-N621 WeakPolarHBondContact OD2-CA 3.43Å; D525-N621 PolarHBondContact OD2-N 3.49Å; D525-Y622 HydrophobicContact CB-CD1 4.29Å; D525-Y622 HydrophobicContact CB-CE1 4.37Å; D525-F709 HydrophobicContact CB-CZ 4.45Å
526	S	90.5	Very high	91.2	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.014	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-11.4	168.3	68.6	0	0	0	0	113.2	L522 I523 S524 L643 E644	L522-S526 WeakPolarHBondContact O-CB 3.32Å; L522-S526 PolarHBondContact O-N 3.36Å; I523-S526 PolarHBondContact O-N 3.1Å; I523-S526 PolarHBondContact O-OG 3.02Å; S524-S526 PolarHBondContact O-N 3.39Å; S526-L643 CarbonylContact O-C 3.45Å; S526-L643 VanDerWaalsContact O-CA 3.3Å; S526-L643 WeakPolarHBondContact O-CA 3.3Å; S526-E644 PolarHBondContact O-N 3.19Å; S526-E644 WeakPolarHBondContact OG-CB 3.48Å; S526-E644 WeakPolarHBondContact OG-CG 3.5Å
527	L	83.1	Confident	90.7	Very high	62 Å²	62	29 Å²	29	33%	0.325	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-76.9	141.8	-174.7	-58.9	176.6	0	0	0	111.3	S524 D525 T529 S530 N621	S524-L527 WeakPolarHBondContact O-CB 3.4Å; S524-L527 WeakPolarHBondContact O-CG 3.47Å; S524-L527 PolarHBondContact O-N 2.97Å; D525-L527 VanDerWaalsContact C-N 3.32Å; L527-T529 PolarHBondContact O-N 2.91Å; L527-T529 VanDerWaalsContact O-N 3.1Å; L527-S530 VanDerWaalsContact O-CB 3.22Å; L527-S530 WeakPolarHBondContact O-CB 3.32Å; L527-S530 PolarHBondContact O-N 3.34Å; L527-N621 PolarHBondContact O-ND2 3.36Å
528	A	80.5	Confident	89.8	Confident	28 Å²	28	33.1 Å²	33.1	23%	0.231	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.8	175.2	0	0	0	0	0	114	L643 A648	A528-L643 HydrophobicContact CB-CD2 4.41Å; A528-A648 HydrophobicContact CB-CB 4.26Å
529	T	77.1	Confident	88.8	Confident	111 Å²	111	37.5 Å²	37.5	68%	0.681	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	8.3	173.6	56.2	0	0	0	0	112.8	L527	L527-T529 PolarHBondContact O-N 2.91Å; L527-T529 VanDerWaalsContact O-N 3.1Å
530	S	87.4	Confident	87.6	Confident	16 Å²	16	38.7 Å²	38.7	11%	0.112	20%	0.203	C	C	.	.			trans	-67.4	176.8	174.6	-163.4	0	0	0	0	111.6	D525 L527 M620	D525-S530 WeakPolarHBondContact OD1-CB 3.12Å; D525-S530 PolarHBondContact OD1-OG 3.5Å; L527-S530 VanDerWaalsContact O-CB 3.22Å; L527-S530 WeakPolarHBondContact O-CB 3.32Å; L527-S530 PolarHBondContact O-N 3.34Å; S530-M620 WeakPolarHBondContact O-CE 3.43Å
531	R	90	Very high	86.4	Confident	29 Å²	29	37.4 Å²	37.4	11%	0.109	20%	0.201	C	C	.	.			trans	-136.4	161	180	62.7	167.9	-172.2	93.6	-4.7	111.9	V533 I546 D548 I550 S551 M620	R531-V533 PolarHBondContact NH1-O 3.1Å; R531-I546 PolarHBondContact NH2-O 2.89Å; R531-D548 IonicContact CZ-OD1 3.86Å; R531-D548 IonicContact CZ-OD2 3.56Å; R531-D548 IonicContact NE-OD1 3.8Å; R531-D548 IonicContact NE-OD2 3.67Å; R531-D548 PolarHBondContact NE-OD2 3.26Å; R531-D548 VanDerWaalsContact NH2-CG 3.31Å; R531-D548 IonicContact NH2-OD1 2.66Å; R531-D548 PolarHBondContact NH2-OD1 3.43Å; R531-D548 IonicContact NH2-OD2 3.62Å; R531-D548 PolarHBondContact NH2-OD2 3.3Å; R531-I550 HydrophobicContact CG-CG1 4.35Å; R531-I550 HydrophobicContact CG-CG2 4.38Å; R531-S551 PolarHBondContact NH2-OG 2.98Å; R531-M620 VanDerWaalsContact C-CB 3.41Å
532	P	94.8	Very high	85.3	Confident	19 Å²	19	40 Å²	40	12%	0.123	21%	0.213	C	C	.	.			trans	-58.7	156.5	164	-20.2	32.8	0	0	0	112	M617	P532-M617 WeakPolarHBondContact CB-O 3.48Å
533	V	96.6	Very high	84.6	Confident	3 Å²	3	40 Å²	40	2%	0.018	21%	0.213	C	C	.	.	S	Bend	trans	-67.5	-47.6	173.2	179.5	0	0	0	0	110.2	W486 R531 I550 K554 M617	W486-V533 HydrophobicContact CB-CG1 3.44Å; W486-V533 VanDerWaalsContact CB-CG1 3.44Å; W486-V533 HydrophobicContact CD2-CG1 4.19Å; W486-V533 HydrophobicContact CG-CG1 3.5Å; R531-V533 PolarHBondContact NH1-O 3.1Å; V533-I550 HydrophobicContact CB-CG2 4.47Å; V533-I550 HydrophobicContact CG2-CG2 3.86Å; V533-K554 HydrophobicContact CG2-CB 4.3Å; V533-K554 HydrophobicContact CG2-CD 3.54Å; V533-K554 HydrophobicContact CG2-CG 3.74Å; V533-M617 HydrophobicContact CB-CB 4.43Å; V533-M617 HydrophobicContact CB-CE 4.06Å; V533-M617 HydrophobicContact CB-SD 3.73Å; V533-M617 HydrophobicContact CG1-CE 3.56Å; V533-M617 HydrophobicContact CG1-SD 3.92Å; V533-M617 HydrophobicContact CG2-CE 4.46Å; V533-M617 HydrophobicContact CG2-SD 3.73Å; V533-M617 PolarHBondContact N-O 3.37Å
534	I	95.3	Very high	84	Confident	17 Å²	17	42 Å²	42	9%	0.087	22%	0.224	C	C	.	.	S	Bend	trans	-90.6	105.1	174.5	-60.3	164.3	0	0	0	107.4	H589 M617 K618	I534-H589 HydrophobicContact CD1-CB 4.05Å; I534-M617 HydrophobicContact CD1-CB 3.55Å; I534-M617 HydrophobicContact CD1-CG 4.41Å; I534-M617 HydrophobicContact CG1-CB 4.01Å; I534-M617 PolarHBondContact N-O 3.2Å; I534-K618 HydrophobicContact CB-CG 4.49Å; I534-K618 HydrophobicContact CD1-CG 4.32Å
535	Q	86.3	Confident	83.6	Confident	64 Å²	64	45 Å²	45	30%	0.299	23%	0.234	S	C	.	.			trans	-126.6	124.2	-174.3	175.5	63.1	45	0	0	108.8	D483 V537	D483-Q535 VanDerWaalsContact CA-O 3.23Å; D483-Q535 WeakPolarHBondContact CA-O 3.39Å; D483-Q535 WeakPolarHBondContact CB-O 3.48Å; Q535-V537 PolarHBondContact O-N 2.98Å
536	P	87.4	Confident	83.2	Confident	57 Å²	57	45.5 Å²	45.5	37%	0.37	24%	0.237	S	C	.	.			trans	-55.7	133.7	173.8	-26.3	34.8	0	0	0	111.6	Y538	P536-Y538 HydrophobicContact CB-CE1 4.29Å; P536-Y538 HydrophobicContact CB-CE2 3.79Å; P536-Y538 WeakPolarHBondContact CB-OH 3.36Å
537	V	85.1	Confident	82.9	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.042	25%	0.247	C	C	.	.			trans	-117.1	120.8	177.7	-179.8	0	0	0	0	108.9	W481 W482 Q535 E542 I543 I546	W481-V537 PolarHBondContact NE1-O 2.9Å; W482-V537 HydrophobicContact CB-CB 4.49Å; W482-V537 HydrophobicContact CB-CG2 4.36Å; Q535-V537 PolarHBondContact O-N 2.98Å; V537-E542 HydrophobicContact CG1-CB 4.07Å; V537-I543 HydrophobicContact CG1-CG1 3.59Å; V537-I546 HydrophobicContact CG2-CD1 3.73Å
538	Y	79.4	Confident	83	Confident	90 Å²	90	46.8 Å²	46.8	35%	0.353	24%	0.241	S	C	.	.			trans	-112.6	-19.1	-174.8	-58.1	-68.4	0	0	0	113.6	M132 V135 P536 E542	M132-Y538 HydrophobicContact CE-CD1 3.9Å; M132-Y538 HydrophobicContact CE-CE1 3.27Å; M132-Y538 HydrophobicContact CG-CD1 4.39Å; M132-Y538 HydrophobicContact CG-CE1 4.4Å; M132-Y538 HydrophobicContact SD-CD1 4.3Å; M132-Y538 HydrophobicContact SD-CE1 3.73Å; V135-Y538 WeakPolarHBondContact CB-O 3.46Å; V135-Y538 WeakPolarHBondContact CG1-O 3.25Å; V135-Y538 WeakPolarHBondContact CG2-O 3.21Å; P536-Y538 HydrophobicContact CB-CE1 4.29Å; P536-Y538 HydrophobicContact CB-CE2 3.79Å; P536-Y538 WeakPolarHBondContact CB-OH 3.36Å; Y538-E542 WeakPolarHBondContact CA-OE2 3.35Å; Y538-E542 PolarHBondContact N-OE2 3.14Å
539	Y	75.5	Confident	83.5	Confident	93 Å²	93	47.8 Å²	47.8	37%	0.365	25%	0.245	S	C	.	.	S	Bend	trans	-134.6	149.7	178	-63.3	-81.4	0	0	0	111.8	V135 N541 E542	V135-Y539 HydrophobicContact CG1-CD1 3.92Å; V135-Y539 HydrophobicContact CG1-CE1 4.13Å; Y539-N541 VanDerWaalsContact C-N 3.27Å; Y539-N541 WeakPolarHBondContact CB-OD1 3.43Å; Y539-N541 PolarHBondContact O-N 2.94Å; Y539-E542 PolarHBondContact N-OE2 2.98Å; Y539-E542 VanDerWaalsContact N-OE2 3.08Å; Y539-E542 WeakPolarHBondContact O-CB 3.32Å; Y539-E542 PolarHBondContact O-N 3.25Å
540	P	73.2	Confident	84.3	Confident	30 Å²	30	42.7 Å²	42.7	20%	0.195	21%	0.214	C	C	.	.	H	α-helix	trans	-56.2	-35.8	-178.3	-28.5	35.7	0	0	0	114.9	T298 E542 I543	T298-P540 HydrophobicContact CG2-CB 4.48Å; P540-E542 VanDerWaalsContact C-N 3.33Å; P540-E542 PolarHBondContact O-N 2.96Å; P540-I543 HydrophobicContact CB-CD1 4.39Å; P540-I543 VanDerWaalsContact O-CB 3.3Å; P540-I543 WeakPolarHBondContact O-CB 3.25Å; P540-I543 WeakPolarHBondContact O-CD1 3.37Å; P540-I543 WeakPolarHBondContact O-CG1 3.4Å; P540-I543 PolarHBondContact O-N 3.43Å
541	N	69.8	Low	84.7	Confident	73 Å²	73	42 Å²	42	39%	0.39	21%	0.209	S	C	.	.	H	α-helix	trans	-67.9	-31.1	178.4	64.9	-48.3	0	0	0	112.9	Y539 I543 N544	Y539-N541 VanDerWaalsContact C-N 3.27Å; Y539-N541 WeakPolarHBondContact CB-OD1 3.43Å; Y539-N541 PolarHBondContact O-N 2.94Å; N541-I543 PolarHBondContact O-N 3.04Å; N541-N544 PolarHBondContact O-N 2.89Å
542	E	74	Confident	85.1	Confident	54 Å²	54	43.4 Å²	43.4	25%	0.252	22%	0.215	S	C	.	.	H	α-helix	trans	-65.9	-23.7	175.4	-63.1	175.1	165.5	0	0	111.9	V537 Y538 Y539 P540 N544 E545	V537-E542 HydrophobicContact CG1-CB 4.07Å; Y538-E542 WeakPolarHBondContact CA-OE2 3.35Å; Y538-E542 PolarHBondContact N-OE2 3.14Å; Y539-E542 PolarHBondContact N-OE2 2.98Å; Y539-E542 VanDerWaalsContact N-OE2 3.08Å; Y539-E542 WeakPolarHBondContact O-CB 3.32Å; Y539-E542 PolarHBondContact O-N 3.25Å; P540-E542 VanDerWaalsContact C-N 3.33Å; P540-E542 PolarHBondContact O-N 2.96Å; E542-N544 VanDerWaalsContact C-N 3.32Å; E542-N544 PolarHBondContact O-N 3.22Å; E542-E545 PolarHBondContact O-N 3.28Å
543	I	82	Confident	85.2	Confident	2 Å²	2	43 Å²	43	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-61.7	-43.9	176.1	-53.8	163.1	0	0	0	110.1	P297 T298 W482 V537 P540 N541 E545 I546 F547	P297-I543 HydrophobicContact CB-CB 4.35Å; P297-I543 HydrophobicContact CB-CD1 4.26Å; P297-I543 HydrophobicContact CB-CG2 3.58Å; P297-I543 HydrophobicContact CG-CB 4.07Å; P297-I543 HydrophobicContact CG-CD1 4.31Å; P297-I543 HydrophobicContact CG-CG2 3.72Å; T298-I543 HydrophobicContact CG2-CD1 3.56Å; W482-I543 HydrophobicContact CB-CG1 4.05Å; W482-I543 HydrophobicContact CB-CG2 3.95Å; W482-I543 HydrophobicContact CD2-CG2 3.74Å; W482-I543 HydrophobicContact CE3-CG2 4.09Å; W482-I543 HydrophobicContact CG-CB 4.46Å; W482-I543 HydrophobicContact CG-CD1 3.94Å; W482-I543 HydrophobicContact CG-CG1 3.9Å; W482-I543 HydrophobicContact CG-CG2 3.68Å; V537-I543 HydrophobicContact CG1-CG1 3.59Å; P540-I543 HydrophobicContact CB-CD1 4.39Å; P540-I543 VanDerWaalsContact O-CB 3.3Å; P540-I543 WeakPolarHBondContact O-CB 3.25Å; P540-I543 WeakPolarHBondContact O-CD1 3.37Å; P540-I543 WeakPolarHBondContact O-CG1 3.4Å; P540-I543 PolarHBondContact O-N 3.43Å; N541-I543 PolarHBondContact O-N 3.04Å; I543-E545 PolarHBondContact O-N 2.86Å; I543-I546 WeakPolarHBondContact O-CG1 3.35Å; I543-I546 PolarHBondContact O-N 2.67Å; I543-F547 HydrophobicContact CG2-CE2 3.89Å; I543-F547 VanDerWaalsContact O-CD2 3.3Å; I543-F547 WeakPolarHBondContact O-CD2 3.43Å
544	N	78.1	Confident	85.3	Confident	88 Å²	88	42.9 Å²	42.9	47%	0.471	21%	0.211	S	C	.	.	H	α-helix	trans	-65.2	-29.9	-179.9	-68.7	-42.3	0	0	0	112.1	N541 E542 I546 F547	N541-N544 PolarHBondContact O-N 2.89Å; E542-N544 VanDerWaalsContact C-N 3.32Å; E542-N544 PolarHBondContact O-N 3.22Å; N544-I546 PolarHBondContact O-N 2.95Å; N544-F547 PolarHBondContact O-N 2.66Å
545	E	75.4	Confident	85.5	Confident	99 Å²	99	42.1 Å²	42.1	46%	0.463	21%	0.207	S	C	.	.	H	α-helix	trans	-68.8	-21.8	178.8	-61.5	-175.9	-167.8	0	0	112.9	E542 I543	E542-E545 PolarHBondContact O-N 3.28Å; I543-E545 PolarHBondContact O-N 2.86Å
546	I	85.4	Confident	86.1	Confident	11 Å²	11	39 Å²	39	6%	0.056	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-0.7	179.9	63.7	160.7	0	0	0	113.7	W482 L485 R531 V537 I543 N544 D548 S551	W482-I546 WeakPolarHBondContact O-CD1 2.8Å; L485-I546 HydrophobicContact CB-CD1 3.89Å; L485-I546 HydrophobicContact CD2-CD1 3.9Å; L485-I546 HydrophobicContact CD2-CG1 3.82Å; R531-I546 PolarHBondContact NH2-O 2.89Å; V537-I546 HydrophobicContact CG2-CD1 3.73Å; I543-I546 WeakPolarHBondContact O-CG1 3.35Å; I543-I546 PolarHBondContact O-N 2.67Å; N544-I546 PolarHBondContact O-N 2.95Å; I546-D548 PolarHBondContact O-N 3.28Å; I546-S551 VanDerWaalsContact O-CB 3.3Å; I546-S551 WeakPolarHBondContact O-CB 3.49Å; I546-S551 PolarHBondContact O-OG 3.48Å
547	F	84.6	Confident	86.6	Confident	53 Å²	53	36.4 Å²	36.4	23%	0.232	18%	0.176	C	C	.	.	S	Bend	trans	-77.6	64.6	165.2	-77.6	-85.3	0	0	0	110.3	Q296 P297 W482 L485 E489 I543 N544 Y552	Q296-F547 HydrophobicContact CG-CZ 4.23Å; P297-F547 HydrophobicContact CB-CE2 4.34Å; P297-F547 HydrophobicContact CG-CE2 4.44Å; W482-F547 HydrophobicContact CZ3-CZ 4.32Å; L485-F547 HydrophobicContact CD1-CD1 4.41Å; L485-F547 HydrophobicContact CD1-CE1 3.65Å; L485-F547 HydrophobicContact CD1-CE2 4.36Å; L485-F547 HydrophobicContact CD1-CZ 3.62Å; L485-F547 HydrophobicContact CD2-CD1 3.8Å; L485-F547 HydrophobicContact CD2-CD2 3.91Å; L485-F547 HydrophobicContact CD2-CE1 3.83Å; L485-F547 HydrophobicContact CD2-CE2 3.97Å; L485-F547 HydrophobicContact CD2-CG 3.84Å; L485-F547 HydrophobicContact CD2-CZ 3.92Å; L485-F547 HydrophobicContact CG-CE1 4.32Å; L485-F547 HydrophobicContact CG-CZ 4.45Å; E489-F547 HydrophobicContact CG-CE1 4.33Å; I543-F547 HydrophobicContact CG2-CE2 3.89Å; I543-F547 VanDerWaalsContact O-CD2 3.3Å; I543-F547 WeakPolarHBondContact O-CD2 3.43Å; N544-F547 PolarHBondContact O-N 2.66Å; F547-Y552 HydrophobicContact CB-CE2 4.48Å; F547-Y552 HydrophobicContact CD1-CE2 4.01Å; F547-Y552 WeakPolarHBondContact CD1-OH 3.37Å
548	D	85.5	Confident	87.2	Confident	39 Å²	39	36.1 Å²	36.1	21%	0.209	17%	0.174	C	C	.	.	S	Bend	trans	-129.7	171.9	-172.4	71.5	12.1	0	0	0	111.3	R531 I546 I550 S551 Y552	R531-D548 IonicContact CZ-OD1 3.86Å; R531-D548 IonicContact CZ-OD2 3.56Å; R531-D548 IonicContact NE-OD1 3.8Å; R531-D548 IonicContact NE-OD2 3.67Å; R531-D548 PolarHBondContact NE-OD2 3.26Å; R531-D548 VanDerWaalsContact NH2-CG 3.31Å; R531-D548 IonicContact NH2-OD1 2.66Å; R531-D548 PolarHBondContact NH2-OD1 3.43Å; R531-D548 IonicContact NH2-OD2 3.62Å; R531-D548 PolarHBondContact NH2-OD2 3.3Å; I546-D548 PolarHBondContact O-N 3.28Å; D548-I550 PolarHBondContact O-N 3.17Å; D548-I550 WeakPolarHBondContact OD1-CA 3.47Å; D548-I550 WeakPolarHBondContact OD1-CB 3.37Å; D548-I550 PolarHBondContact OD1-N 2.73Å; D548-S551 PolarHBondContact O-N 3.48Å; D548-S551 VanDerWaalsContact O-N 3.13Å; D548-S551 PolarHBondContact OD1-N 3.27Å; D548-Y552 VanDerWaalsContact O-CD2 3.3Å; D548-Y552 WeakPolarHBondContact O-CD2 3.5Å; D548-Y552 PolarHBondContact O-N 2.9Å
549	P	90	Very high	88.1	Confident	48 Å²	48	31.8 Å²	31.8	31%	0.312	16%	0.157	S	C	.	.	H	α-helix	trans	-55	-18.3	176.7	-29.9	38.1	0	0	0	115.3	V521 N553 K554	V521-P549 HydrophobicContact CG2-CB 4.13Å; V521-P549 WeakPolarHBondContact CG2-O 3.42Å; P549-N553 WeakPolarHBondContact CB-OD1 3.21Å; P549-N553 WeakPolarHBondContact O-CA 3.31Å; P549-N553 VanDerWaalsContact O-CB 3.29Å; P549-N553 WeakPolarHBondContact O-CB 3.32Å; P549-N553 PolarHBondContact O-N 3.3Å; P549-K554 PolarHBondContact O-N 3Å; P549-K554 VanDerWaalsContact O-N 3.12Å
550	I	94.2	Very high	89.2	Confident	5 Å²	5	28 Å²	28	3%	0.026	14%	0.142	C	C	.	.	I	π-helix	trans	-72.9	-45.1	177.6	-52.9	-56.5	0	0	0	110.5	V521 D525 R531 V533 D548 K554 G555	V521-I550 HydrophobicContact CG2-CD1 4.03Å; D525-I550 HydrophobicContact CB-CD1 3.59Å; R531-I550 HydrophobicContact CG-CG1 4.35Å; R531-I550 HydrophobicContact CG-CG2 4.38Å; V533-I550 HydrophobicContact CB-CG2 4.47Å; V533-I550 HydrophobicContact CG2-CG2 3.86Å; D548-I550 PolarHBondContact O-N 3.17Å; D548-I550 WeakPolarHBondContact OD1-CA 3.47Å; D548-I550 WeakPolarHBondContact OD1-CB 3.37Å; D548-I550 PolarHBondContact OD1-N 2.73Å; I550-K554 HydrophobicContact CG2-CD 4.23Å; I550-K554 WeakPolarHBondContact O-CB 3.34Å; I550-G555 PolarHBondContact O-N 2.81Å
551	S	96	Very high	90.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	13%	0.133	C	C	.	.	I	π-helix	trans	-65.9	-45	176.4	-69.3	0	0	0	0	112.1	R531 I546 D548	R531-S551 PolarHBondContact NH2-OG 2.98Å; I546-S551 VanDerWaalsContact O-CB 3.3Å; I546-S551 WeakPolarHBondContact O-CB 3.49Å; I546-S551 PolarHBondContact O-OG 3.48Å; D548-S551 PolarHBondContact O-N 3.48Å; D548-S551 VanDerWaalsContact O-N 3.13Å; D548-S551 PolarHBondContact OD1-N 3.27Å
552	Y	97.7	Very high	91.8	Very high	58 Å²	58	23.1 Å²	23.1	23%	0.227	11%	0.114	C	C	.	.	I	π-helix	trans	-77	-73.4	-177.1	-72.5	-103.1	0	0	0	111.2	H466 E489 S493 F547 D548 G555 A556	H466-Y552 AromaticContact CE1-CD1 4Å; H466-Y552 AromaticContact CE1-CE1 3.93Å; H466-Y552 AromaticContact NE2-CE1 3.9Å; E489-Y552 HydrophobicContact CB-CD1 3.91Å; E489-Y552 HydrophobicContact CB-CD2 4.05Å; E489-Y552 HydrophobicContact CB-CE1 3.79Å; E489-Y552 HydrophobicContact CB-CE2 3.99Å; E489-Y552 HydrophobicContact CB-CG 4.02Å; E489-Y552 HydrophobicContact CG-CD2 4.4Å; E489-Y552 HydrophobicContact CG-CE1 4.01Å; E489-Y552 HydrophobicContact CG-CE2 3.85Å; E489-Y552 WeakPolarHBondContact OE2-CE1 3.26Å; E489-Y552 PolarHBondContact OE2-OH 2.79Å; S493-Y552 WeakPolarHBondContact OG-CD1 3.37Å; F547-Y552 HydrophobicContact CB-CE2 4.48Å; F547-Y552 HydrophobicContact CD1-CE2 4.01Å; F547-Y552 WeakPolarHBondContact CD1-OH 3.37Å; D548-Y552 VanDerWaalsContact O-CD2 3.3Å; D548-Y552 WeakPolarHBondContact O-CD2 3.5Å; D548-Y552 PolarHBondContact O-N 2.9Å; Y552-G555 PolarHBondContact O-N 3.5Å; Y552-A556 WeakPolarHBondContact O-CB 3.24Å; Y552-A556 PolarHBondContact O-N 2.95Å
553	N	98.4	Very high	92.9	Very high	12 Å²	12	21.3 Å²	21.3	6%	0.064	11%	0.106	C	C	.	.	I	π-helix	trans	-76.6	-39.2	-163.8	-58.6	120	0	0	0	112.3	D516 D517 K520 V521 P549 S557	D516-N553 PolarHBondContact O-ND2 3.2Å; D517-N553 HydrophobicContact CB-CB 4.45Å; D517-N553 VanDerWaalsContact CG-ND2 3.33Å; D517-N553 VanDerWaalsContact OD1-CA 3.25Å; D517-N553 WeakPolarHBondContact OD1-CA 3.35Å; D517-N553 PolarHBondContact OD1-ND2 3.38Å; K520-N553 PolarHBondContact NZ-OD1 3.11Å; V521-N553 HydrophobicContact CB-CB 3.57Å; V521-N553 HydrophobicContact CG1-CB 3.92Å; V521-N553 HydrophobicContact CG2-CB 4Å; P549-N553 WeakPolarHBondContact CB-OD1 3.21Å; P549-N553 WeakPolarHBondContact O-CA 3.31Å; P549-N553 VanDerWaalsContact O-CB 3.29Å; P549-N553 WeakPolarHBondContact O-CB 3.32Å; P549-N553 PolarHBondContact O-N 3.3Å; N553-S557 VanDerWaalsContact O-CB 3.28Å; N553-S557 WeakPolarHBondContact O-CB 3.43Å; N553-S557 PolarHBondContact O-N 2.86Å; N553-S557 PolarHBondContact O-OG 2.81Å
554	K	98.5	Very high	93.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-70.9	-40.6	174	178.9	175.3	-177.2	172.8	0	110.6	V521 D525 V533 P549 I550 A556 S557 V558 W616 N621 F709	V521-K554 HydrophobicContact CG1-CB 4.24Å; V521-K554 HydrophobicContact CG2-CB 3.84Å; D525-K554 IonicContact OD1-NZ 2.75Å; D525-K554 VanDerWaalsContact OD2-CD 3.32Å; D525-K554 WeakPolarHBondContact OD2-CD 3.49Å; D525-K554 WeakPolarHBondContact OD2-CE 3.45Å; D525-K554 IonicContact OD2-NZ 2.72Å; D525-K554 PolarHBondContact OD2-NZ 3.34Å; V533-K554 HydrophobicContact CG2-CB 4.3Å; V533-K554 HydrophobicContact CG2-CD 3.54Å; V533-K554 HydrophobicContact CG2-CG 3.74Å; P549-K554 PolarHBondContact O-N 3Å; P549-K554 VanDerWaalsContact O-N 3.12Å; I550-K554 HydrophobicContact CG2-CD 4.23Å; I550-K554 WeakPolarHBondContact O-CB 3.34Å; K554-A556 PolarHBondContact O-N 3.45Å; K554-S557 PolarHBondContact O-N 3.32Å; K554-V558 WeakPolarHBondContact O-CG2 3.33Å; K554-V558 PolarHBondContact O-N 3.08Å; K554-W616 WeakPolarHBondContact CE-O 3.47Å; K554-N621 PolarHBondContact NZ-O 2.95Å; K554-F709 HydrophobicContact CB-CE1 4.5Å; K554-F709 HydrophobicContact CB-CZ 4.27Å; K554-F709 HydrophobicContact CD-CD1 4.35Å; K554-F709 HydrophobicContact CD-CE1 3.66Å; K554-F709 HydrophobicContact CD-CZ 4.15Å; K554-F709 HydrophobicContact CG-CD1 4.15Å; K554-F709 HydrophobicContact CG-CE1 3.72Å; K554-F709 HydrophobicContact CG-CZ 3.98Å
555	G	98.3	Very high	94.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-51.7	-51.6	170.9	0	0	0	0	0	112.3	I550 Y552 S557 V558 L559	I550-G555 PolarHBondContact O-N 2.81Å; Y552-G555 PolarHBondContact O-N 3.5Å; G555-S557 PolarHBondContact O-N 2.87Å; G555-V558 WeakPolarHBondContact O-CG2 3.22Å; G555-V558 PolarHBondContact O-N 3.44Å; G555-L559 WeakPolarHBondContact O-CG 3.46Å; G555-L559 PolarHBondContact O-N 3.5Å; G555-L559 VanDerWaalsContact O-N 3.14Å
556	A	98.8	Very high	95.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.5	-42.6	175.5	0	0	0	0	0	112.9	G490 F494 F513 Y552 K554 V558 L559 R560	G490-A556 WeakPolarHBondContact O-CA 3.48Å; F494-A556 HydrophobicContact CB-CB 4.11Å; F513-A556 HydrophobicContact CE2-CB 4.14Å; F513-A556 HydrophobicContact CZ-CB 3.88Å; Y552-A556 WeakPolarHBondContact O-CB 3.24Å; Y552-A556 PolarHBondContact O-N 2.95Å; K554-A556 PolarHBondContact O-N 3.45Å; A556-V558 PolarHBondContact O-N 3Å; A556-L559 WeakPolarHBondContact O-CB 3.46Å; A556-L559 PolarHBondContact O-N 2.62Å; A556-R560 PolarHBondContact O-N 2.82Å
557	S	98.8	Very high	95.9	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.014	7%	0.071	C	C	.	.	H	α-helix	trans	-63.7	-39.6	-179	-61.8	0	0	0	0	112.5	N553 K554 G555 R560 M561	N553-S557 VanDerWaalsContact O-CB 3.28Å; N553-S557 WeakPolarHBondContact O-CB 3.43Å; N553-S557 PolarHBondContact O-N 2.86Å; N553-S557 PolarHBondContact O-OG 2.81Å; K554-S557 PolarHBondContact O-N 3.32Å; G555-S557 PolarHBondContact O-N 2.87Å; S557-R560 PolarHBondContact O-N 3.32Å; S557-M561 PolarHBondContact O-N 3.27Å
558	V	98.4	Very high	96.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-72.7	-30	174.9	-65.8	0	0	0	0	112.4	K554 G555 A556 M561 M562 W616 M617	K554-V558 WeakPolarHBondContact O-CG2 3.33Å; K554-V558 PolarHBondContact O-N 3.08Å; G555-V558 WeakPolarHBondContact O-CG2 3.22Å; G555-V558 PolarHBondContact O-N 3.44Å; A556-V558 PolarHBondContact O-N 3Å; V558-M561 HydrophobicContact CB-CE 4.4Å; V558-M561 HydrophobicContact CG1-CE 4.17Å; V558-M561 PolarHBondContact O-N 2.9Å; V558-M562 WeakPolarHBondContact O-CG 3.4Å; V558-M562 PolarHBondContact O-N 3.43Å; V558-W616 HydrophobicContact CG1-CB 4.2Å; V558-M617 HydrophobicContact CB-SD 4.41Å; V558-M617 HydrophobicContact CG1-SD 4.29Å; V558-M617 HydrophobicContact CG2-CE 3.76Å; V558-M617 HydrophobicContact CG2-SD 3.58Å; V558-M617 VanDerWaalsContact CG2-SD 3.58Å
559	L	98.7	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.8	-45.4	170.8	-74.2	162.7	0	0	0	111	W486 G490 F491 F494 G555 A556 M561 M562 E563 F571	W486-L559 HydrophobicContact CZ3-CD2 4.46Å; W486-L559 HydrophobicContact CZ3-CG 4.48Å; G490-L559 WeakPolarHBondContact O-CD1 3.2Å; F491-L559 HydrophobicContact CB-CD1 4.37Å; F491-L559 HydrophobicContact CD1-CD1 4.03Å; F491-L559 HydrophobicContact CD1-CD2 4.23Å; F491-L559 HydrophobicContact CD2-CD1 3.92Å; F491-L559 HydrophobicContact CD2-CD2 4.24Å; F491-L559 HydrophobicContact CE1-CD1 4.31Å; F491-L559 HydrophobicContact CE1-CD2 3.67Å; F491-L559 HydrophobicContact CE2-CD1 4.21Å; F491-L559 HydrophobicContact CE2-CD2 3.68Å; F491-L559 HydrophobicContact CG-CD1 3.84Å; F491-L559 HydrophobicContact CG-CD2 4.5Å; F491-L559 HydrophobicContact CZ-CD1 4.41Å; F491-L559 HydrophobicContact CZ-CD2 3.37Å; F494-L559 HydrophobicContact CB-CB 4.21Å; F494-L559 HydrophobicContact CB-CD1 3.94Å; F494-L559 HydrophobicContact CD1-CB 4.4Å; F494-L559 HydrophobicContact CD2-CB 4.04Å; F494-L559 HydrophobicContact CG-CB 3.95Å; F494-L559 HydrophobicContact CG-CD1 4.42Å; G555-L559 WeakPolarHBondContact O-CG 3.46Å; G555-L559 PolarHBondContact O-N 3.5Å; G555-L559 VanDerWaalsContact O-N 3.14Å; A556-L559 WeakPolarHBondContact O-CB 3.46Å; A556-L559 PolarHBondContact O-N 2.62Å; L559-M561 VanDerWaalsContact C-N 3.35Å; L559-M561 PolarHBondContact O-N 2.75Å; L559-M562 HydrophobicContact CB-CE 4.49Å; L559-M562 HydrophobicContact CD2-CE 3.61Å; L559-M562 HydrophobicContact CG-CE 4.11Å; L559-M562 WeakPolarHBondContact O-CB 3.47Å; L559-M562 PolarHBondContact O-N 3.23Å; L559-E563 PolarHBondContact O-N 2.86Å; L559-F571 HydrophobicContact CB-CZ 4.45Å; L559-F571 HydrophobicContact CD2-CE2 4.25Å; L559-F571 HydrophobicContact CD2-CZ 3.85Å
560	R	97.9	Very high	97.4	Very high	13 Å²	13	20.7 Å²	20.7	5%	0.049	10%	0.099	C	C	.	.	H	α-helix	trans	-59.5	-43.4	172.7	-177.2	176	176.1	134.6	6.9	112.2	F494 D510 F513 A556 S557 M562 E563 S564	F494-R560 HydrophobicContact CD2-CB 4.29Å; F494-R560 HydrophobicContact CE2-CB 4.02Å; D510-R560 PolarHBondContact O-NH1 3.45Å; D510-R560 IonicContact OD1-CZ 3.14Å; D510-R560 IonicContact OD1-NH1 3.75Å; D510-R560 PolarHBondContact OD1-NH1 3.2Å; D510-R560 IonicContact OD1-NH2 3.38Å; D510-R560 PolarHBondContact OD1-NH2 3.28Å; D510-R560 IonicContact OD2-NH2 3.95Å; F513-R560 VanDerWaalsContact CD1-CD 3.44Å; F513-R560 VanDerWaalsContact CD1-NH1 3.26Å; F513-R560 HydrophobicContact CE1-CB 4.08Å; F513-R560 HydrophobicContact CE1-CG 4.35Å; F513-R560 VanDerWaalsContact CG-NH1 3.27Å; F513-R560 HydrophobicContact CZ-CB 4.14Å; A556-R560 PolarHBondContact O-N 2.82Å; S557-R560 PolarHBondContact O-N 3.32Å; R560-M562 VanDerWaalsContact C-N 3.33Å; R560-M562 PolarHBondContact O-N 3.04Å; R560-E563 PolarHBondContact O-N 3.1Å; R560-S564 WeakPolarHBondContact O-CB 3.48Å; R560-S564 PolarHBondContact O-N 2.92Å
561	M	98.4	Very high	97.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-41.3	175.3	-176	175.7	58.6	0	0	111.9	S557 V558 L559 S564 F565 M613 W616 P664 A707	S557-M561 PolarHBondContact O-N 3.27Å; V558-M561 HydrophobicContact CB-CE 4.4Å; V558-M561 HydrophobicContact CG1-CE 4.17Å; V558-M561 PolarHBondContact O-N 2.9Å; L559-M561 VanDerWaalsContact C-N 3.35Å; L559-M561 PolarHBondContact O-N 2.75Å; M561-S564 WeakPolarHBondContact O-CB 3.13Å; M561-S564 PolarHBondContact O-N 3.36Å; M561-F565 HydrophobicContact CG-CD1 4.33Å; M561-F565 WeakPolarHBondContact O-CD1 3.32Å; M561-F565 PolarHBondContact O-N 3.18Å; M561-F565 VanDerWaalsContact O-N 3.11Å; M561-M613 HydrophobicContact CE-CE 4.04Å; M561-M613 HydrophobicContact CE-SD 4.35Å; M561-W616 HydrophobicContact CE-CD2 3.71Å; M561-W616 HydrophobicContact CE-CE3 4.27Å; M561-W616 HydrophobicContact CE-CG 3.92Å; M561-W616 HydrophobicContact CE-CZ2 4.09Å; M561-W616 HydrophobicContact SD-CH2 4.35Å; M561-W616 HydrophobicContact SD-CZ2 3.98Å; M561-P664 HydrophobicContact CG-CG 3.97Å; M561-P664 HydrophobicContact SD-CG 3.96Å; M561-A707 VanDerWaalsContact CA-O 3.23Å; M561-A707 WeakPolarHBondContact CA-O 3.46Å; M561-A707 VanDerWaalsContact CB-O 3.3Å; M561-A707 WeakPolarHBondContact CB-O 3.47Å
562	M	98.2	Very high	97.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.4	-44.9	173.8	-72.9	-172.9	-73.6	0	0	112.6	V558 L559 R560 S564 F565 M566 F571 W593 L596 V609 M613	V558-M562 WeakPolarHBondContact O-CG 3.4Å; V558-M562 PolarHBondContact O-N 3.43Å; L559-M562 HydrophobicContact CB-CE 4.49Å; L559-M562 HydrophobicContact CD2-CE 3.61Å; L559-M562 HydrophobicContact CG-CE 4.11Å; L559-M562 WeakPolarHBondContact O-CB 3.47Å; L559-M562 PolarHBondContact O-N 3.23Å; R560-M562 VanDerWaalsContact C-N 3.33Å; R560-M562 PolarHBondContact O-N 3.04Å; M562-S564 VanDerWaalsContact C-N 3.25Å; M562-S564 PolarHBondContact O-N 3.47Å; M562-F565 VanDerWaalsContact CA-CE1 3.41Å; M562-F565 HydrophobicContact CB-CE1 4.12Å; M562-F565 HydrophobicContact CB-CZ 4.15Å; M562-F565 HydrophobicContact CG-CE1 3.77Å; M562-F565 HydrophobicContact CG-CZ 3.77Å; M562-M566 HydrophobicContact CB-SD 4.49Å; M562-M566 WeakPolarHBondContact O-CB 3.4Å; M562-M566 WeakPolarHBondContact O-CG 3.26Å; M562-M566 PolarHBondContact O-N 3.25Å; M562-F571 HydrophobicContact CB-CD2 4.01Å; M562-F571 HydrophobicContact CB-CE2 3.85Å; M562-W593 HydrophobicContact CE-CH2 4.15Å; M562-W593 HydrophobicContact CE-CZ3 3.74Å; M562-W593 HydrophobicContact SD-CE3 4.31Å; M562-W593 HydrophobicContact SD-CH2 4.25Å; M562-W593 HydrophobicContact SD-CZ3 3.51Å; M562-W593 VanDerWaalsContact SD-CZ3 3.51Å; M562-L596 HydrophobicContact CE-CD1 4.37Å; M562-L596 HydrophobicContact SD-CD1 3.72Å; M562-V609 HydrophobicContact SD-CG1 3.85Å; M562-M613 HydrophobicContact CE-SD 4.33Å; M562-M613 HydrophobicContact CG-CE 3.95Å; M562-M613 HydrophobicContact CG-CG 4.14Å; M562-M613 HydrophobicContact CG-SD 3.59Å; M562-M613 VanDerWaalsContact CG-SD 3.59Å; M562-M613 HydrophobicContact SD-CG 3.51Å; M562-M613 VanDerWaalsContact SD-CG 3.51Å; M562-M613 HydrophobicContact SD-SD 3.66Å; M562-M613 VanDerWaalsContact SD-SD 3.66Å
563	E	97.8	Very high	97.7	Very high	16 Å²	16	22.8 Å²	22.8	8%	0.075	12%	0.115	C	C	.	.	H	α-helix	trans	-56	-44.7	174.7	-168.3	-166.7	-134.7	0	0	110.8	F494 L559 R560 G567 R568 F571	F494-E563 HydrophobicContact CZ-CB 4.39Å; L559-E563 PolarHBondContact O-N 2.86Å; R560-E563 PolarHBondContact O-N 3.1Å; E563-G567 CarbonylContact O-C 3.49Å; E563-G567 VanDerWaalsContact O-C 3.25Å; E563-G567 WeakPolarHBondContact O-CA 3.25Å; E563-G567 PolarHBondContact O-N 3.42Å; E563-R568 HydrophobicContact CG-CB 4.18Å; E563-R568 VanDerWaalsContact OE1-CG 3.27Å; E563-R568 WeakPolarHBondContact OE1-CG 3.41Å; E563-R568 IonicContact OE1-CZ 3.9Å; E563-R568 IonicContact OE1-NE 3.23Å; E563-R568 PolarHBondContact OE1-NE 2.98Å; E563-R568 IonicContact OE1-NH2 3.24Å; E563-R568 IonicContact OE2-CZ 3.63Å; E563-R568 IonicContact OE2-NE 2.84Å; E563-R568 PolarHBondContact OE2-NE 3.35Å; E563-R568 IonicContact OE2-NH2 3.43Å; E563-R568 PolarHBondContact OE2-NH2 2.93Å; E563-F571 HydrophobicContact CB-CB 4.32Å; E563-F571 HydrophobicContact CB-CD1 3.96Å; E563-F571 HydrophobicContact CB-CD2 4.4Å; E563-F571 HydrophobicContact CB-CE1 4.38Å; E563-F571 HydrophobicContact CB-CG 3.96Å; E563-F571 HydrophobicContact CG-CB 4.12Å; E563-F571 HydrophobicContact CG-CD1 3.92Å; E563-F571 HydrophobicContact CG-CG 4.11Å
564	S	96	Very high	97.7	Very high	16 Å²	16	22.2 Å²	22.2	11%	0.112	11%	0.112	C	C	.	.	H	α-helix	trans	-59	-61.2	179	161.4	0	0	0	0	112.3	R560 M561 M562 M566 G567 E677 T678 A707	R560-S564 WeakPolarHBondContact O-CB 3.48Å; R560-S564 PolarHBondContact O-N 2.92Å; M561-S564 WeakPolarHBondContact O-CB 3.13Å; M561-S564 PolarHBondContact O-N 3.36Å; M562-S564 VanDerWaalsContact C-N 3.25Å; M562-S564 PolarHBondContact O-N 3.47Å; S564-M566 VanDerWaalsContact C-N 3.33Å; S564-M566 PolarHBondContact O-N 2.71Å; S564-G567 PolarHBondContact O-N 3.08Å; S564-E677 VanDerWaalsContact OG-CB 3.32Å; S564-E677 WeakPolarHBondContact OG-CB 3.48Å; S564-E677 PolarHBondContact OG-O 3.07Å; S564-T678 WeakPolarHBondContact O-CG2 3.39Å; S564-A707 WeakPolarHBondContact OG-CB 3.45Å
565	F	96	Very high	97.7	Very high	5 Å²	5	22.5 Å²	22.5	2%	0.022	11%	0.113	C	C	.	.	H	α-helix	trans	-72	-26.6	-175.3	71	-109.7	0	0	0	113.2	M561 M562 K605 V607 M613 P664 V680 W682	M561-F565 HydrophobicContact CG-CD1 4.33Å; M561-F565 WeakPolarHBondContact O-CD1 3.32Å; M561-F565 PolarHBondContact O-N 3.18Å; M561-F565 VanDerWaalsContact O-N 3.11Å; M562-F565 VanDerWaalsContact CA-CE1 3.41Å; M562-F565 HydrophobicContact CB-CE1 4.12Å; M562-F565 HydrophobicContact CB-CZ 4.15Å; M562-F565 HydrophobicContact CG-CE1 3.77Å; M562-F565 HydrophobicContact CG-CZ 3.77Å; F565-K605 PolarHBondContact O-NZ 3.13Å; F565-V607 HydrophobicContact CD2-CG2 4.44Å; F565-V607 HydrophobicContact CE2-CG1 4.21Å; F565-V607 HydrophobicContact CE2-CG2 3.9Å; F565-M613 HydrophobicContact CE1-CE 3.72Å; F565-M613 HydrophobicContact CZ-CE 3.96Å; F565-P664 HydrophobicContact CB-CB 4.09Å; F565-P664 HydrophobicContact CD1-CB 4.3Å; F565-P664 HydrophobicContact CD1-CG 3.98Å; F565-V680 HydrophobicContact CB-CG1 3.76Å; F565-V680 HydrophobicContact CB-CG2 4.43Å; F565-W682 HydrophobicContact CD1-CH2 4.24Å; F565-W682 HydrophobicContact CD2-CH2 4.13Å; F565-W682 HydrophobicContact CD2-CZ2 4.04Å; F565-W682 HydrophobicContact CE1-CH2 4.38Å; F565-W682 HydrophobicContact CE2-CH2 4.31Å; F565-W682 HydrophobicContact CE2-CZ2 4.47Å; F565-W682 HydrophobicContact CG-CH2 4.13Å; F565-W682 HydrophobicContact CG-CZ2 4.24Å; F565-W682 HydrophobicContact CZ-CH2 4.44Å
566	M	96.3	Very high	97.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-81.1	-27.7	176	-64	-179.3	58.6	0	0	112.3	M562 S564 T570 F571 L596 A600 K605 V609	M562-M566 HydrophobicContact CB-SD 4.49Å; M562-M566 WeakPolarHBondContact O-CB 3.4Å; M562-M566 WeakPolarHBondContact O-CG 3.26Å; M562-M566 PolarHBondContact O-N 3.25Å; S564-M566 VanDerWaalsContact C-N 3.33Å; S564-M566 PolarHBondContact O-N 2.71Å; M566-T570 HydrophobicContact CB-CG2 4.48Å; M566-T570 HydrophobicContact CE-CG2 4.05Å; M566-T570 WeakPolarHBondContact O-CB 3.49Å; M566-F571 HydrophobicContact CB-CB 4.31Å; M566-F571 HydrophobicContact SD-CD2 4.24Å; M566-L596 HydrophobicContact CE-CB 3.9Å; M566-L596 HydrophobicContact CE-CD2 3.98Å; M566-L596 WeakPolarHBondContact CE-O 3.47Å; M566-L596 HydrophobicContact SD-CB 4.12Å; M566-L596 HydrophobicContact SD-CD2 4.25Å; M566-A600 HydrophobicContact CE-CB 4.24Å; M566-K605 WeakPolarHBondContact O-CE 3.01Å; M566-K605 PolarHBondContact O-NZ 3.13Å; M566-V609 HydrophobicContact SD-CG2 4.15Å
567	G	96	Very high	97.7	Very high	13 Å²	13	27.1 Å²	27.1	13%	0.134	14%	0.135	C	C	.	.			trans	82.4	138.3	-165.6	0	0	0	0	0	111.6	E563 S564 N569 T570 F571	E563-G567 CarbonylContact O-C 3.49Å; E563-G567 VanDerWaalsContact O-C 3.25Å; E563-G567 WeakPolarHBondContact O-CA 3.25Å; E563-G567 PolarHBondContact O-N 3.42Å; S564-G567 PolarHBondContact O-N 3.08Å; G567-N569 PolarHBondContact O-N 3.11Å; G567-T570 PolarHBondContact O-N 2.78Å; G567-T570 VanDerWaalsContact O-N 3.07Å; G567-F571 PolarHBondContact O-N 2.93Å
568	R	95.6	Very high	97.7	Very high	141 Å²	141	27.2 Å²	27.2	53%	0.532	14%	0.135	S	C	.	.	H	α-helix	trans	-47.6	-48.9	-174.7	-179.6	160.7	-65.6	151	7.4	114.6	E563 T570 F571 R572	E563-R568 HydrophobicContact CG-CB 4.18Å; E563-R568 VanDerWaalsContact OE1-CG 3.27Å; E563-R568 WeakPolarHBondContact OE1-CG 3.41Å; E563-R568 IonicContact OE1-CZ 3.9Å; E563-R568 IonicContact OE1-NE 3.23Å; E563-R568 PolarHBondContact OE1-NE 2.98Å; E563-R568 IonicContact OE1-NH2 3.24Å; E563-R568 IonicContact OE2-CZ 3.63Å; E563-R568 IonicContact OE2-NE 2.84Å; E563-R568 PolarHBondContact OE2-NE 3.35Å; E563-R568 IonicContact OE2-NH2 3.43Å; E563-R568 PolarHBondContact OE2-NH2 2.93Å; R568-T570 PolarHBondContact O-N 3.02Å; R568-F571 PolarHBondContact O-N 3.25Å; R568-R572 WeakPolarHBondContact O-CB 3.5Å; R568-R572 PolarHBondContact O-N 3.23Å
569	N	96.7	Very high	97.7	Very high	132 Å²	132	27.2 Å²	27.2	71%	0.706	14%	0.135	S	C	*	.	H	α-helix	trans	-64.9	-41.4	-178.3	-69	-22.4	0	0	0	112.5	G567 A573	G567-N569 PolarHBondContact O-N 3.11Å; N569-A573 VanDerWaalsContact O-CB 3.31Å; N569-A573 WeakPolarHBondContact O-CB 3.25Å; N569-A573 PolarHBondContact O-N 2.73Å
570	T	97.8	Very high	97.7	Very high	18 Å²	18	33.9 Å²	33.9	11%	0.11	16%	0.162	C	C	.	.	H	α-helix	trans	-71.1	-43.3	179.9	-60.9	0	0	0	0	111.3	M566 G567 R568 A573 G574 A599 V603	M566-T570 HydrophobicContact CB-CG2 4.48Å; M566-T570 HydrophobicContact CE-CG2 4.05Å; M566-T570 WeakPolarHBondContact O-CB 3.49Å; G567-T570 PolarHBondContact O-N 2.78Å; G567-T570 VanDerWaalsContact O-N 3.07Å; R568-T570 PolarHBondContact O-N 3.02Å; T570-A573 PolarHBondContact O-N 3.1Å; T570-G574 PolarHBondContact O-N 2.86Å; T570-A599 HydrophobicContact CG2-CB 4.21Å; T570-A599 WeakPolarHBondContact CG2-O 3.08Å; T570-A599 WeakPolarHBondContact O-CB 3.29Å; T570-V603 HydrophobicContact CG2-CG2 3.71Å; T570-V603 WeakPolarHBondContact OG1-CG2 3.18Å
571	F	98.4	Very high	97.7	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.013	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-52.9	174.6	176.8	-98.5	0	0	0	111.1	F494 L559 M562 E563 M566 G567 R568 A573 G574 V575 L596	F494-F571 AromaticContact CE1-CE1 3.79Å; F494-F571 HydrophobicContact CE1-CE1 3.79Å; F494-F571 HydrophobicContact CE1-CZ 4.38Å; F494-F571 HydrophobicContact CZ-CE1 4.14Å; L559-F571 HydrophobicContact CB-CZ 4.45Å; L559-F571 HydrophobicContact CD2-CE2 4.25Å; L559-F571 HydrophobicContact CD2-CZ 3.85Å; M562-F571 HydrophobicContact CB-CD2 4.01Å; M562-F571 HydrophobicContact CB-CE2 3.85Å; E563-F571 HydrophobicContact CB-CB 4.32Å; E563-F571 HydrophobicContact CB-CD1 3.96Å; E563-F571 HydrophobicContact CB-CD2 4.4Å; E563-F571 HydrophobicContact CB-CE1 4.38Å; E563-F571 HydrophobicContact CB-CG 3.96Å; E563-F571 HydrophobicContact CG-CB 4.12Å; E563-F571 HydrophobicContact CG-CD1 3.92Å; E563-F571 HydrophobicContact CG-CG 4.11Å; M566-F571 HydrophobicContact CB-CB 4.31Å; M566-F571 HydrophobicContact SD-CD2 4.24Å; G567-F571 PolarHBondContact O-N 2.93Å; R568-F571 PolarHBondContact O-N 3.25Å; F571-A573 VanDerWaalsContact C-N 3.32Å; F571-A573 PolarHBondContact O-N 2.88Å; F571-G574 WeakPolarHBondContact O-CA 3.2Å; F571-G574 PolarHBondContact O-N 2.92Å; F571-V575 HydrophobicContact CD1-CG2 4.19Å; F571-V575 HydrophobicContact CE1-CG2 3.76Å; F571-V575 HydrophobicContact CE2-CG2 4.22Å; F571-V575 HydrophobicContact CZ-CG2 3.77Å; F571-V575 WeakPolarHBondContact O-CG2 3.38Å; F571-V575 PolarHBondContact O-N 2.83Å; F571-L596 HydrophobicContact CD2-CD2 3.82Å; F571-L596 HydrophobicContact CE2-CD1 4.25Å; F571-L596 HydrophobicContact CE2-CD2 4.05Å
572	R	97.9	Very high	97.6	Very high	67 Å²	67	38.4 Å²	38.4	25%	0.253	18%	0.184	S	C	.	.	H	α-helix	trans	-57.3	-42.5	177.5	-178.4	-179.8	163.4	-168.4	-1.6	112.3	E408 Y409 E411 R568 G574 V575 K576	E408-R572 PolarHBondContact O-NH2 2.9Å; Y409-R572 HydrophobicContact CE1-CG 4.42Å; Y409-R572 PolarHBondContact O-NE 3.3Å; Y409-R572 PolarHBondContact O-NH2 3.48Å; E411-R572 IonicContact OE1-NH2 2.77Å; R568-R572 WeakPolarHBondContact O-CB 3.5Å; R568-R572 PolarHBondContact O-N 3.23Å; R572-G574 VanDerWaalsContact C-N 3.31Å; R572-G574 PolarHBondContact O-N 3.39Å; R572-V575 PolarHBondContact O-N 3.49Å; R572-K576 WeakPolarHBondContact O-CB 3.49Å; R572-K576 PolarHBondContact O-N 3.28Å
573	A	98.1	Very high	97.6	Very high	39 Å²	39	42.6 Å²	42.6	32%	0.322	20%	0.202	S	C	.	.	H	α-helix	trans	-62.1	-37.5	175.9	0	0	0	0	0	112.6	N569 T570 F571 N577	N569-A573 VanDerWaalsContact O-CB 3.31Å; N569-A573 WeakPolarHBondContact O-CB 3.25Å; N569-A573 PolarHBondContact O-N 2.73Å; T570-A573 PolarHBondContact O-N 3.1Å; F571-A573 VanDerWaalsContact C-N 3.32Å; F571-A573 PolarHBondContact O-N 2.88Å; A573-N577 VanDerWaalsContact O-CG 3.24Å; A573-N577 PolarHBondContact O-N 3.12Å; A573-N577 VanDerWaalsContact O-N 3.09Å; A573-N577 PolarHBondContact O-ND2 3.11Å; A573-N577 VanDerWaalsContact O-ND2 3.09Å
574	G	98.6	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.1	-46.1	174.4	0	0	0	0	0	112.6	T570 F571 R572 K576 N577 Y578	T570-G574 PolarHBondContact O-N 2.86Å; F571-G574 WeakPolarHBondContact O-CA 3.2Å; F571-G574 PolarHBondContact O-N 2.92Å; R572-G574 VanDerWaalsContact C-N 3.31Å; R572-G574 PolarHBondContact O-N 3.39Å; G574-K576 PolarHBondContact O-N 3.45Å; G574-N577 PolarHBondContact O-N 3.19Å; G574-Y578 PolarHBondContact O-N 2.97Å
575	V	98.7	Very high	97.6	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.03	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-45.5	175.4	174	0	0	0	0	111.3	F410 F473 F491 F571 R572 N577 Y578 L579 L596	F410-V575 HydrophobicContact CD1-CG1 4.44Å; F473-V575 HydrophobicContact CE1-CG1 3.9Å; F473-V575 HydrophobicContact CZ-CG1 3.58Å; F491-V575 HydrophobicContact CE1-CG1 4.11Å; F491-V575 HydrophobicContact CE1-CG2 3.96Å; F491-V575 HydrophobicContact CZ-CG2 4.29Å; F571-V575 HydrophobicContact CD1-CG2 4.19Å; F571-V575 HydrophobicContact CE1-CG2 3.76Å; F571-V575 HydrophobicContact CE2-CG2 4.22Å; F571-V575 HydrophobicContact CZ-CG2 3.77Å; F571-V575 WeakPolarHBondContact O-CG2 3.38Å; F571-V575 PolarHBondContact O-N 2.83Å; R572-V575 PolarHBondContact O-N 3.49Å; V575-N577 VanDerWaalsContact C-N 3.35Å; V575-N577 PolarHBondContact O-N 3.28Å; V575-Y578 WeakPolarHBondContact O-CB 3.15Å; V575-Y578 PolarHBondContact O-N 3.42Å; V575-L579 HydrophobicContact CG1-CD1 4.12Å; V575-L579 HydrophobicContact CG1-CG 4.46Å; V575-L579 WeakPolarHBondContact O-CG 3.49Å; V575-L579 PolarHBondContact O-N 2.86Å; V575-L596 HydrophobicContact CG2-CD2 4.19Å
576	K	98.2	Very high	97.7	Very high	62 Å²	62	52.2 Å²	52.2	27%	0.27	24%	0.242	S	C	.	.	H	α-helix	trans	-55.1	-48.5	174.1	174.2	-174.7	179.1	-179.8	0	111.9	E411 R572 G574 Y578 L579 Y580	E411-K576 HydrophobicContact CB-CD 3.89Å; E411-K576 HydrophobicContact CB-CG 4.44Å; E411-K576 HydrophobicContact CG-CD 4.36Å; E411-K576 WeakPolarHBondContact OE1-CD 3.49Å; E411-K576 IonicContact OE1-NZ 3.23Å; E411-K576 PolarHBondContact OE1-NZ 2.86Å; E411-K576 IonicContact OE2-NZ 2.62Å; E411-K576 PolarHBondContact OE2-NZ 3.4Å; R572-K576 WeakPolarHBondContact O-CB 3.49Å; R572-K576 PolarHBondContact O-N 3.28Å; G574-K576 PolarHBondContact O-N 3.45Å; K576-Y578 VanDerWaalsContact C-N 3.35Å; K576-L579 PolarHBondContact O-N 2.99Å; K576-Y580 WeakPolarHBondContact O-CB 3.26Å; K576-Y580 PolarHBondContact O-N 2.71Å
577	N	98.4	Very high	97.7	Very high	36 Å²	36	52.3 Å²	52.3	19%	0.193	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-41.5	179.7	-72.1	-31.3	0	0	0	111.6	A573 G574 V575 Y580 Q581	A573-N577 VanDerWaalsContact O-CG 3.24Å; A573-N577 PolarHBondContact O-N 3.12Å; A573-N577 VanDerWaalsContact O-N 3.09Å; A573-N577 PolarHBondContact O-ND2 3.11Å; A573-N577 VanDerWaalsContact O-ND2 3.09Å; G574-N577 PolarHBondContact O-N 3.19Å; V575-N577 VanDerWaalsContact C-N 3.35Å; V575-N577 PolarHBondContact O-N 3.28Å; N577-Y580 PolarHBondContact O-N 3.04Å; N577-Q581 WeakPolarHBondContact O-CB 3.37Å; N577-Q581 WeakPolarHBondContact O-CG 3.09Å; N577-Q581 PolarHBondContact O-N 3.39Å
578	Y	98.7	Very high	97.8	Very high	3 Å²	3	54 Å²	54	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-57.4	-50.5	174.1	165.5	-104.6	0	0	0	111.4	V477 G574 V575 K576 N582 T587 D591 L592	V477-Y578 HydrophobicContact CG1-CE1 4.02Å; V477-Y578 HydrophobicContact CG1-CE2 4.37Å; V477-Y578 WeakPolarHBondContact CG1-OH 3.28Å; G574-Y578 PolarHBondContact O-N 2.97Å; V575-Y578 WeakPolarHBondContact O-CB 3.15Å; V575-Y578 PolarHBondContact O-N 3.42Å; K576-Y578 VanDerWaalsContact C-N 3.35Å; Y578-N582 VanDerWaalsContact CD2-ND2 3.35Å; Y578-N582 WeakPolarHBondContact CD2-ND2 3.5Å; Y578-N582 WeakPolarHBondContact O-CB 3.45Å; Y578-N582 PolarHBondContact O-N 3.42Å; Y578-N582 PolarHBondContact O-ND2 2.89Å; Y578-T587 HydrophobicContact CE2-CG2 3.92Å; Y578-T587 PolarHBondContact OH-OG1 3.49Å; Y578-D591 HydrophobicContact CD2-CB 4.28Å; Y578-D591 HydrophobicContact CE2-CB 3.99Å; Y578-L592 HydrophobicContact CD1-CD1 3.98Å; Y578-L592 HydrophobicContact CD2-CB 4.12Å; Y578-L592 HydrophobicContact CD2-CD1 4.35Å; Y578-L592 HydrophobicContact CE1-CD1 4.44Å; Y578-L592 HydrophobicContact CE2-CB 4.11Å; Y578-L592 HydrophobicContact CG-CD1 3.92Å
579	L	98.7	Very high	97.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-46.7	178.5	-69.8	173.3	0	0	0	112	F410 L412 W472 F473 V477 V575 K576 Q581 N582 K583	F410-L579 HydrophobicContact CB-CD1 4.04Å; F410-L579 HydrophobicContact CD1-CD1 4.04Å; F410-L579 HydrophobicContact CG-CD1 4.1Å; L412-L579 HydrophobicContact CD2-CB 4.14Å; W472-L579 HydrophobicContact CB-CD1 4.1Å; W472-L579 HydrophobicContact CB-CD2 4.16Å; W472-L579 HydrophobicContact CG-CD1 4.46Å; W472-L579 WeakPolarHBondContact O-CD2 3.43Å; F473-L579 HydrophobicContact CD1-CD2 3.99Å; F473-L579 HydrophobicContact CE1-CD1 4.11Å; F473-L579 HydrophobicContact CE1-CD2 3.74Å; F473-L579 HydrophobicContact CE1-CG 4.11Å; F473-L579 HydrophobicContact CE2-CD1 4.48Å; F473-L579 HydrophobicContact CZ-CD1 3.83Å; F473-L579 HydrophobicContact CZ-CD2 4.25Å; F473-L579 HydrophobicContact CZ-CG 4.34Å; V477-L579 HydrophobicContact CB-CD2 4.17Å; V477-L579 HydrophobicContact CG2-CD2 3.75Å; V575-L579 HydrophobicContact CG1-CD1 4.12Å; V575-L579 HydrophobicContact CG1-CG 4.46Å; V575-L579 WeakPolarHBondContact O-CG 3.49Å; V575-L579 PolarHBondContact O-N 2.86Å; K576-L579 PolarHBondContact O-N 2.99Å; L579-Q581 PolarHBondContact O-N 3.34Å; L579-N582 PolarHBondContact O-N 3.31Å; L579-K583 PolarHBondContact O-N 3.24Å
580	Y	98.3	Very high	98	Very high	141 Å²	141	44.3 Å²	44.3	55%	0.553	21%	0.206	S	C	*	.	H	α-helix	trans	-62.8	-42.6	-178.1	-178.6	-93.6	0	0	0	112.9	L412 K576 N577 N582	L412-Y580 HydrophobicContact CD1-CD2 3.75Å; L412-Y580 HydrophobicContact CD1-CG 4.42Å; K576-Y580 WeakPolarHBondContact O-CB 3.26Å; K576-Y580 PolarHBondContact O-N 2.71Å; N577-Y580 PolarHBondContact O-N 3.04Å; Y580-N582 VanDerWaalsContact C-N 3.33Å
581	Q	98	Very high	98	Very high	89 Å²	89	44.9 Å²	44.9	42%	0.416	21%	0.208	S	C	.	.	H	α-helix	trans	-71.8	-28.4	-178.7	-71.6	174.9	-7.2	0	0	112.9	N577 L579 K585	N577-Q581 WeakPolarHBondContact O-CB 3.37Å; N577-Q581 WeakPolarHBondContact O-CG 3.09Å; N577-Q581 PolarHBondContact O-N 3.39Å; L579-Q581 PolarHBondContact O-N 3.34Å; Q581-K585 PolarHBondContact O-NZ 3.39Å
582	N	98.1	Very high	98	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.102	21%	0.208	C	C	.	.	H	α-helix	trans	-111.6	5.7	-171.4	-61	-55.5	0	0	0	114.7	V477 Y578 L579 Y580 Y584 K585 T587	V477-N582 HydrophobicContact CG1-CB 3.81Å; V477-N582 HydrophobicContact CG2-CB 4.04Å; Y578-N582 VanDerWaalsContact CD2-ND2 3.35Å; Y578-N582 WeakPolarHBondContact CD2-ND2 3.5Å; Y578-N582 WeakPolarHBondContact O-CB 3.45Å; Y578-N582 PolarHBondContact O-N 3.42Å; Y578-N582 PolarHBondContact O-ND2 2.89Å; L579-N582 PolarHBondContact O-N 3.31Å; Y580-N582 VanDerWaalsContact C-N 3.33Å; N582-Y584 PolarHBondContact O-N 3.49Å; N582-K585 WeakPolarHBondContact O-CA 3.18Å; N582-K585 VanDerWaalsContact O-CB 3.28Å; N582-K585 WeakPolarHBondContact O-CB 3.44Å; N582-K585 PolarHBondContact O-N 2.93Å; N582-T587 HydrophobicContact CB-CG2 3.43Å; N582-T587 VanDerWaalsContact CB-CG2 3.43Å; N582-T587 VanDerWaalsContact CG-CG2 3.43Å
583	K	96.8	Very high	98.1	Very high	88 Å²	88	41.6 Å²	41.6	38%	0.383	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	133.3	176.4	68.2	-175.9	-176.9	-176.4	0	112.2	L476 L579 K585	L476-K583 HydrophobicContact CD1-CB 3.94Å; L476-K583 HydrophobicContact CD2-CB 4.16Å; L476-K583 HydrophobicContact CG-CB 3.92Å; L579-K583 PolarHBondContact O-N 3.24Å; K583-K585 PolarHBondContact O-N 2.94Å
584	Y	96.6	Very high	98.1	Very high	87 Å²	87	45.3 Å²	45.3	34%	0.341	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	14.4	-174.4	-49.3	-71.5	0	0	0	115.6	V353 P415 W435 L476 N582	V353-Y584 HydrophobicContact CB-CD1 4.46Å; V353-Y584 HydrophobicContact CB-CE1 3.92Å; V353-Y584 HydrophobicContact CG1-CE1 4.21Å; V353-Y584 HydrophobicContact CG2-CE1 4.29Å; P415-Y584 VanDerWaalsContact CB-OH 3.22Å; P415-Y584 WeakPolarHBondContact CB-OH 3.24Å; W435-Y584 HydrophobicContact CH2-CD1 4.18Å; W435-Y584 HydrophobicContact CH2-CE1 4.01Å; L476-Y584 HydrophobicContact CD1-CD1 3.81Å; L476-Y584 HydrophobicContact CD1-CD2 4.26Å; L476-Y584 HydrophobicContact CD1-CE1 3.51Å; L476-Y584 HydrophobicContact CD1-CE2 4.01Å; L476-Y584 HydrophobicContact CD1-CG 4.17Å; L476-Y584 WeakPolarHBondContact O-CA 3.3Å; L476-Y584 PolarHBondContact O-N 2.85Å; N582-Y584 PolarHBondContact O-N 3.49Å
585	K	97	Very high	98.1	Very high	118 Å²	118	45.3 Å²	45.3	51%	0.513	20%	0.202	S	C	.	.	S	Bend	trans	-112.5	171.1	176.8	-56.8	179.9	-173.8	162.8	0	111.1	T478 Q581 N582 K583	T478-K585 PolarHBondContact N-O 2.92Å; T478-K585 VanDerWaalsContact N-O 3.17Å; Q581-K585 PolarHBondContact O-NZ 3.39Å; N582-K585 WeakPolarHBondContact O-CA 3.18Å; N582-K585 VanDerWaalsContact O-CB 3.28Å; N582-K585 WeakPolarHBondContact O-CB 3.44Å; N582-K585 PolarHBondContact O-N 2.93Å; K583-K585 PolarHBondContact O-N 2.94Å
586	N	97.7	Very high	98.1	Very high	35 Å²	35	45.1 Å²	45.1	19%	0.187	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	148.7	166.6	-63.3	88.9	0	0	0	109.8	P310 G311 T478 L479 N480	P310-N586 PolarHBondContact O-ND2 3.36Å; G311-N586 PolarHBondContact O-OD1 3.22Å; T478-N586 CarbonylContact O-C 3.53Å; T478-N586 WeakPolarHBondContact O-CA 3.34Å; L479-N586 PolarHBondContact O-ND2 2.92Å; N480-N586 HydrophobicContact CB-CB 4.12Å
587	T	98.2	Very high	98.1	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	162.9	-176.9	58.5	0	0	0	0	111.9	V477 T478 L479 N480 Y578 N582 D591	V477-T587 HydrophobicContact CG1-CG2 3.51Å; T478-T587 PolarHBondContact O-N 3.42Å; T478-T587 PolarHBondContact O-OG1 2.79Å; L479-T587 CarbonylContact C-O 3.57Å; L479-T587 WeakPolarHBondContact CA-O 3.07Å; N480-T587 WeakPolarHBondContact CB-O 3.44Å; N480-T587 PolarHBondContact N-O 2.96Å; Y578-T587 HydrophobicContact CE2-CG2 3.92Å; Y578-T587 PolarHBondContact OH-OG1 3.49Å; N582-T587 HydrophobicContact CB-CG2 3.43Å; N582-T587 VanDerWaalsContact CB-CG2 3.43Å; N582-T587 VanDerWaalsContact CG-CG2 3.43Å; T587-D591 WeakPolarHBondContact CA-OD2 3.07Å; T587-D591 WeakPolarHBondContact CB-OD2 3.29Å; T587-D591 HydrophobicContact CG2-CB 4.43Å
588	V	97.5	Very high	98.1	Very high	48 Å²	48	44.6 Å²	44.6	29%	0.291	20%	0.199	S	C	.	.			trans	-117.8	163.8	168.3	-63.9	0	0	0	0	109.8	N480 D484 E590 D591	N480-V588 HydrophobicContact CB-CG1 4Å; D484-V588 WeakPolarHBondContact OD2-CA 3.28Å; V588-E590 HydrophobicContact CG2-CB 4.19Å; V588-E590 PolarHBondContact O-N 3.27Å; V588-E590 VanDerWaalsContact O-N 3.09Å; V588-D591 PolarHBondContact N-OD2 3.21Å; V588-D591 WeakPolarHBondContact O-CB 3.42Å; V588-D591 PolarHBondContact O-N 3.34Å
589	H	97.8	Very high	98.1	Very high	13 Å²	13	44.6 Å²	44.6	6%	0.06	20%	0.2	C	C	.	.	H	α-helix	trans	-53.6	-32	-179.6	51.4	-82.8	0	0	0	114	D484 W486 I534 D591 L592 W593 K618	D484-H589 WeakPolarHBondContact OD1-CB 3.45Å; D484-H589 IonicContact OD1-CE1 3.69Å; D484-H589 IonicContact OD1-CG 3.83Å; D484-H589 IonicContact OD1-ND1 2.83Å; D484-H589 PolarHBondContact OD1-ND1 3.45Å; D484-H589 IonicContact OD2-CE1 2.68Å; D484-H589 IonicContact OD2-CG 3.22Å; D484-H589 PolarHBondContact OD2-N 2.97Å; D484-H589 IonicContact OD2-ND1 3.97Å; D484-H589 PolarHBondContact OD2-ND1 3.27Å; W486-H589 HydrophobicContact CZ2-CB 3.74Å; I534-H589 HydrophobicContact CD1-CB 4.05Å; H589-D591 PolarHBondContact O-N 2.8Å; H589-L592 PolarHBondContact O-N 3.35Å; H589-W593 HydrophobicContact CB-CZ2 4.38Å; H589-W593 AromaticContact CD2-NE1 3.56Å; H589-W593 VanDerWaalsContact O-CG 3.28Å; H589-W593 PolarHBondContact O-N 3.13Å; H589-K618 WeakPolarHBondContact NE2-CE 3.46Å; H589-K618 PolarHBondContact NE2-NZ 2.53Å
590	E	98.1	Very high	98	Very high	57 Å²	57	44.6 Å²	44.6	27%	0.266	20%	0.2	S	C	.	.	H	α-helix	trans	-59.5	-29.1	175	-75.3	80.2	-173.9	0	0	114.2	V588 W593 R594 K618	V588-E590 HydrophobicContact CG2-CB 4.19Å; V588-E590 PolarHBondContact O-N 3.27Å; V588-E590 VanDerWaalsContact O-N 3.09Å; E590-W593 PolarHBondContact O-N 2.94Å; E590-R594 WeakPolarHBondContact O-CB 3.3Å; E590-R594 PolarHBondContact O-N 3.5Å; E590-K618 IonicContact OE1-NZ 2.67Å; E590-K618 PolarHBondContact OE1-NZ 2.7Å
591	D	98.5	Very high	97.9	Very high	30 Å²	30	44.3 Å²	44.3	16%	0.16	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-41.8	177.6	-61.6	-43.7	0	0	0	111.1	Y578 T587 V588 H589 R594 A595	Y578-D591 HydrophobicContact CD2-CB 4.28Å; Y578-D591 HydrophobicContact CE2-CB 3.99Å; T587-D591 WeakPolarHBondContact CA-OD2 3.07Å; T587-D591 WeakPolarHBondContact CB-OD2 3.29Å; T587-D591 HydrophobicContact CG2-CB 4.43Å; V588-D591 PolarHBondContact N-OD2 3.21Å; V588-D591 WeakPolarHBondContact O-CB 3.42Å; V588-D591 PolarHBondContact O-N 3.34Å; H589-D591 PolarHBondContact O-N 2.8Å; D591-R594 IonicContact OD1-CZ 3.5Å; D591-R594 IonicContact OD1-NH1 3.3Å; D591-R594 IonicContact OD1-NH2 2.81Å; D591-R594 PolarHBondContact OD1-NH2 3.46Å; D591-A595 PolarHBondContact O-N 2.86Å
592	L	98.6	Very high	97.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.1	-45.4	173.9	178.4	69.2	0	0	0	111.2	W486 L487 F491 Y578 H589 R594 A595 L596	W486-L592 HydrophobicContact CH2-CD2 3.7Å; W486-L592 HydrophobicContact CZ3-CD2 4.35Å; L487-L592 HydrophobicContact CD2-CD2 4.01Å; F491-L592 HydrophobicContact CE2-CD1 4.32Å; F491-L592 HydrophobicContact CE2-CD2 3.6Å; F491-L592 HydrophobicContact CZ-CD1 3.85Å; F491-L592 HydrophobicContact CZ-CD2 3.79Å; F491-L592 HydrophobicContact CZ-CG 4.47Å; Y578-L592 HydrophobicContact CD1-CD1 3.98Å; Y578-L592 HydrophobicContact CD2-CB 4.12Å; Y578-L592 HydrophobicContact CD2-CD1 4.35Å; Y578-L592 HydrophobicContact CE1-CD1 4.44Å; Y578-L592 HydrophobicContact CE2-CB 4.11Å; Y578-L592 HydrophobicContact CG-CD1 3.92Å; H589-L592 PolarHBondContact O-N 3.35Å; L592-R594 VanDerWaalsContact C-N 3.25Å; L592-R594 PolarHBondContact O-N 3.49Å; L592-A595 PolarHBondContact O-N 3.01Å; L592-A595 VanDerWaalsContact O-N 3.16Å; L592-L596 HydrophobicContact CD1-CD1 4.02Å; L592-L596 HydrophobicContact CD1-CG 4.04Å; L592-L596 HydrophobicContact CD2-CD1 4.33Å; L592-L596 HydrophobicContact CG-CD1 3.86Å; L592-L596 HydrophobicContact CG-CG 4.24Å; L592-L596 WeakPolarHBondContact O-CG 3.42Å; L592-L596 PolarHBondContact O-N 3.3Å
593	W	98.4	Very high	97.7	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-56.8	-40.6	178.1	-59.5	154	0	0	0	112.6	W486 M562 H589 E590 L596 T597 V609 K610 M613 M617	W486-W593 AromaticContact CH2-CH2 3.38Å; W486-W593 HydrophobicContact CH2-CH2 3.38Å; W486-W593 AromaticContact CH2-CZ2 3.92Å; W486-W593 HydrophobicContact CH2-CZ2 3.92Å; W486-W593 HydrophobicContact CH2-CZ3 4.03Å; W486-W593 AromaticContact CZ2-CH2 3.79Å; W486-W593 HydrophobicContact CZ2-CH2 3.79Å; W486-W593 AromaticContact CZ2-CZ2 3.81Å; W486-W593 HydrophobicContact CZ2-CZ2 3.81Å; W486-W593 HydrophobicContact CZ3-CH2 4.39Å; M562-W593 HydrophobicContact CE-CH2 4.15Å; M562-W593 HydrophobicContact CE-CZ3 3.74Å; M562-W593 HydrophobicContact SD-CE3 4.31Å; M562-W593 HydrophobicContact SD-CH2 4.25Å; M562-W593 HydrophobicContact SD-CZ3 3.51Å; M562-W593 VanDerWaalsContact SD-CZ3 3.51Å; H589-W593 HydrophobicContact CB-CZ2 4.38Å; H589-W593 AromaticContact CD2-NE1 3.56Å; H589-W593 VanDerWaalsContact O-CG 3.28Å; H589-W593 PolarHBondContact O-N 3.13Å; E590-W593 PolarHBondContact O-N 2.94Å; W593-L596 HydrophobicContact CE3-CD1 4.27Å; W593-L596 HydrophobicContact CZ3-CD1 4.32Å; W593-T597 WeakPolarHBondContact O-CB 3.23Å; W593-T597 PolarHBondContact O-N 2.8Å; W593-T597 PolarHBondContact O-OG1 2.87Å; W593-V609 HydrophobicContact CD2-CG1 4.25Å; W593-V609 HydrophobicContact CE3-CG1 3.55Å; W593-V609 HydrophobicContact CZ3-CG1 4.09Å; W593-K610 HydrophobicContact CB-CB 3.95Å; W593-K610 HydrophobicContact CG-CB 4.18Å; W593-M613 HydrophobicContact CD2-CB 4.29Å; W593-M613 HydrophobicContact CE3-CB 4.31Å; W593-M613 HydrophobicContact CE3-CG 4.21Å; W593-M613 HydrophobicContact CH2-CB 3.57Å; W593-M613 HydrophobicContact CH2-CG 3.72Å; W593-M613 HydrophobicContact CZ2-CB 3.54Å; W593-M613 HydrophobicContact CZ2-CG 4.21Å; W593-M613 HydrophobicContact CZ3-CB 3.98Å; W593-M613 HydrophobicContact CZ3-CG 3.74Å; W593-M617 HydrophobicContact CH2-CE 4.49Å; W593-M617 HydrophobicContact CH2-CG 4.41Å; W593-M617 HydrophobicContact CZ2-CG 4.11Å
594	R	98.5	Very high	97.5	Very high	116 Å²	116	50.6 Å²	50.6	44%	0.438	25%	0.249	S	C	.	.	H	α-helix	trans	-63.9	-49.5	176.3	-179	168	56	-104.9	-0.6	111.2	E590 D591 L592 L596 T597 E598	E590-R594 WeakPolarHBondContact O-CB 3.3Å; E590-R594 PolarHBondContact O-N 3.5Å; D591-R594 IonicContact OD1-CZ 3.5Å; D591-R594 IonicContact OD1-NH1 3.3Å; D591-R594 IonicContact OD1-NH2 2.81Å; D591-R594 PolarHBondContact OD1-NH2 3.46Å; L592-R594 VanDerWaalsContact C-N 3.25Å; L592-R594 PolarHBondContact O-N 3.49Å; R594-L596 PolarHBondContact O-N 3.08Å; R594-T597 PolarHBondContact O-N 2.89Å; R594-E598 WeakPolarHBondContact CG-OE1 3.43Å; R594-E598 WeakPolarHBondContact O-CB 3.4Å; R594-E598 WeakPolarHBondContact O-CG 3.44Å; R594-E598 PolarHBondContact O-N 3.1Å
595	A	98.6	Very high	97.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-43.2	-180	0	0	0	0	0	112.9	D591 L592 E598 A599	D591-A595 PolarHBondContact O-N 2.86Å; L592-A595 PolarHBondContact O-N 3.01Å; L592-A595 VanDerWaalsContact O-N 3.16Å; A595-E598 PolarHBondContact O-N 2.84Å; A595-A599 WeakPolarHBondContact O-CB 3.35Å; A595-A599 PolarHBondContact O-N 3.47Å
596	L	98.7	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.8	-41.5	176.9	-67.9	177.8	0	0	0	111.9	M562 M566 F571 V575 L592 W593 R594 E598 A599 A600 V609	M562-L596 HydrophobicContact CE-CD1 4.37Å; M562-L596 HydrophobicContact SD-CD1 3.72Å; M566-L596 HydrophobicContact CE-CB 3.9Å; M566-L596 HydrophobicContact CE-CD2 3.98Å; M566-L596 WeakPolarHBondContact CE-O 3.47Å; M566-L596 HydrophobicContact SD-CB 4.12Å; M566-L596 HydrophobicContact SD-CD2 4.25Å; F571-L596 HydrophobicContact CD2-CD2 3.82Å; F571-L596 HydrophobicContact CE2-CD1 4.25Å; F571-L596 HydrophobicContact CE2-CD2 4.05Å; V575-L596 HydrophobicContact CG2-CD2 4.19Å; L592-L596 HydrophobicContact CD1-CD1 4.02Å; L592-L596 HydrophobicContact CD1-CG 4.04Å; L592-L596 HydrophobicContact CD2-CD1 4.33Å; L592-L596 HydrophobicContact CG-CD1 3.86Å; L592-L596 HydrophobicContact CG-CG 4.24Å; L592-L596 WeakPolarHBondContact O-CG 3.42Å; L592-L596 PolarHBondContact O-N 3.3Å; W593-L596 HydrophobicContact CE3-CD1 4.27Å; W593-L596 HydrophobicContact CZ3-CD1 4.32Å; R594-L596 PolarHBondContact O-N 3.08Å; L596-E598 PolarHBondContact O-N 2.99Å; L596-A599 PolarHBondContact O-N 2.89Å; L596-A600 PolarHBondContact O-N 2.88Å; L596-V609 HydrophobicContact CB-CB 4.33Å; L596-V609 HydrophobicContact CB-CG1 4.19Å; L596-V609 HydrophobicContact CB-CG2 3.88Å; L596-V609 HydrophobicContact CD1-CG1 4.19Å
597	T	98.6	Very high	96.6	Very high	15 Å²	15	50.2 Å²	50.2	9%	0.092	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-42.4	175.8	-61.2	0	0	0	0	111.4	W593 R594 A600 K601 V609	W593-T597 WeakPolarHBondContact O-CB 3.23Å; W593-T597 PolarHBondContact O-N 2.8Å; W593-T597 PolarHBondContact O-OG1 2.87Å; R594-T597 PolarHBondContact O-N 2.89Å; T597-A600 PolarHBondContact O-N 3.34Å; T597-K601 HydrophobicContact CG2-CD 4.36Å; T597-K601 WeakPolarHBondContact O-CG 3.5Å; T597-K601 PolarHBondContact O-N 3.11Å; T597-V609 WeakPolarHBondContact OG1-CB 3.43Å; T597-V609 PolarHBondContact OG1-N 2.97Å; T597-V609 VanDerWaalsContact OG1-N 3.09Å
598	E	98.2	Very high	96.5	Very high	72 Å²	72	54.3 Å²	54.3	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-64.2	-41.3	176.2	-74.8	176.1	-165.5	0	0	112	R594 A595 L596 K601 R602	R594-E598 WeakPolarHBondContact CG-OE1 3.43Å; R594-E598 WeakPolarHBondContact O-CB 3.4Å; R594-E598 WeakPolarHBondContact O-CG 3.44Å; R594-E598 PolarHBondContact O-N 3.1Å; A595-E598 PolarHBondContact O-N 2.84Å; L596-E598 PolarHBondContact O-N 2.99Å; E598-K601 PolarHBondContact O-N 3.1Å; E598-R602 WeakPolarHBondContact O-CG 3.46Å; E598-R602 PolarHBondContact O-N 3.02Å; E598-R602 VanDerWaalsContact O-N 3.14Å
599	A	98.2	Very high	96.5	Very high	4 Å²	4	52 Å²	52	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-43.5	176	0	0	0	0	0	112	T570 A595 L596 K601 R602	T570-A599 HydrophobicContact CG2-CB 4.21Å; T570-A599 WeakPolarHBondContact CG2-O 3.08Å; T570-A599 WeakPolarHBondContact O-CB 3.29Å; A595-A599 WeakPolarHBondContact O-CB 3.35Å; A595-A599 PolarHBondContact O-N 3.47Å; L596-A599 PolarHBondContact O-N 2.89Å; A599-K601 PolarHBondContact O-N 3.05Å; A599-R602 PolarHBondContact O-N 3.3Å
600	A	97.3	Very high	96.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-47.5	175.2	0	0	0	0	0	112.1	M566 L596 T597 R602 V603 G604 K605 V607	M566-A600 HydrophobicContact CE-CB 4.24Å; L596-A600 PolarHBondContact O-N 2.88Å; T597-A600 PolarHBondContact O-N 3.34Å; A600-R602 VanDerWaalsContact C-N 3.29Å; A600-R602 PolarHBondContact O-N 3.31Å; A600-V603 WeakPolarHBondContact O-CG2 3.29Å; A600-V603 PolarHBondContact O-N 3.28Å; A600-G604 PolarHBondContact O-N 2.99Å; A600-K605 CarbonylContact C-O 3.28Å; A600-K605 HydrophobicContact CB-CB 4.13Å; A600-K605 PolarHBondContact O-N 3.16Å; A600-V607 HydrophobicContact CB-CG1 3.57Å
601	K	96.9	Very high	96.5	Very high	134 Å²	134	54 Å²	54	58%	0.583	28%	0.277	S	S	*	.	H	α-helix	trans	-59	-37.3	178.3	-74.2	177.2	179.6	-177.8	0	113	T597 E598 A599 V603 G604	T597-K601 HydrophobicContact CG2-CD 4.36Å; T597-K601 WeakPolarHBondContact O-CG 3.5Å; T597-K601 PolarHBondContact O-N 3.11Å; E598-K601 PolarHBondContact O-N 3.1Å; A599-K601 PolarHBondContact O-N 3.05Å; K601-V603 PolarHBondContact O-N 3.29Å; K601-G604 PolarHBondContact O-N 2.68Å
602	R	96.4	Very high	96.5	Very high	175 Å²	175	52.9 Å²	52.9	66%	0.66	27%	0.271	S	S	*	.	H	α-helix	trans	-62.8	-26.9	179.9	-74.3	177.2	-170.5	-157.7	5.6	113.7	E598 A599 A600	E598-R602 WeakPolarHBondContact O-CG 3.46Å; E598-R602 PolarHBondContact O-N 3.02Å; E598-R602 VanDerWaalsContact O-N 3.14Å; A599-R602 PolarHBondContact O-N 3.3Å; A600-R602 VanDerWaalsContact C-N 3.29Å; A600-R602 PolarHBondContact O-N 3.31Å
603	V	95.3	Very high	96.5	Very high	84 Å²	84	52.9 Å²	52.9	51%	0.509	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	14.1	176.5	-59.9	0	0	0	0	112.6	T570 A600 K601 K605	T570-V603 HydrophobicContact CG2-CG2 3.71Å; T570-V603 WeakPolarHBondContact OG1-CG2 3.18Å; A600-V603 WeakPolarHBondContact O-CG2 3.29Å; A600-V603 PolarHBondContact O-N 3.28Å; K601-V603 PolarHBondContact O-N 3.29Å; V603-K605 VanDerWaalsContact C-N 3.3Å; V603-K605 HydrophobicContact CG2-CB 4.33Å; V603-K605 HydrophobicContact CG2-CD 4.34Å; V603-K605 HydrophobicContact CG2-CG 4.06Å; V603-K605 PolarHBondContact O-N 2.98Å
604	G	92.9	Very high	96.4	Very high	70 Å²	70	53.4 Å²	53.4	72%	0.722	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	12.1	178.9	0	0	0	0	0	115	A600 K601	A600-G604 PolarHBondContact O-N 2.99Å; K601-G604 PolarHBondContact O-N 2.68Å
605	K	91.4	Very high	96.4	Very high	62 Å²	62	48.1 Å²	48.1	27%	0.27	26%	0.255	S	S	.	.			trans	-83	115.3	173.6	-73.3	-171.3	170.1	-168.4	0	110.1	F565 M566 A600 V603 V607	F565-K605 PolarHBondContact O-NZ 3.13Å; M566-K605 WeakPolarHBondContact O-CE 3.01Å; M566-K605 PolarHBondContact O-NZ 3.13Å; A600-K605 CarbonylContact C-O 3.28Å; A600-K605 HydrophobicContact CB-CB 4.13Å; A600-K605 PolarHBondContact O-N 3.16Å; V603-K605 VanDerWaalsContact C-N 3.3Å; V603-K605 HydrophobicContact CG2-CB 4.33Å; V603-K605 HydrophobicContact CG2-CD 4.34Å; V603-K605 HydrophobicContact CG2-CG 4.06Å; V603-K605 PolarHBondContact O-N 2.98Å; K605-V607 PolarHBondContact O-N 2.97Å; K605-V607 VanDerWaalsContact O-N 3.12Å
606	D	88	Confident	96.4	Very high	159 Å²	159	48.1 Å²	48.1	85%	0.85	25%	0.254	S	S	*	.			trans	-84.4	75.9	176.2	-171.3	25.5	0	0	0	111.3
607	V	92.8	Very high	96.3	Very high	11 Å²	11	48.1 Å²	48.1	7%	0.067	25%	0.254	C	S	.	.			trans	-129	125.2	173.8	61	0	0	0	0	110.4	F565 A600 K605 V612 W682	F565-V607 HydrophobicContact CD2-CG2 4.44Å; F565-V607 HydrophobicContact CE2-CG1 4.21Å; F565-V607 HydrophobicContact CE2-CG2 3.9Å; A600-V607 HydrophobicContact CB-CG1 3.57Å; K605-V607 PolarHBondContact O-N 2.97Å; K605-V607 VanDerWaalsContact O-N 3.12Å; V607-V612 HydrophobicContact CG2-CG2 4.08Å; V607-W682 HydrophobicContact CB-CZ2 4.4Å; V607-W682 HydrophobicContact CG2-CH2 4.03Å; V607-W682 HydrophobicContact CG2-CZ2 3.73Å
608	N	96	Very high	96.2	Very high	88 Å²	88	49.9 Å²	49.9	47%	0.471	26%	0.261	S	S	.	.			trans	-90.3	100.6	168.8	-178.4	-29.7	0	0	0	108.6	K610 A611 V612	N608-K610 VanDerWaalsContact C-N 3.3Å; N608-K610 PolarHBondContact O-N 2.78Å; N608-K610 WeakPolarHBondContact OD1-CB 3.2Å; N608-K610 PolarHBondContact OD1-N 3.5Å; N608-A611 HydrophobicContact CB-CB 3.88Å; N608-A611 PolarHBondContact O-N 2.77Å; N608-A611 VanDerWaalsContact O-N 3.09Å; N608-A611 PolarHBondContact OD1-N 3.27Å; N608-V612 PolarHBondContact O-N 2.73Å
609	V	98	Very high	96	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-41	-173.8	178.1	0	0	0	0	111.1	M562 M566 W593 L596 T597 A611 V612 M613	M562-V609 HydrophobicContact SD-CG1 3.85Å; M566-V609 HydrophobicContact SD-CG2 4.15Å; W593-V609 HydrophobicContact CD2-CG1 4.25Å; W593-V609 HydrophobicContact CE3-CG1 3.55Å; W593-V609 HydrophobicContact CZ3-CG1 4.09Å; L596-V609 HydrophobicContact CB-CB 4.33Å; L596-V609 HydrophobicContact CB-CG1 4.19Å; L596-V609 HydrophobicContact CB-CG2 3.88Å; L596-V609 HydrophobicContact CD1-CG1 4.19Å; T597-V609 WeakPolarHBondContact OG1-CB 3.43Å; T597-V609 PolarHBondContact OG1-N 2.97Å; T597-V609 VanDerWaalsContact OG1-N 3.09Å; V609-A611 VanDerWaalsContact C-N 3.33Å; V609-A611 PolarHBondContact O-N 3.25Å; V609-V612 PolarHBondContact O-N 3.49Å; V609-M613 HydrophobicContact CG1-CG 3.75Å; V609-M613 WeakPolarHBondContact O-CB 3.34Å; V609-M613 WeakPolarHBondContact O-CG 3.38Å; V609-M613 PolarHBondContact O-N 3.19Å
610	K	98	Very high	95.8	Very high	81 Å²	81	47.8 Å²	47.8	35%	0.352	25%	0.25	S	S	.	.	H	α-helix	trans	-57	-48.2	175.6	-175.9	179.6	-169.5	-58.5	0	111.2	W593 N608 V612 M613 D614	W593-K610 HydrophobicContact CB-CB 3.95Å; W593-K610 HydrophobicContact CG-CB 4.18Å; N608-K610 VanDerWaalsContact C-N 3.3Å; N608-K610 PolarHBondContact O-N 2.78Å; N608-K610 WeakPolarHBondContact OD1-CB 3.2Å; N608-K610 PolarHBondContact OD1-N 3.5Å; K610-V612 PolarHBondContact O-N 3.17Å; K610-M613 PolarHBondContact O-N 3.18Å; K610-D614 WeakPolarHBondContact CG-OD2 3.46Å; K610-D614 IonicContact NZ-OD1 3.6Å; K610-D614 IonicContact NZ-OD2 2.65Å; K610-D614 PolarHBondContact NZ-OD2 2.92Å; K610-D614 VanDerWaalsContact O-CB 3.23Å; K610-D614 WeakPolarHBondContact O-CB 3.45Å; K610-D614 VanDerWaalsContact O-CG 3.3Å; K610-D614 PolarHBondContact O-N 3.49Å
611	A	97.2	Very high	95.6	Very high	31 Å²	31	47.8 Å²	47.8	26%	0.256	25%	0.25	S	S	.	.	H	α-helix	trans	-64.5	-25	-176.5	0	0	0	0	0	113	N608 V609 K662	N608-A611 HydrophobicContact CB-CB 3.88Å; N608-A611 PolarHBondContact O-N 2.77Å; N608-A611 VanDerWaalsContact O-N 3.09Å; N608-A611 PolarHBondContact OD1-N 3.27Å; V609-A611 VanDerWaalsContact C-N 3.33Å; V609-A611 PolarHBondContact O-N 3.25Å; A611-K662 VanDerWaalsContact O-CD 3.3Å; A611-K662 WeakPolarHBondContact O-CD 3.36Å; A611-K662 WeakPolarHBondContact O-CE 3.3Å; A611-K662 PolarHBondContact O-NZ 3.44Å
612	V	98.1	Very high	95.7	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.036	22%	0.223	C	C	.	.	H	α-helix	trans	-86.7	-56.6	174.4	-173.1	0	0	0	0	110.1	V607 N608 V609 K610 D614 T615 W616 K662 W682	V607-V612 HydrophobicContact CG2-CG2 4.08Å; N608-V612 PolarHBondContact O-N 2.73Å; V609-V612 PolarHBondContact O-N 3.49Å; K610-V612 PolarHBondContact O-N 3.17Å; V612-D614 PolarHBondContact O-N 2.95Å; V612-T615 WeakPolarHBondContact O-CB 3.34Å; V612-T615 PolarHBondContact O-N 2.87Å; V612-T615 PolarHBondContact O-OG1 2.86Å; V612-W616 VanDerWaalsContact O-CD1 3.24Å; V612-K662 HydrophobicContact CB-CB 4.48Å; V612-K662 HydrophobicContact CG1-CB 4.02Å; V612-K662 WeakPolarHBondContact CG1-O 3.44Å; V612-K662 HydrophobicContact CG2-CB 4.41Å; V612-K662 HydrophobicContact CG2-CD 4.4Å; V612-W682 HydrophobicContact CB-CZ3 4.47Å; V612-W682 HydrophobicContact CG1-CH2 4.04Å; V612-W682 HydrophobicContact CG1-CZ3 3.69Å; V612-W682 HydrophobicContact CG2-CH2 3.91Å; V612-W682 HydrophobicContact CG2-CZ3 3.83Å
613	M	98	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.5	-27	-171.1	-66.6	-53.6	108.6	0	0	114	M561 M562 F565 W593 V609 K610 T615 W616 M617	M561-M613 HydrophobicContact CE-CE 4.04Å; M561-M613 HydrophobicContact CE-SD 4.35Å; M562-M613 HydrophobicContact CE-SD 4.33Å; M562-M613 HydrophobicContact CG-CE 3.95Å; M562-M613 HydrophobicContact CG-CG 4.14Å; M562-M613 HydrophobicContact CG-SD 3.59Å; M562-M613 VanDerWaalsContact CG-SD 3.59Å; M562-M613 HydrophobicContact SD-CG 3.51Å; M562-M613 VanDerWaalsContact SD-CG 3.51Å; M562-M613 HydrophobicContact SD-SD 3.66Å; M562-M613 VanDerWaalsContact SD-SD 3.66Å; F565-M613 HydrophobicContact CE1-CE 3.72Å; F565-M613 HydrophobicContact CZ-CE 3.96Å; W593-M613 HydrophobicContact CD2-CB 4.29Å; W593-M613 HydrophobicContact CE3-CB 4.31Å; W593-M613 HydrophobicContact CE3-CG 4.21Å; W593-M613 HydrophobicContact CH2-CB 3.57Å; W593-M613 HydrophobicContact CH2-CG 3.72Å; W593-M613 HydrophobicContact CZ2-CB 3.54Å; W593-M613 HydrophobicContact CZ2-CG 4.21Å; W593-M613 HydrophobicContact CZ3-CB 3.98Å; W593-M613 HydrophobicContact CZ3-CG 3.74Å; V609-M613 HydrophobicContact CG1-CG 3.75Å; V609-M613 WeakPolarHBondContact O-CB 3.34Å; V609-M613 WeakPolarHBondContact O-CG 3.38Å; V609-M613 PolarHBondContact O-N 3.19Å; K610-M613 PolarHBondContact O-N 3.18Å; M613-T615 PolarHBondContact O-N 2.71Å; M613-W616 WeakPolarHBondContact O-CA 3.3Å; M613-W616 PolarHBondContact O-N 2.83Å; M613-M617 HydrophobicContact CB-CG 4.44Å; M613-M617 WeakPolarHBondContact O-CB 3.44Å; M613-M617 VanDerWaalsContact O-CG 3.27Å; M613-M617 WeakPolarHBondContact O-CG 3.2Å; M613-M617 PolarHBondContact O-N 2.98Å
614	D	98	Very high	95.8	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.064	17%	0.167	C	C	.	.	H	α-helix	trans	-56.1	-36.6	170.7	-84.9	-12.1	0	0	0	111	K610 V612 W616 K618 Y657	K610-D614 WeakPolarHBondContact CG-OD2 3.46Å; K610-D614 IonicContact NZ-OD1 3.6Å; K610-D614 IonicContact NZ-OD2 2.65Å; K610-D614 PolarHBondContact NZ-OD2 2.92Å; K610-D614 VanDerWaalsContact O-CB 3.23Å; K610-D614 WeakPolarHBondContact O-CB 3.45Å; K610-D614 VanDerWaalsContact O-CG 3.3Å; K610-D614 PolarHBondContact O-N 3.49Å; V612-D614 PolarHBondContact O-N 2.95Å; D614-W616 VanDerWaalsContact C-N 3.26Å; D614-W616 PolarHBondContact O-N 3.23Å; D614-K618 HydrophobicContact CB-CD 4.42Å; D614-K618 WeakPolarHBondContact O-CB 3.29Å; D614-K618 PolarHBondContact O-N 3.01Å; D614-K618 VanDerWaalsContact O-N 3.1Å; D614-K618 WeakPolarHBondContact OD1-CE 3.28Å; D614-K618 IonicContact OD1-NZ 2.86Å; D614-K618 PolarHBondContact OD1-NZ 2.98Å; D614-Y657 WeakPolarHBondContact CB-OH 3.5Å; D614-Y657 WeakPolarHBondContact O-CE2 3.36Å
615	T	97.9	Very high	96.1	Very high	6 Å²	6	25.8 Å²	25.8	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-71.3	-19.3	175.8	73.4	0	0	0	0	113	V612 M613 Q619 Y657 W661 K662	V612-T615 WeakPolarHBondContact O-CB 3.34Å; V612-T615 PolarHBondContact O-N 2.87Å; V612-T615 PolarHBondContact O-OG1 2.86Å; M613-T615 PolarHBondContact O-N 2.71Å; T615-Q619 WeakPolarHBondContact O-CG 3.46Å; T615-Q619 PolarHBondContact O-NE2 3.44Å; T615-Y657 HydrophobicContact CG2-CD1 4Å; T615-Y657 HydrophobicContact CG2-CE1 4.31Å; T615-Y657 HydrophobicContact CG2-CG 4.23Å; T615-W661 PolarHBondContact O-NE1 3.3Å; T615-K662 HydrophobicContact CG2-CG 4.39Å; T615-K662 PolarHBondContact OG1-N 2.78Å
616	W	98.3	Very high	96.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-95.5	-29.6	179.2	-67.9	98.8	0	0	0	113	K554 V558 M561 V612 M613 D614 P623 W661 K662 I663 F709 Y710	K554-W616 WeakPolarHBondContact CE-O 3.47Å; V558-W616 HydrophobicContact CG1-CB 4.2Å; M561-W616 HydrophobicContact CE-CD2 3.71Å; M561-W616 HydrophobicContact CE-CE3 4.27Å; M561-W616 HydrophobicContact CE-CG 3.92Å; M561-W616 HydrophobicContact CE-CZ2 4.09Å; M561-W616 HydrophobicContact SD-CH2 4.35Å; M561-W616 HydrophobicContact SD-CZ2 3.98Å; V612-W616 VanDerWaalsContact O-CD1 3.24Å; M613-W616 WeakPolarHBondContact O-CA 3.3Å; M613-W616 PolarHBondContact O-N 2.83Å; D614-W616 VanDerWaalsContact C-N 3.26Å; D614-W616 PolarHBondContact O-N 3.23Å; W616-P623 HydrophobicContact CH2-CG 3.84Å; W616-P623 HydrophobicContact CZ3-CG 4.24Å; W616-W661 AromaticContact CD2-CD1 3.72Å; W616-W661 AromaticContact CE3-CD1 3.66Å; W616-W661 HydrophobicContact CH2-CB 4.42Å; W616-W661 HydrophobicContact CZ2-CB 4.1Å; W616-W661 AromaticContact CZ3-CD1 3.97Å; W616-W661 HydrophobicContact CZ3-CG 4.47Å; W616-K662 PolarHBondContact NE1-O 3.12Å; W616-I663 HydrophobicContact CH2-CG1 4.38Å; W616-I663 HydrophobicContact CZ2-CB 4.42Å; W616-I663 HydrophobicContact CZ2-CG1 3.98Å; W616-I663 HydrophobicContact CZ2-CG2 4.43Å; W616-F709 HydrophobicContact CE3-CB 4.48Å; W616-F709 HydrophobicContact CE3-CD1 4.41Å; W616-F709 HydrophobicContact CZ3-CB 4.16Å; W616-F709 HydrophobicContact CZ3-CD1 4.32Å; W616-F709 WeakPolarHBondContact CZ3-O 3.25Å; W616-Y710 HydrophobicContact CH2-CD1 4.08Å
617	M	97.5	Very high	97	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-104.3	-31.6	-168	-58.8	-62.2	-101.7	0	0	113.6	W486 P532 V533 I534 V558 W593 M613	W486-M617 HydrophobicContact CD2-CE 3.31Å; W486-M617 VanDerWaalsContact CE2-CE 3.46Å; W486-M617 HydrophobicContact CE3-CE 3.35Å; W486-M617 HydrophobicContact CG-CE 3.99Å; W486-M617 HydrophobicContact CH2-CE 3.61Å; W486-M617 HydrophobicContact CZ2-CE 3.6Å; W486-M617 HydrophobicContact CZ3-CE 3.51Å; P532-M617 WeakPolarHBondContact CB-O 3.48Å; V533-M617 HydrophobicContact CB-CB 4.43Å; V533-M617 HydrophobicContact CB-CE 4.06Å; V533-M617 HydrophobicContact CB-SD 3.73Å; V533-M617 HydrophobicContact CG1-CE 3.56Å; V533-M617 HydrophobicContact CG1-SD 3.92Å; V533-M617 HydrophobicContact CG2-CE 4.46Å; V533-M617 HydrophobicContact CG2-SD 3.73Å; V533-M617 PolarHBondContact N-O 3.37Å; I534-M617 HydrophobicContact CD1-CB 3.55Å; I534-M617 HydrophobicContact CD1-CG 4.41Å; I534-M617 HydrophobicContact CG1-CB 4.01Å; I534-M617 PolarHBondContact N-O 3.2Å; V558-M617 HydrophobicContact CB-SD 4.41Å; V558-M617 HydrophobicContact CG1-SD 4.29Å; V558-M617 HydrophobicContact CG2-CE 3.76Å; V558-M617 HydrophobicContact CG2-SD 3.58Å; V558-M617 VanDerWaalsContact CG2-SD 3.58Å; W593-M617 HydrophobicContact CH2-CE 4.49Å; W593-M617 HydrophobicContact CH2-CG 4.41Å; W593-M617 HydrophobicContact CZ2-CG 4.11Å; M613-M617 HydrophobicContact CB-CG 4.44Å; M613-M617 WeakPolarHBondContact O-CB 3.44Å; M613-M617 VanDerWaalsContact O-CG 3.27Å; M613-M617 WeakPolarHBondContact O-CG 3.2Å; M613-M617 PolarHBondContact O-N 2.98Å
618	K	96	Very high	97.1	Very high	53 Å²	53	21.3 Å²	21.3	23%	0.23	10%	0.102	C	C	.	.	S	Bend	trans	-96.1	10.6	-176.9	-62.4	-177.2	176	172.6	0	113.6	I534 H589 E590 D614 Y657	I534-K618 HydrophobicContact CB-CG 4.49Å; I534-K618 HydrophobicContact CD1-CG 4.32Å; H589-K618 WeakPolarHBondContact NE2-CE 3.46Å; H589-K618 PolarHBondContact NE2-NZ 2.53Å; E590-K618 IonicContact OE1-NZ 2.67Å; E590-K618 PolarHBondContact OE1-NZ 2.7Å; D614-K618 HydrophobicContact CB-CD 4.42Å; D614-K618 WeakPolarHBondContact O-CB 3.29Å; D614-K618 PolarHBondContact O-N 3.01Å; D614-K618 VanDerWaalsContact O-N 3.1Å; D614-K618 WeakPolarHBondContact OD1-CE 3.28Å; D614-K618 IonicContact OD1-NZ 2.86Å; D614-K618 PolarHBondContact OD1-NZ 2.98Å; K618-Y657 HydrophobicContact CB-CE2 4.04Å
619	Q	94.4	Very high	97	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.019	9%	0.089	C	C	.	.	S	Bend	trans	-139.3	151.9	168.8	61.5	-176.2	-32.6	0	0	110.6	T615 S655 Y657 F659 T660 W661	T615-Q619 WeakPolarHBondContact O-CG 3.46Å; T615-Q619 PolarHBondContact O-NE2 3.44Å; Q619-S655 PolarHBondContact OE1-OG 2.9Å; Q619-Y657 HydrophobicContact CG-CD2 4.45Å; Q619-F659 VanDerWaalsContact OE1-CA 3.28Å; Q619-T660 PolarHBondContact NE2-O 3.05Å; Q619-T660 VanDerWaalsContact NE2-O 3.08Å; Q619-W661 HydrophobicContact CG-CZ2 4.42Å
620	M	92.5	Very high	96.5	Very high	27 Å²	27	21.7 Å²	21.7	13%	0.133	10%	0.101	C	C	.	.	S	Bend	trans	-75.9	166.6	177.6	62.5	175.9	83.5	0	0	112.4	S530 R531 P651 F659	S530-M620 WeakPolarHBondContact O-CE 3.43Å; R531-M620 VanDerWaalsContact C-CB 3.41Å; M620-P651 HydrophobicContact CE-CB 4.02Å; M620-P651 HydrophobicContact CE-CG 4.1Å; M620-P651 HydrophobicContact SD-CB 3.99Å; M620-P651 HydrophobicContact SD-CG 3.39Å; M620-P651 WeakPolarHBondContact SD-CG 3.2Å; M620-F659 HydrophobicContact CG-CE1 4.11Å
621	N	95.1	Very high	95.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	60.3	-162	176.8	-40.3	119.6	0	0	0	113.3	D525 L527 K554 H641 L643	D525-N621 VanDerWaalsContact O-CA 3.25Å; D525-N621 WeakPolarHBondContact O-CA 3.18Å; D525-N621 WeakPolarHBondContact O-CB 3.41Å; D525-N621 PolarHBondContact O-ND2 2.96Å; D525-N621 WeakPolarHBondContact OD1-CA 3.48Å; D525-N621 PolarHBondContact OD1-N 3.32Å; D525-N621 VanDerWaalsContact OD2-CA 3.26Å; D525-N621 WeakPolarHBondContact OD2-CA 3.43Å; D525-N621 PolarHBondContact OD2-N 3.49Å; L527-N621 PolarHBondContact O-ND2 3.36Å; K554-N621 PolarHBondContact NZ-O 2.95Å; N621-H641 WeakPolarHBondContact CB-NE2 3.35Å; N621-H641 PolarHBondContact OD1-CE1 2.9Å; N621-H641 PolarHBondContact OD1-NE2 3.38Å; N621-L643 WeakPolarHBondContact OD1-CD2 3.36Å
622	Y	97.3	Very high	94.6	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	167.8	-173.6	58.8	-94.3	0	0	0	111.3	L522 D525 Y642 F709 R711	L522-Y622 HydrophobicContact CB-CE1 4.19Å; L522-Y622 HydrophobicContact CD2-CD1 3.75Å; L522-Y622 HydrophobicContact CD2-CD2 3.78Å; L522-Y622 HydrophobicContact CD2-CE1 3.56Å; L522-Y622 HydrophobicContact CD2-CE2 3.62Å; L522-Y622 HydrophobicContact CD2-CG 3.86Å; L522-Y622 VanDerWaalsContact CD2-CZ 3.48Å; L522-Y622 HydrophobicContact CG-CE1 4.48Å; L522-Y622 VanDerWaalsContact O-CE1 3.26Å; L522-Y622 WeakPolarHBondContact O-CE1 3.36Å; L522-Y622 PolarHBondContact O-OH 3.32Å; D525-Y622 HydrophobicContact CB-CD1 4.29Å; D525-Y622 HydrophobicContact CB-CE1 4.37Å; Y622-Y642 HydrophobicContact CD2-CG 4.3Å; Y622-Y642 HydrophobicContact CE1-CD1 4.47Å; Y622-Y642 AromaticContact CE2-CD1 3.67Å; Y622-Y642 HydrophobicContact CE2-CD1 3.67Å; Y622-Y642 HydrophobicContact CE2-CD2 4.05Å; Y622-Y642 HydrophobicContact CE2-CE1 4.42Å; Y622-Y642 AromaticContact CE2-CG 3.47Å; Y622-Y642 HydrophobicContact CE2-CG 3.47Å; Y622-Y642 VanDerWaalsContact CE2-CG 3.47Å; Y622-Y642 AromaticContact CZ-CD1 3.52Å; Y622-Y642 AromaticContact CZ-CG 3.87Å; Y622-Y642 VanDerWaalsContact O-CB 3.31Å; Y622-Y642 WeakPolarHBondContact O-CB 3.41Å; Y622-Y642 PolarHBondContact O-N 3.32Å; Y622-Y642 WeakPolarHBondContact OH-CD1 3.06Å; Y622-Y642 VanDerWaalsContact OH-CE1 3.23Å; Y622-Y642 WeakPolarHBondContact OH-CE1 3.25Å; Y622-F709 WeakPolarHBondContact CB-O 2.97Å; Y622-F709 AromaticContact CD1-CE1 3.89Å; Y622-F709 HydrophobicContact CD1-CE1 3.89Å; Y622-F709 HydrophobicContact CD1-CZ 4.17Å; Y622-F709 HydrophobicContact CG-CE1 4.16Å; Y622-R711 HydrophobicContact CE2-CB 4.47Å; Y622-R711 HydrophobicContact CE2-CG 3.8Å; Y622-R711 PolarHBondContact OH-NE 2.7Å
623	P	97.8	Very high	93.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	149	179.7	27.7	-26.7	0	0	0	113.9	W616 Q639 K640 W661 I663 Y710 R711	W616-P623 HydrophobicContact CH2-CG 3.84Å; W616-P623 HydrophobicContact CZ3-CG 4.24Å; P623-Q639 HydrophobicContact CB-CB 4.16Å; P623-K640 CarbonylContact C-O 3.46Å; P623-K640 WeakPolarHBondContact CA-O 3.39Å; P623-W661 HydrophobicContact CB-CD2 4.11Å; P623-W661 HydrophobicContact CB-CE3 3.54Å; P623-W661 HydrophobicContact CB-CZ3 3.89Å; P623-W661 HydrophobicContact CG-CB 4.14Å; P623-W661 HydrophobicContact CG-CD2 3.88Å; P623-W661 HydrophobicContact CG-CE3 3.85Å; P623-W661 HydrophobicContact CG-CG 4.01Å; P623-I663 HydrophobicContact CB-CD1 3.93Å; P623-I663 HydrophobicContact CG-CD1 3.57Å; P623-I663 HydrophobicContact CG-CG1 4.14Å; P623-Y710 WeakPolarHBondContact O-CB 3.22Å; P623-R711 PolarHBondContact O-N 3.08Å
624	L	97.6	Very high	93.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.2	152.6	-174.6	58.3	0	0	0	108.6	I626 Q639 K640 Y642 R711 H713 L748	L624-I626 HydrophobicContact CD2-CD1 4.48Å; L624-I626 HydrophobicContact CD2-CG1 4.18Å; L624-I626 HydrophobicContact CG-CG1 4.15Å; L624-Q639 CarbonylContact O-C 3.58Å; L624-Q639 WeakPolarHBondContact O-CA 3.22Å; L624-K640 PolarHBondContact N-O 2.93Å; L624-K640 PolarHBondContact O-N 3.44Å; L624-Y642 HydrophobicContact CB-CD2 3.94Å; L624-Y642 HydrophobicContact CD1-CD2 4.08Å; L624-Y642 HydrophobicContact CD1-CE2 4.3Å; L624-Y642 HydrophobicContact CG-CD2 4.4Å; L624-R711 HydrophobicContact CD1-CB 3.95Å; L624-H713 HydrophobicContact CD1-CB 3.9Å; L624-H713 HydrophobicContact CD2-CB 4.22Å; L624-H713 HydrophobicContact CG-CB 4.22Å; L624-L748 HydrophobicContact CD1-CD2 3.86Å; L624-L748 HydrophobicContact CD2-CD2 4.11Å
625	V	98.7	Very high	93.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112	171.7	-179.6	0	0	0	0	108.8	V627 F637 I663 L665 Y710 R711 V712 H713	V625-V627 HydrophobicContact CG1-CG2 4Å; V625-F637 HydrophobicContact CG1-CD1 4.23Å; V625-I663 HydrophobicContact CG2-CD1 3.75Å; V625-I663 HydrophobicContact CG2-CG2 4.4Å; V625-L665 HydrophobicContact CG1-CD2 4.11Å; V625-L665 HydrophobicContact CG2-CD2 4.35Å; V625-Y710 HydrophobicContact CB-CD2 4.16Å; V625-Y710 HydrophobicContact CB-CE2 4.38Å; V625-Y710 HydrophobicContact CG2-CD2 3.55Å; V625-Y710 HydrophobicContact CG2-CE2 3.91Å; V625-Y710 HydrophobicContact CG2-CG 4.2Å; V625-R711 PolarHBondContact N-O 3.01Å; V625-V712 WeakPolarHBondContact O-CA 3.48Å; V625-H713 PolarHBondContact O-N 3.37Å
626	I	98.7	Very high	93.6	Very high	16 Å²	16	33.8 Å²	33.8	8%	0.082	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.9	175.2	-53.9	175.3	0	0	0	108.3	L624 F637 V638 K640 H713 A715	L624-I626 HydrophobicContact CD2-CD1 4.48Å; L624-I626 HydrophobicContact CD2-CG1 4.18Å; L624-I626 HydrophobicContact CG-CG1 4.15Å; I626-F637 WeakPolarHBondContact O-CA 3.24Å; I626-V638 HydrophobicContact CB-CB 4.4Å; I626-V638 WeakPolarHBondContact CB-O 3.16Å; I626-V638 PolarHBondContact N-O 3.03Å; I626-V638 PolarHBondContact O-N 3.42Å; I626-K640 HydrophobicContact CD1-CD 3.74Å; I626-K640 HydrophobicContact CD1-CG 4.1Å; I626-H713 CarbonylContact C-O 3.36Å; I626-H713 VanDerWaalsContact CA-O 3.27Å; I626-H713 WeakPolarHBondContact CA-O 3.25Å; I626-H713 HydrophobicContact CG1-CB 4.4Å; I626-A715 HydrophobicContact CG2-CB 3.65Å
627	V	98.4	Very high	93.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.6	179.9	-167.8	0	0	0	0	109.7	V625 F635 Q636 F637 Y700 F702 V712 H713 Y714 A715	V625-V627 HydrophobicContact CG1-CG2 4Å; V627-F635 HydrophobicContact CG1-CD1 3.92Å; V627-Q636 WeakPolarHBondContact CA-O 3.41Å; V627-F637 HydrophobicContact CB-CD1 4.45Å; V627-F637 HydrophobicContact CB-CE1 4.33Å; V627-F637 HydrophobicContact CG1-CD1 4.12Å; V627-F637 HydrophobicContact CG1-CE1 3.64Å; V627-F637 HydrophobicContact CG1-CZ 4.1Å; V627-F637 HydrophobicContact CG2-CD1 3.83Å; V627-F637 HydrophobicContact CG2-CE1 3.8Å; V627-Y700 HydrophobicContact CB-CE2 4.06Å; V627-Y700 HydrophobicContact CG1-CE2 3.58Å; V627-Y700 PolarHBondContact O-OH 2.99Å; V627-F702 HydrophobicContact CG1-CD2 4.23Å; V627-F702 HydrophobicContact CG1-CE2 3.86Å; V627-F702 HydrophobicContact CG1-CZ 4.47Å; V627-F702 HydrophobicContact CG2-CD2 4.03Å; V627-F702 HydrophobicContact CG2-CE2 4.4Å; V627-F702 HydrophobicContact CG2-CG 4.3Å; V627-V712 HydrophobicContact CG2-CG1 4.08Å; V627-H713 PolarHBondContact N-O 2.85Å; V627-Y714 HydrophobicContact CB-CD1 4.27Å; V627-A715 PolarHBondContact O-N 2.96Å
628	R	96.2	Very high	93.6	Very high	122 Å²	122	35.8 Å²	35.8	46%	0.46	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	134.1	170.1	-74.2	-172.4	-179.6	116.3	0.1	110.4	F635 Q636 A715	R628-F635 CarbonylContact O-C 3.59Å; R628-F635 WeakPolarHBondContact O-CA 3.39Å; R628-Q636 PolarHBondContact N-O 2.94Å; R628-Q636 PolarHBondContact O-N 2.83Å; R628-A715 HydrophobicContact CG-CB 3.69Å
629	R	93.7	Very high	93.7	Very high	48 Å²	48	33.7 Å²	33.7	18%	0.181	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.7	162.4	-172.7	-169.5	-60.7	-122.1	6.9	110.3	F635 V694 A695 S698 Y700 D716	R629-F635 HydrophobicContact CB-CD1 4.28Å; R629-F635 HydrophobicContact CB-CE1 3.92Å; R629-F635 HydrophobicContact CB-CZ 4.28Å; R629-F635 HydrophobicContact CG-CE1 4.18Å; R629-F635 HydrophobicContact CG-CE2 4.39Å; R629-F635 HydrophobicContact CG-CZ 4.02Å; R629-V694 PolarHBondContact NH1-O 3.39Å; R629-V694 VanDerWaalsContact NH2-CG1 3.27Å; R629-A695 PolarHBondContact NH1-O 3.47Å; R629-S698 PolarHBondContact NH2-O 2.95Å; R629-Y700 HydrophobicContact CB-CE1 4.47Å; R629-D716 WeakPolarHBondContact CB-OD2 3.33Å; R629-D716 PolarHBondContact N-OD2 2.92Å; R629-D716 VanDerWaalsContact N-OD2 3.08Å
630	N	88	Confident	93.8	Very high	48 Å²	48	39.1 Å²	39.1	26%	0.257	20%	0.201	S	C	.	.			trans	-98.5	178.5	167	-67	-21.3	0	0	0	110.7	Q634 Q636	N630-Q634 HydrophobicContact CB-CB 4.34Å; N630-Q634 WeakPolarHBondContact CB-O 3.46Å; N630-Q634 PolarHBondContact N-O 3.07Å; N630-Q634 PolarHBondContact ND2-OE1 3.05Å; N630-Q634 VanDerWaalsContact ND2-OE1 3.14Å; N630-Q636 VanDerWaalsContact ND2-CG 3.31Å; N630-Q636 WeakPolarHBondContact ND2-CG 3.2Å; N630-Q636 PolarHBondContact ND2-NE2 3.1Å
631	A	79.8	Confident	93.8	Very high	74 Å²	74	39.6 Å²	39.6	61%	0.612	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-54.3	156.5	165.1	0	0	0	0	0	111.8	G633 Q634	A631-G633 VanDerWaalsContact C-N 3.34Å; A631-G633 PolarHBondContact O-N 3.31Å; A631-Q634 PolarHBondContact O-N 3.3Å
632	D	75.1	Confident	93.7	Very high	148 Å²	148	39.6 Å²	39.6	79%	0.791	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	67.2	22.3	171.1	-44.5	-42	0	0	0	116.1	Q634	D632-Q634 PolarHBondContact O-N 3.46Å
633	G	82.7	Confident	93.3	Very high	17 Å²	17	40.1 Å²	40.1	18%	0.175	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	74.2	12.8	178.6	0	0	0	0	0	114.3	A631 F635 L692	A631-G633 VanDerWaalsContact C-N 3.34Å; A631-G633 PolarHBondContact O-N 3.31Å; G633-F635 WeakPolarHBondContact O-CD2 2.96Å; G633-L692 PolarHBondContact O-N 3.44Å
634	Q	93.1	Very high	92.3	Very high	73 Å²	73	40.7 Å²	40.7	34%	0.341	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	137.6	174.7	-172.4	-172.7	84.4	0	0	110.8	N630 A631 D632 T689	N630-Q634 HydrophobicContact CB-CB 4.34Å; N630-Q634 WeakPolarHBondContact CB-O 3.46Å; N630-Q634 PolarHBondContact N-O 3.07Å; N630-Q634 PolarHBondContact ND2-OE1 3.05Å; N630-Q634 VanDerWaalsContact ND2-OE1 3.14Å; A631-Q634 PolarHBondContact O-N 3.3Å; D632-Q634 PolarHBondContact O-N 3.46Å; Q634-T689 HydrophobicContact CG-CG2 3.23Å
635	F	96.7	Very high	91.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136	176.7	-72.1	-104.8	0	0	0	110.9	V627 R628 R629 G633 F637 T689 Q690 L692 V694 Y700	V627-F635 HydrophobicContact CG1-CD1 3.92Å; R628-F635 CarbonylContact O-C 3.59Å; R628-F635 WeakPolarHBondContact O-CA 3.39Å; R629-F635 HydrophobicContact CB-CD1 4.28Å; R629-F635 HydrophobicContact CB-CE1 3.92Å; R629-F635 HydrophobicContact CB-CZ 4.28Å; R629-F635 HydrophobicContact CG-CE1 4.18Å; R629-F635 HydrophobicContact CG-CE2 4.39Å; R629-F635 HydrophobicContact CG-CZ 4.02Å; G633-F635 WeakPolarHBondContact O-CD2 2.96Å; F635-F637 HydrophobicContact CB-CE2 3.6Å; F635-F637 HydrophobicContact CB-CZ 3.78Å; F635-T689 CarbonylContact O-C 3.55Å; F635-T689 VanDerWaalsContact O-CA 3.26Å; F635-T689 WeakPolarHBondContact O-CA 3.44Å; F635-Q690 PolarHBondContact N-O 3Å; F635-Q690 PolarHBondContact O-N 3.45Å; F635-L692 HydrophobicContact CB-CD1 4.03Å; F635-L692 HydrophobicContact CD1-CD1 4.14Å; F635-L692 HydrophobicContact CD2-CB 3.84Å; F635-L692 HydrophobicContact CD2-CD1 3.55Å; F635-L692 HydrophobicContact CD2-CG 3.77Å; F635-L692 HydrophobicContact CE2-CB 3.87Å; F635-L692 HydrophobicContact CE2-CD1 4Å; F635-L692 HydrophobicContact CE2-CG 4.26Å; F635-L692 HydrophobicContact CG-CD1 3.63Å; F635-L692 HydrophobicContact CG-CG 4.26Å; F635-L692 HydrophobicContact CZ-CD1 4.45Å; F635-V694 HydrophobicContact CE2-CB 4.14Å; F635-V694 HydrophobicContact CE2-CG2 4.31Å; F635-V694 HydrophobicContact CZ-CB 3.91Å; F635-V694 HydrophobicContact CZ-CG1 4.21Å; F635-V694 HydrophobicContact CZ-CG2 4.12Å; F635-Y700 HydrophobicContact CD1-CE2 4.25Å; F635-Y700 AromaticContact CE1-CD1 3.8Å; F635-Y700 HydrophobicContact CE1-CD1 3.8Å; F635-Y700 AromaticContact CE1-CD2 3.96Å; F635-Y700 HydrophobicContact CE1-CD2 3.96Å; F635-Y700 AromaticContact CE1-CE1 3.7Å; F635-Y700 HydrophobicContact CE1-CE1 3.7Å; F635-Y700 AromaticContact CE1-CE2 3.87Å; F635-Y700 HydrophobicContact CE1-CE2 3.87Å; F635-Y700 AromaticContact CE1-CG 3.91Å; F635-Y700 HydrophobicContact CE1-CG 3.91Å; F635-Y700 AromaticContact CE1-CZ 3.73Å; F635-Y700 HydrophobicContact CZ-CD1 4.31Å; F635-Y700 HydrophobicContact CZ-CG 4.45Å
636	Q	97.3	Very high	89.8	Confident	77 Å²	77	47.4 Å²	47.4	36%	0.36	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.4	171.8	-81.3	177.8	13	0	0	110.7	V627 R628 N630	V627-Q636 WeakPolarHBondContact CA-O 3.41Å; R628-Q636 PolarHBondContact N-O 2.94Å; R628-Q636 PolarHBondContact O-N 2.83Å; N630-Q636 VanDerWaalsContact ND2-CG 3.31Å; N630-Q636 WeakPolarHBondContact ND2-CG 3.2Å; N630-Q636 PolarHBondContact ND2-NE2 3.1Å
637	F	98.5	Very high	88.4	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.009	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.7	179.3	-58.5	-91.9	0	0	0	109.6	V625 I626 V627 F635 L665 M683 T687 M688 Q690 L692 F702	V625-F637 HydrophobicContact CG1-CD1 4.23Å; I626-F637 WeakPolarHBondContact O-CA 3.24Å; V627-F637 HydrophobicContact CB-CD1 4.45Å; V627-F637 HydrophobicContact CB-CE1 4.33Å; V627-F637 HydrophobicContact CG1-CD1 4.12Å; V627-F637 HydrophobicContact CG1-CE1 3.64Å; V627-F637 HydrophobicContact CG1-CZ 4.1Å; V627-F637 HydrophobicContact CG2-CD1 3.83Å; V627-F637 HydrophobicContact CG2-CE1 3.8Å; F635-F637 HydrophobicContact CB-CE2 3.6Å; F635-F637 HydrophobicContact CB-CZ 3.78Å; F637-L665 HydrophobicContact CD1-CD1 3.73Å; F637-L665 HydrophobicContact CE1-CD1 3.95Å; F637-L665 HydrophobicContact CG-CD1 4.19Å; F637-M683 HydrophobicContact CB-CE 3.87Å; F637-M683 HydrophobicContact CB-SD 4Å; F637-T687 CarbonylContact O-C 3.55Å; F637-T687 VanDerWaalsContact O-CA 3.23Å; F637-T687 WeakPolarHBondContact O-CA 3.38Å; F637-M688 HydrophobicContact CB-CB 4.25Å; F637-M688 HydrophobicContact CD2-CB 4.5Å; F637-M688 HydrophobicContact CD2-CE 3.59Å; F637-M688 HydrophobicContact CE2-CE 3.96Å; F637-M688 HydrophobicContact CG-CE 4Å; F637-M688 PolarHBondContact N-O 3.33Å; F637-M688 PolarHBondContact O-N 3.03Å; F637-Q690 HydrophobicContact CE2-CB 3.94Å; F637-L692 HydrophobicContact CZ-CD1 4.25Å; F637-F702 HydrophobicContact CE1-CD1 4Å; F637-F702 AromaticContact CE1-CE1 3.36Å; F637-F702 HydrophobicContact CE1-CE1 3.36Å; F637-F702 AromaticContact CE1-CE2 3.98Å; F637-F702 HydrophobicContact CE1-CE2 3.98Å; F637-F702 AromaticContact CE1-CZ 3.37Å; F637-F702 HydrophobicContact CE1-CZ 3.37Å; F637-F702 AromaticContact CZ-CE1 3.66Å; F637-F702 HydrophobicContact CZ-CE1 3.66Å; F637-F702 HydrophobicContact CZ-CE2 4.2Å; F637-F702 AromaticContact CZ-CZ 3.38Å; F637-F702 HydrophobicContact CZ-CZ 3.38Å
638	V	98.6	Very high	87.1	Confident	41 Å²	41	52.5 Å²	52.5	25%	0.248	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.2	171.9	-177.9	0	0	0	0	108.5	I626 K640 K686 T687	I626-V638 HydrophobicContact CB-CB 4.4Å; I626-V638 WeakPolarHBondContact CB-O 3.16Å; I626-V638 PolarHBondContact N-O 3.03Å; I626-V638 PolarHBondContact O-N 3.42Å; V638-K640 HydrophobicContact CG1-CG 4.32Å; V638-K686 WeakPolarHBondContact CA-O 3.37Å; V638-T687 HydrophobicContact CG1-CG2 4.44Å; V638-T687 HydrophobicContact CG2-CG2 4.16Å
639	Q	98.1	Very high	85.8	Confident	9 Å²	9	55.7 Å²	55.7	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.7	170.8	60.3	173.9	-70.1	0	0	110	P623 L624 W661 I663 M683 N685 K686	P623-Q639 HydrophobicContact CB-CB 4.16Å; L624-Q639 CarbonylContact O-C 3.58Å; L624-Q639 WeakPolarHBondContact O-CA 3.22Å; Q639-W661 PolarHBondContact NE2-O 3.04Å; Q639-W661 PolarHBondContact OE1-O 3.26Å; Q639-I663 HydrophobicContact CB-CD1 3.96Å; Q639-M683 HydrophobicContact CB-CE 3.99Å; Q639-M683 HydrophobicContact CB-SD 4.32Å; Q639-M683 HydrophobicContact CG-CE 3.89Å; Q639-N685 PolarHBondContact NE2-O 3.36Å; Q639-K686 WeakPolarHBondContact CG-O 3.42Å; Q639-K686 PolarHBondContact N-O 2.97Å
640	K	95	Very high	84.5	Confident	118 Å²	118	57.3 Å²	57.3	51%	0.513	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.4	172.7	-65	-168.8	-179	177.8	0	109.8	P623 L624 I626 V638 Y642	P623-K640 CarbonylContact C-O 3.46Å; P623-K640 WeakPolarHBondContact CA-O 3.39Å; L624-K640 PolarHBondContact N-O 2.93Å; L624-K640 PolarHBondContact O-N 3.44Å; I626-K640 HydrophobicContact CD1-CD 3.74Å; I626-K640 HydrophobicContact CD1-CG 4.1Å; V638-K640 HydrophobicContact CG1-CG 4.32Å; K640-Y642 PolarHBondContact O-N 3.48Å
641	H	93	Very high	83.5	Confident	37 Å²	37	56.1 Å²	56.1	17%	0.171	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	121.8	171.1	-175	-172.4	0	0	0	110.2	N621 F659 W661	N621-H641 WeakPolarHBondContact CB-NE2 3.35Å; N621-H641 PolarHBondContact OD1-CE1 2.9Å; N621-H641 PolarHBondContact OD1-NE2 3.38Å; H641-F659 HydrophobicContact CB-CB 4Å; H641-F659 HydrophobicContact CB-CG 4.45Å; H641-F659 AromaticContact CE1-CD1 3.46Å; H641-F659 VanDerWaalsContact CE1-CD1 3.46Å; H641-F659 WeakPolarHBondContact CE1-CD1 3.44Å; H641-F659 AromaticContact CE1-CE1 3.4Å; H641-F659 WeakPolarHBondContact CE1-CE1 3.37Å; H641-F659 AromaticContact CE1-CG 3.81Å; H641-F659 AromaticContact CE1-CZ 3.71Å; H641-F659 AromaticContact CG-CG 3.95Å; H641-F659 AromaticContact ND1-CD1 3.67Å; H641-F659 AromaticContact ND1-CD2 3.75Å; H641-F659 AromaticContact ND1-CE1 3.99Å; H641-F659 AromaticContact ND1-CG 3.53Å; H641-F659 AromaticContact NE2-CD1 3.71Å; H641-F659 AromaticContact NE2-CE1 3.8Å; H641-W661 HydrophobicContact CB-CH2 4.39Å; H641-W661 AromaticContact CD2-CH2 3.91Å
642	Y	93.2	Very high	82.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118.1	176.5	-165.9	-76.6	0	0	0	110	Y622 L624 K640 E644 R711 R751	Y622-Y642 HydrophobicContact CD2-CG 4.3Å; Y622-Y642 HydrophobicContact CE1-CD1 4.47Å; Y622-Y642 AromaticContact CE2-CD1 3.67Å; Y622-Y642 HydrophobicContact CE2-CD1 3.67Å; Y622-Y642 HydrophobicContact CE2-CD2 4.05Å; Y622-Y642 HydrophobicContact CE2-CE1 4.42Å; Y622-Y642 AromaticContact CE2-CG 3.47Å; Y622-Y642 HydrophobicContact CE2-CG 3.47Å; Y622-Y642 VanDerWaalsContact CE2-CG 3.47Å; Y622-Y642 AromaticContact CZ-CD1 3.52Å; Y622-Y642 AromaticContact CZ-CG 3.87Å; Y622-Y642 VanDerWaalsContact O-CB 3.31Å; Y622-Y642 WeakPolarHBondContact O-CB 3.41Å; Y622-Y642 PolarHBondContact O-N 3.32Å; Y622-Y642 WeakPolarHBondContact OH-CD1 3.06Å; Y622-Y642 VanDerWaalsContact OH-CE1 3.23Å; Y622-Y642 WeakPolarHBondContact OH-CE1 3.25Å; L624-Y642 HydrophobicContact CB-CD2 3.94Å; L624-Y642 HydrophobicContact CD1-CD2 4.08Å; L624-Y642 HydrophobicContact CD1-CE2 4.3Å; L624-Y642 HydrophobicContact CG-CD2 4.4Å; K640-Y642 PolarHBondContact O-N 3.48Å; Y642-E644 HydrophobicContact CD1-CG 4.5Å; Y642-E644 HydrophobicContact CE1-CG 3.66Å; Y642-E644 WeakPolarHBondContact CE1-OE1 3.48Å; Y642-E644 VanDerWaalsContact CZ-OE1 3.27Å; Y642-E644 PolarHBondContact OH-OE1 2.91Å; Y642-R711 HydrophobicContact CD2-CB 4.38Å; Y642-R711 HydrophobicContact CE2-CB 4.4Å; Y642-R711 HydrophobicContact CE2-CG 4.49Å; Y642-R751 VanDerWaalsContact CE2-NH1 3.27Å; Y642-R751 WeakPolarHBondContact OH-CD 3.5Å
643	L	88.3	Confident	82.1	Confident	12 Å²	12	61.6 Å²	61.6	6%	0.063	31%	0.313	C	S	.	.			trans	-132.3	146.9	174.7	-70.5	174.2	0	0	0	110.7	S526 A528 N621 P645 A648	S526-L643 CarbonylContact O-C 3.45Å; S526-L643 VanDerWaalsContact O-CA 3.3Å; S526-L643 WeakPolarHBondContact O-CA 3.3Å; A528-L643 HydrophobicContact CB-CD2 4.41Å; N621-L643 WeakPolarHBondContact OD1-CD2 3.36Å; L643-P645 CarbonylContact C-O 3.56Å; L643-P645 CarbonylContact O-C 3.52Å; L643-A648 HydrophobicContact CB-CB 4.22Å; L643-A648 HydrophobicContact CD1-CB 4.44Å
644	E	78	Confident	81.7	Confident	12 Å²	12	66.1 Å²	66.1	6%	0.056	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-120.4	125.1	172.8	-71.3	-70.8	164.7	0	0	110.6	S526 Y642 R751	S526-E644 PolarHBondContact O-N 3.19Å; S526-E644 WeakPolarHBondContact OG-CB 3.48Å; S526-E644 WeakPolarHBondContact OG-CG 3.5Å; Y642-E644 HydrophobicContact CD1-CG 4.5Å; Y642-E644 HydrophobicContact CE1-CG 3.66Å; Y642-E644 WeakPolarHBondContact CE1-OE1 3.48Å; Y642-E644 VanDerWaalsContact CZ-OE1 3.27Å; Y642-E644 PolarHBondContact OH-OE1 2.91Å; E644-R751 WeakPolarHBondContact OE1-CB 3.13Å
645	P	71.4	Confident	81.4	Confident	37 Å²	37	63 Å²	63	24%	0.24	33%	0.326	C	S	.	.	S	Bend	cis	-69.5	167.2	-6.1	31.9	-37.8	0	0	0	112.8	L643 D647 A648 E1056	L643-P645 CarbonylContact C-O 3.56Å; L643-P645 CarbonylContact O-C 3.52Å; P645-D647 WeakPolarHBondContact CB-OD1 3.33Å; P645-D647 PolarHBondContact O-N 3Å; P645-D647 VanDerWaalsContact O-N 3.14Å; P645-A648 HydrophobicContact CG-CB 4.43Å; P645-A648 WeakPolarHBondContact O-CB 3.43Å; P645-A648 PolarHBondContact O-N 3.18Å; P645-E1056 HydrophobicContact CG-CG 4.41Å
646	Q	72	Confident	81.1	Confident	104 Å²	104	67.6 Å²	67.6	49%	0.486	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-32.3	-177.7	179	173	-1.8	0	0	114.1	A648 R751 T753	Q646-A648 VanDerWaalsContact C-N 3.32Å; Q646-R751 HydrophobicContact CB-CB 4.33Å; Q646-R751 PolarHBondContact OE1-O 2.83Å; Q646-T753 PolarHBondContact OE1-OG1 3.38Å
647	D	69.1	Low	81	Confident	100 Å²	100	67.4 Å²	67.4	54%	0.535	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	9.3	179.8	65.7	-40.4	0	0	0	113.5	P645 K649 K1059	P645-D647 WeakPolarHBondContact CB-OD1 3.33Å; P645-D647 PolarHBondContact O-N 3Å; P645-D647 VanDerWaalsContact O-N 3.14Å; D647-K649 PolarHBondContact O-N 3.47Å; D647-K1059 IonicContact OD1-NZ 2.8Å; D647-K1059 IonicContact OD2-NZ 2.83Å; D647-K1059 PolarHBondContact OD2-NZ 3.5Å
648	A	70.6	Confident	80.7	Confident	23 Å²	23	72.8 Å²	72.8	19%	0.19	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-56.4	126.7	171.9	0	0	0	0	0	109.9	A528 L643 P645 Q646 S650	A528-A648 HydrophobicContact CB-CB 4.26Å; L643-A648 HydrophobicContact CB-CB 4.22Å; L643-A648 HydrophobicContact CD1-CB 4.44Å; P645-A648 HydrophobicContact CG-CB 4.43Å; P645-A648 WeakPolarHBondContact O-CB 3.43Å; P645-A648 PolarHBondContact O-N 3.18Å; Q646-A648 VanDerWaalsContact C-N 3.32Å; A648-S650 PolarHBondContact O-N 3.03Å
649	K	69.1	Low	80.4	Confident	189 Å²	189	72.3 Å²	72.3	82%	0.822	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-60.5	138.7	173.5	-67.7	-175.2	178.7	-177.2	0	108.9	D647	D647-K649 PolarHBondContact O-N 3.47Å
650	S	66.3	Low	80.4	Confident	83 Å²	83	73.1 Å²	73.1	58%	0.58	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-52.5	142.8	171.2	-62.5	0	0	0	0	110.1	A648	A648-S650 PolarHBondContact O-N 3.03Å
651	P	67.7	Low	80.5	Confident	22 Å²	22	67.6 Å²	67.6	14%	0.143	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-51.4	147.1	178.1	-23.8	30.7	0	0	0	111.8	M620 N653 F659	M620-P651 HydrophobicContact CE-CB 4.02Å; M620-P651 HydrophobicContact CE-CG 4.1Å; M620-P651 HydrophobicContact SD-CB 3.99Å; M620-P651 HydrophobicContact SD-CG 3.39Å; M620-P651 WeakPolarHBondContact SD-CG 3.2Å; P651-N653 PolarHBondContact O-N 2.89Å; P651-F659 HydrophobicContact CG-CZ 4.22Å
652	K	59.4	Low	80.8	Confident	211 Å²	211	68.3 Å²	68.3	92%	0.917	36%	0.359	S	S	*	.	S	Bend	trans	-58.7	-35.3	179.9	-72.4	-172.3	177	-173.9	0	112.5	P654	K652-P654 WeakPolarHBondContact O-CD 3.33Å
653	N	66.9	Low	81	Confident	127 Å²	127	68.3 Å²	68.3	68%	0.679	36%	0.359	S	S	*	.	S	Bend	trans	-84.5	116	179.2	-65	-9.7	0	0	0	109.3	P651	P651-N653 PolarHBondContact O-N 2.89Å
654	P	72.5	Confident	81.5	Confident	111 Å²	111	68 Å²	68	72%	0.721	36%	0.358	S	S	*	.			trans	-67.1	136.9	178.7	27.1	-32.8	0	0	0	110.6	K652	K652-P654 WeakPolarHBondContact O-CD 3.33Å
655	S	87.9	Confident	82.4	Confident	9 Å²	9	67.5 Å²	67.5	6%	0.063	36%	0.356	C	S	.	.			trans	-64	136.9	171.5	159.9	0	0	0	0	110.2	Q619 Y657 N658 F659	Q619-S655 PolarHBondContact OE1-OG 2.9Å; S655-Y657 PolarHBondContact O-N 3.26Å; S655-Y657 PolarHBondContact OG-N 3.38Å; S655-N658 PolarHBondContact O-N 3.29Å; S655-N658 PolarHBondContact OG-N 3.29Å; S655-F659 PolarHBondContact OG-N 2.84Å
656	P	90.5	Very high	83.6	Confident	95 Å²	95	66 Å²	66	62%	0.617	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.3	173.8	25.6	-32.8	0	0	0	113.5
657	Y	94.3	Very high	84.8	Confident	74 Å²	74	64 Å²	64	29%	0.29	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	13.2	178.5	-55	-75	0	0	0	113	D614 T615 K618 Q619 S655 F659 T660	D614-Y657 WeakPolarHBondContact CB-OH 3.5Å; D614-Y657 WeakPolarHBondContact O-CE2 3.36Å; T615-Y657 HydrophobicContact CG2-CD1 4Å; T615-Y657 HydrophobicContact CG2-CE1 4.31Å; T615-Y657 HydrophobicContact CG2-CG 4.23Å; K618-Y657 HydrophobicContact CB-CE2 4.04Å; Q619-Y657 HydrophobicContact CG-CD2 4.45Å; S655-Y657 PolarHBondContact O-N 3.26Å; S655-Y657 PolarHBondContact OG-N 3.38Å; Y657-F659 PolarHBondContact O-N 2.98Å; Y657-F659 VanDerWaalsContact O-N 3.12Å; Y657-T660 WeakPolarHBondContact O-CB 3.37Å; Y657-T660 PolarHBondContact O-N 3.19Å; Y657-T660 PolarHBondContact O-OG1 2.91Å
658	N	92.5	Very high	86	Confident	115 Å²	115	59.2 Å²	59.2	62%	0.615	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	36.8	-178.8	-67.6	-15.7	0	0	0	113.4	S655 T660 K686	S655-N658 PolarHBondContact O-N 3.29Å; S655-N658 PolarHBondContact OG-N 3.29Å; N658-T660 VanDerWaalsContact C-N 3.28Å; N658-T660 PolarHBondContact O-N 3.35Å; N658-T660 PolarHBondContact O-OG1 3.36Å; N658-K686 PolarHBondContact O-NZ 3.03Å
659	F	93.3	Very high	87.2	Confident	31 Å²	31	58.3 Å²	58.3	14%	0.136	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	48.4	-175.4	-58.9	-74.4	0	0	0	112.3	Q619 M620 H641 P651 S655 Y657 W661	Q619-F659 VanDerWaalsContact OE1-CA 3.28Å; M620-F659 HydrophobicContact CG-CE1 4.11Å; H641-F659 HydrophobicContact CB-CB 4Å; H641-F659 HydrophobicContact CB-CG 4.45Å; H641-F659 AromaticContact CE1-CD1 3.46Å; H641-F659 VanDerWaalsContact CE1-CD1 3.46Å; H641-F659 WeakPolarHBondContact CE1-CD1 3.44Å; H641-F659 AromaticContact CE1-CE1 3.4Å; H641-F659 WeakPolarHBondContact CE1-CE1 3.37Å; H641-F659 AromaticContact CE1-CG 3.81Å; H641-F659 AromaticContact CE1-CZ 3.71Å; H641-F659 AromaticContact CG-CG 3.95Å; H641-F659 AromaticContact ND1-CD1 3.67Å; H641-F659 AromaticContact ND1-CD2 3.75Å; H641-F659 AromaticContact ND1-CE1 3.99Å; H641-F659 AromaticContact ND1-CG 3.53Å; H641-F659 AromaticContact NE2-CD1 3.71Å; H641-F659 AromaticContact NE2-CE1 3.8Å; P651-F659 HydrophobicContact CG-CZ 4.22Å; S655-F659 PolarHBondContact OG-N 2.84Å; Y657-F659 PolarHBondContact O-N 2.98Å; Y657-F659 VanDerWaalsContact O-N 3.12Å; F659-W661 HydrophobicContact CB-CH2 3.83Å; F659-W661 HydrophobicContact CB-CZ3 4.04Å; F659-W661 HydrophobicContact CD1-CH2 4.13Å; F659-W661 HydrophobicContact CD1-CZ2 4.42Å; F659-W661 HydrophobicContact CG-CH2 4.49Å; F659-W661 WeakPolarHBondContact O-CZ3 3.12Å
660	T	97.1	Very high	88.3	Confident	26 Å²	26	52.1 Å²	52.1	16%	0.16	29%	0.285	C	S	.	.			trans	-120.8	134.8	172.2	-49.3	0	0	0	0	108.4	Q619 Y657 N658 K686	Q619-T660 PolarHBondContact NE2-O 3.05Å; Q619-T660 VanDerWaalsContact NE2-O 3.08Å; Y657-T660 WeakPolarHBondContact O-CB 3.37Å; Y657-T660 PolarHBondContact O-N 3.19Å; Y657-T660 PolarHBondContact O-OG1 2.91Å; N658-T660 VanDerWaalsContact C-N 3.28Å; N658-T660 PolarHBondContact O-N 3.35Å; N658-T660 PolarHBondContact O-OG1 3.36Å; T660-K686 HydrophobicContact CG2-CG 3.83Å; T660-K686 WeakPolarHBondContact OG1-CE 3.41Å; T660-K686 WeakPolarHBondContact OG1-CG 3.18Å
661	W	98.3	Very high	89.5	Confident	1 Å²	1	53.8 Å²	53.8	0%	0.004	28%	0.282	C	S	.	.			trans	-117.1	153.7	-178.7	-64.8	-98.1	0	0	0	110.5	T615 W616 Q619 P623 Q639 H641 F659 I663	T615-W661 PolarHBondContact O-NE1 3.3Å; W616-W661 AromaticContact CD2-CD1 3.72Å; W616-W661 AromaticContact CE3-CD1 3.66Å; W616-W661 HydrophobicContact CH2-CB 4.42Å; W616-W661 HydrophobicContact CZ2-CB 4.1Å; W616-W661 AromaticContact CZ3-CD1 3.97Å; W616-W661 HydrophobicContact CZ3-CG 4.47Å; Q619-W661 HydrophobicContact CG-CZ2 4.42Å; P623-W661 HydrophobicContact CB-CD2 4.11Å; P623-W661 HydrophobicContact CB-CE3 3.54Å; P623-W661 HydrophobicContact CB-CZ3 3.89Å; P623-W661 HydrophobicContact CG-CB 4.14Å; P623-W661 HydrophobicContact CG-CD2 3.88Å; P623-W661 HydrophobicContact CG-CE3 3.85Å; P623-W661 HydrophobicContact CG-CG 4.01Å; Q639-W661 PolarHBondContact NE2-O 3.04Å; Q639-W661 PolarHBondContact OE1-O 3.26Å; H641-W661 HydrophobicContact CB-CH2 4.39Å; H641-W661 AromaticContact CD2-CH2 3.91Å; F659-W661 HydrophobicContact CB-CH2 3.83Å; F659-W661 HydrophobicContact CB-CZ3 4.04Å; F659-W661 HydrophobicContact CD1-CH2 4.13Å; F659-W661 HydrophobicContact CD1-CZ2 4.42Å; F659-W661 HydrophobicContact CG-CH2 4.49Å; F659-W661 WeakPolarHBondContact O-CZ3 3.12Å; W661-I663 HydrophobicContact CB-CD1 4.33Å; W661-I663 HydrophobicContact CB-CG1 3.82Å
662	K	98.3	Very high	90.7	Very high	52 Å²	52	54.3 Å²	54.3	23%	0.226	29%	0.285	C	S	.	.			trans	-93.1	109.8	165.4	-65.4	-176.7	-170.3	163.3	0	108.4	A611 V612 T615 W616 M683 M684	A611-K662 VanDerWaalsContact O-CD 3.3Å; A611-K662 WeakPolarHBondContact O-CD 3.36Å; A611-K662 WeakPolarHBondContact O-CE 3.3Å; A611-K662 PolarHBondContact O-NZ 3.44Å; V612-K662 HydrophobicContact CB-CB 4.48Å; V612-K662 HydrophobicContact CG1-CB 4.02Å; V612-K662 WeakPolarHBondContact CG1-O 3.44Å; V612-K662 HydrophobicContact CG2-CB 4.41Å; V612-K662 HydrophobicContact CG2-CD 4.4Å; T615-K662 HydrophobicContact CG2-CG 4.39Å; T615-K662 PolarHBondContact OG1-N 2.78Å; W616-K662 PolarHBondContact NE1-O 3.12Å; K662-M683 WeakPolarHBondContact CA-O 3.38Å; K662-M684 HydrophobicContact CB-SD 4.34Å; K662-M684 HydrophobicContact CD-CE 3.94Å; K662-M684 HydrophobicContact CD-SD 4Å; K662-M684 HydrophobicContact CG-SD 4.15Å
663	I	98.6	Very high	91.9	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.6	-165.3	-51.6	169.5	0	0	0	109.4	W616 P623 V625 Q639 W661 L665 M683 Y710	W616-I663 HydrophobicContact CH2-CG1 4.38Å; W616-I663 HydrophobicContact CZ2-CB 4.42Å; W616-I663 HydrophobicContact CZ2-CG1 3.98Å; W616-I663 HydrophobicContact CZ2-CG2 4.43Å; P623-I663 HydrophobicContact CB-CD1 3.93Å; P623-I663 HydrophobicContact CG-CD1 3.57Å; P623-I663 HydrophobicContact CG-CG1 4.14Å; V625-I663 HydrophobicContact CG2-CD1 3.75Å; V625-I663 HydrophobicContact CG2-CG2 4.4Å; Q639-I663 HydrophobicContact CB-CD1 3.96Å; W661-I663 HydrophobicContact CB-CD1 4.33Å; W661-I663 HydrophobicContact CB-CG1 3.82Å; I663-L665 HydrophobicContact CB-CD2 4.48Å; I663-L665 HydrophobicContact CG2-CD2 3.73Å; I663-L665 HydrophobicContact CG2-CG 4.4Å; I663-L665 PolarHBondContact O-N 3.39Å; I663-M683 HydrophobicContact CB-CB 4.26Å; I663-M683 HydrophobicContact CD1-SD 4.24Å; I663-M683 PolarHBondContact N-O 3Å; I663-M683 PolarHBondContact O-N 3.27Å; I663-Y710 HydrophobicContact CG2-CD1 3.68Å; I663-Y710 HydrophobicContact CG2-CE1 3.42Å; I663-Y710 VanDerWaalsContact CG2-CE1 3.42Å; I663-Y710 HydrophobicContact CG2-CE2 4.35Å; I663-Y710 HydrophobicContact CG2-CG 4.26Å
664	P	97.6	Very high	92.8	Very high	7 Å²	7	51.6 Å²	51.6	5%	0.045	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	106.4	168.1	30.2	-30.1	0	0	0	109	M561 F565 V680 W682 Y710	M561-P664 HydrophobicContact CG-CG 3.97Å; M561-P664 HydrophobicContact SD-CG 3.96Å; F565-P664 HydrophobicContact CB-CB 4.09Å; F565-P664 HydrophobicContact CD1-CB 4.3Å; F565-P664 HydrophobicContact CD1-CG 3.98Å; P664-V680 HydrophobicContact CB-CB 4.21Å; P664-V680 HydrophobicContact CB-CG1 4.04Å; P664-W682 HydrophobicContact CB-CE3 4.36Å; P664-W682 HydrophobicContact CB-CH2 3.98Å; P664-W682 HydrophobicContact CB-CZ2 4.44Å; P664-W682 HydrophobicContact CB-CZ3 3.93Å; P664-W682 HydrophobicContact CG-CH2 4.43Å; P664-W682 HydrophobicContact CG-CZ3 4.29Å; P664-Y710 PolarHBondContact O-OH 3.07Å
665	L	97.9	Very high	93.6	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.3	177.1	-59.3	175.9	0	0	0	109.9	V625 F637 I663 V680 I681 M683 M688 F702 Y710	V625-L665 HydrophobicContact CG1-CD2 4.11Å; V625-L665 HydrophobicContact CG2-CD2 4.35Å; F637-L665 HydrophobicContact CD1-CD1 3.73Å; F637-L665 HydrophobicContact CE1-CD1 3.95Å; F637-L665 HydrophobicContact CG-CD1 4.19Å; I663-L665 HydrophobicContact CB-CD2 4.48Å; I663-L665 HydrophobicContact CG2-CD2 3.73Å; I663-L665 HydrophobicContact CG2-CG 4.4Å; I663-L665 PolarHBondContact O-N 3.39Å; L665-V680 WeakPolarHBondContact O-CA 3.29Å; L665-I681 HydrophobicContact CB-CB 4.39Å; L665-I681 VanDerWaalsContact CB-O 3.29Å; L665-I681 WeakPolarHBondContact CB-O 3.41Å; L665-I681 PolarHBondContact N-O 3.44Å; L665-I681 PolarHBondContact O-N 3.16Å; L665-M683 HydrophobicContact CD1-CB 3.82Å; L665-M683 HydrophobicContact CD1-SD 4.46Å; L665-M683 HydrophobicContact CG-CB 4.15Å; L665-M688 HydrophobicContact CD1-CE 3.59Å; L665-F702 HydrophobicContact CB-CD1 4.25Å; L665-F702 HydrophobicContact CB-CE1 4.36Å; L665-Y710 HydrophobicContact CD2-CE2 4.23Å
666	T	96.7	Very high	93.6	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.025	27%	0.268	C	S	.	.			trans	-113.5	146.9	167.1	54.7	0	0	0	0	108.3	E677 V680 F702 N703 I704	T666-E677 WeakPolarHBondContact CG2-O 3.37Å; T666-V680 HydrophobicContact CG2-CG1 3.94Å; T666-F702 CarbonylContact O-C 3.56Å; T666-F702 VanDerWaalsContact O-CA 3.28Å; T666-F702 WeakPolarHBondContact O-CA 3.45Å; T666-F702 WeakPolarHBondContact O-CD1 3.27Å; T666-N703 PolarHBondContact O-N 3.48Å; T666-I704 PolarHBondContact OG1-N 3.41Å
667	Y	95.8	Very high	93.4	Very high	62 Å²	62	48 Å²	48	24%	0.243	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.6	-177.6	81.4	-76.7	0	0	0	113.5	I681 L692 V694 L701 F702 I704	Y667-I681 HydrophobicContact CD1-CD1 3.92Å; Y667-I681 HydrophobicContact CE1-CD1 3.83Å; Y667-L692 HydrophobicContact CD1-CD2 4.22Å; Y667-L692 HydrophobicContact CD2-CD1 4.23Å; Y667-L692 HydrophobicContact CE1-CD2 3.87Å; Y667-L692 HydrophobicContact CE2-CB 4.06Å; Y667-L692 HydrophobicContact CE2-CD1 4.42Å; Y667-L692 HydrophobicContact CE2-CD2 4.26Å; Y667-L692 HydrophobicContact CE2-CG 4.49Å; Y667-L692 HydrophobicContact CG-CD1 4.43Å; Y667-V694 HydrophobicContact CD2-CG2 4.26Å; Y667-V694 HydrophobicContact CE2-CG2 4.04Å; Y667-L701 CarbonylContact C-O 3.59Å; Y667-L701 WeakPolarHBondContact CA-O 3.46Å; Y667-L701 WeakPolarHBondContact CB-O 3.36Å; Y667-F702 VanDerWaalsContact CB-CE1 3.49Å; Y667-F702 HydrophobicContact CG-CE1 4.34Å; Y667-F702 HydrophobicContact CG-CZ 4.24Å; Y667-I704 WeakPolarHBondContact O-CD1 3.19Å
668	G	95.2	Very high	93.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	167.5	170.8	0	0	0	0	0	112.2	T672 Y700 L701	G668-T672 VanDerWaalsContact CA-OG1 3.25Å; G668-T672 WeakPolarHBondContact CA-OG1 3.41Å; G668-Y700 CarbonylContact O-C 3.54Å; G668-Y700 WeakPolarHBondContact O-CA 3.49Å; G668-L701 PolarHBondContact N-O 2.58Å; G668-L701 PolarHBondContact O-N 3.27Å
669	S	95.3	Very high	93	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.028	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	-177.4	179.7	71.5	0	0	0	0	110.5	K671 T672 W699	S669-K671 PolarHBondContact O-N 2.72Å; S669-K671 PolarHBondContact OG-N 3.45Å; S669-T672 PolarHBondContact N-OG1 3.43Å; S669-T672 WeakPolarHBondContact O-CB 3.46Å; S669-T672 PolarHBondContact O-N 3.46Å; S669-T672 PolarHBondContact O-OG1 2.84Å; S669-W699 VanDerWaalsContact C-CZ3 3.46Å; S669-W699 WeakPolarHBondContact O-CH2 3.31Å
670	A	92.8	Very high	93	Very high	60 Å²	60	47.1 Å²	47.1	50%	0.496	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.4	174.2	0	0	0	0	0	114.8	W699	A670-W699 VanDerWaalsContact CA-CZ2 3.49Å; A670-W699 HydrophobicContact CB-CZ2 4.05Å
671	K	90.6	Very high	92.9	Very high	118 Å²	118	47.4 Å²	47.4	51%	0.513	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-9	175.6	-69.8	-178	-179.2	175.4	0	113.7	S669 N673 D693	S669-K671 PolarHBondContact O-N 2.72Å; S669-K671 PolarHBondContact OG-N 3.45Å; K671-N673 PolarHBondContact O-N 3Å; K671-D693 IonicContact NZ-OD1 3.88Å; K671-D693 PolarHBondContact NZ-OD1 2.03Å; K671-D693 IonicContact NZ-OD2 3.39Å
672	T	93	Very high	92.9	Very high	33 Å²	33	50.6 Å²	50.6	20%	0.202	26%	0.262	C	S	.	.			trans	-72.4	115.1	-172.2	-63.5	0	0	0	0	110.8	G668 S669 N674 W675	G668-T672 VanDerWaalsContact CA-OG1 3.25Å; G668-T672 WeakPolarHBondContact CA-OG1 3.41Å; S669-T672 PolarHBondContact N-OG1 3.43Å; S669-T672 WeakPolarHBondContact O-CB 3.46Å; S669-T672 PolarHBondContact O-N 3.46Å; S669-T672 PolarHBondContact O-OG1 2.84Å; T672-N674 WeakPolarHBondContact CG2-O 3.42Å; T672-W675 HydrophobicContact CG2-CD2 3.78Å; T672-W675 HydrophobicContact CG2-CE3 3.93Å; T672-W675 HydrophobicContact CG2-CG 4.32Å; T672-W675 HydrophobicContact CG2-CH2 4.25Å; T672-W675 HydrophobicContact CG2-CZ2 4.09Å; T672-W675 HydrophobicContact CG2-CZ3 4.18Å
673	N	84.9	Confident	92.9	Very high	161 Å²	161	48.1 Å²	48.1	86%	0.861	25%	0.251	S	S	*	.			trans	-98	-25.6	175.6	-64.8	-32.7	0	0	0	112.8	K671	K671-N673 PolarHBondContact O-N 3Å
674	N	85.5	Confident	92.7	Very high	119 Å²	119	52.6 Å²	52.6	64%	0.636	27%	0.273	S	S	*	.			trans	-119.2	120.8	177.5	-174.7	13.6	0	0	0	109.6	T672 D676	T672-N674 WeakPolarHBondContact CG2-O 3.42Å; N674-D676 VanDerWaalsContact C-N 3.26Å; N674-D676 PolarHBondContact O-N 2.62Å; N674-D676 PolarHBondContact OD1-N 2.87Å
675	W	89.7	Confident	92.7	Very high	43 Å²	43	57.6 Å²	57.6	16%	0.163	30%	0.3	C	S	.	.			trans	-96.9	47.8	-178.9	-62.3	94.7	0	0	0	110.6	T672 W699 L701 I704 P734	T672-W675 HydrophobicContact CG2-CD2 3.78Å; T672-W675 HydrophobicContact CG2-CE3 3.93Å; T672-W675 HydrophobicContact CG2-CG 4.32Å; T672-W675 HydrophobicContact CG2-CH2 4.25Å; T672-W675 HydrophobicContact CG2-CZ2 4.09Å; T672-W675 HydrophobicContact CG2-CZ3 4.18Å; W675-W699 AromaticContact CH2-CH2 3.91Å; W675-W699 HydrophobicContact CH2-CH2 3.91Å; W675-W699 HydrophobicContact CH2-CZ3 4.07Å; W675-W699 HydrophobicContact CZ2-CH2 4.31Å; W675-L701 HydrophobicContact CZ3-CD2 4.03Å; W675-I704 HydrophobicContact CB-CG2 4.06Å; W675-I704 HydrophobicContact CE3-CD1 4.18Å; W675-I704 HydrophobicContact CE3-CG1 4.2Å; W675-I704 HydrophobicContact CE3-CG2 3.97Å; W675-P734 HydrophobicContact CB-CG 4.22Å; W675-P734 HydrophobicContact CD2-CG 3.26Å; W675-P734 VanDerWaalsContact CE2-CD 3.49Å; W675-P734 HydrophobicContact CE3-CG 3.75Å; W675-P734 HydrophobicContact CG-CG 3.46Å; W675-P734 VanDerWaalsContact CG-CG 3.46Å; W675-P734 HydrophobicContact CH2-CG 4.36Å; W675-P734 HydrophobicContact CZ2-CG 3.97Å; W675-P734 HydrophobicContact CZ3-CG 4.26Å
676	D	86.8	Confident	92.6	Very high	68 Å²	68	62.8 Å²	62.8	36%	0.364	32%	0.322	S	S	.	.			trans	-72.6	126.3	179.1	-169.4	-15.6	0	0	0	109.8	N674 T678	N674-D676 VanDerWaalsContact C-N 3.26Å; N674-D676 PolarHBondContact O-N 2.62Å; N674-D676 PolarHBondContact OD1-N 2.87Å; D676-T678 VanDerWaalsContact C-N 3.33Å; D676-T678 VanDerWaalsContact CG-OG1 3.23Å; D676-T678 VanDerWaalsContact OD1-CB 3.3Å; D676-T678 WeakPolarHBondContact OD1-CB 3.41Å; D676-T678 WeakPolarHBondContact OD1-CG2 3.37Å; D676-T678 PolarHBondContact OD1-N 2.63Å; D676-T678 PolarHBondContact OD1-OG1 3.28Å; D676-T678 PolarHBondContact OD2-OG1 3.23Å
677	E	86.6	Confident	92.7	Very high	29 Å²	29	67 Å²	67	14%	0.136	35%	0.348	C	S	.	.	S	Bend	trans	-89.3	-3.8	-178.4	-58.5	152.8	100.9	0	0	112.3	S564 T666 I704 K705 A707	S564-E677 VanDerWaalsContact OG-CB 3.32Å; S564-E677 WeakPolarHBondContact OG-CB 3.48Å; S564-E677 PolarHBondContact OG-O 3.07Å; T666-E677 WeakPolarHBondContact CG2-O 3.37Å; E677-I704 HydrophobicContact CG-CB 4.3Å; E677-I704 HydrophobicContact CG-CG2 3.97Å; E677-K705 HydrophobicContact CG-CD 4.35Å; E677-K705 HydrophobicContact CG-CG 4.43Å; E677-K705 WeakPolarHBondContact OE1-CB 3.34Å; E677-K705 WeakPolarHBondContact OE2-CD 3.23Å; E677-K705 VanDerWaalsContact OE2-CE 3.32Å; E677-K705 WeakPolarHBondContact OE2-CE 3.24Å; E677-K705 IonicContact OE2-NZ 3.82Å; E677-K705 PolarHBondContact OE2-NZ 3.27Å; E677-A707 HydrophobicContact CG-CB 4.43Å; E677-A707 WeakPolarHBondContact OE1-CB 3.22Å
678	T	88.6	Confident	92.8	Very high	49 Å²	49	65.6 Å²	65.6	30%	0.301	34%	0.344	S	S	.	.	S	Bend	trans	-86.1	-15.8	-177.4	69	0	0	0	0	113.9	S564 D676 V680	S564-T678 WeakPolarHBondContact O-CG2 3.39Å; D676-T678 VanDerWaalsContact C-N 3.33Å; D676-T678 VanDerWaalsContact CG-OG1 3.23Å; D676-T678 VanDerWaalsContact OD1-CB 3.3Å; D676-T678 WeakPolarHBondContact OD1-CB 3.41Å; D676-T678 WeakPolarHBondContact OD1-CG2 3.37Å; D676-T678 PolarHBondContact OD1-N 2.63Å; D676-T678 PolarHBondContact OD1-OG1 3.28Å; D676-T678 PolarHBondContact OD2-OG1 3.23Å; T678-V680 PolarHBondContact O-N 3.01Å
679	D	89.5	Confident	92.8	Very high	122 Å²	122	69 Å²	69	65%	0.652	37%	0.365	S	S	*	.			trans	-85.7	96.4	174.6	-171.8	17.7	0	0	0	110.1
680	V	94.8	Very high	92.9	Very high	31 Å²	31	72.4 Å²	72.4	19%	0.188	38%	0.38	C	S	.	.			trans	-112.3	137.4	-169.4	-60.7	0	0	0	0	112.9	F565 P664 L665 T666 T678 W682	F565-V680 HydrophobicContact CB-CG1 3.76Å; F565-V680 HydrophobicContact CB-CG2 4.43Å; P664-V680 HydrophobicContact CB-CB 4.21Å; P664-V680 HydrophobicContact CB-CG1 4.04Å; L665-V680 WeakPolarHBondContact O-CA 3.29Å; T666-V680 HydrophobicContact CG2-CG1 3.94Å; T678-V680 PolarHBondContact O-N 3.01Å; V680-W682 HydrophobicContact CG2-CZ2 4.24Å
681	I	95.4	Very high	93	Very high	32 Å²	32	74 Å²	74	16%	0.164	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.3	168.7	-55	173.7	0	0	0	107.6	L665 Y667 M683 M688 Q690 L692	L665-I681 HydrophobicContact CB-CB 4.39Å; L665-I681 VanDerWaalsContact CB-O 3.29Å; L665-I681 WeakPolarHBondContact CB-O 3.41Å; L665-I681 PolarHBondContact N-O 3.44Å; L665-I681 PolarHBondContact O-N 3.16Å; Y667-I681 HydrophobicContact CD1-CD1 3.92Å; Y667-I681 HydrophobicContact CE1-CD1 3.83Å; I681-M683 PolarHBondContact O-N 3.04Å; I681-M688 HydrophobicContact CG2-CE 3.85Å; I681-M688 HydrophobicContact CG2-SD 4.28Å; I681-Q690 HydrophobicContact CD1-CG 4.09Å; I681-Q690 HydrophobicContact CG2-CG 4.17Å; I681-L692 HydrophobicContact CD1-CD2 3.57Å
682	W	96.9	Very high	93.1	Very high	68 Å²	68	68.9 Å²	68.9	26%	0.258	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	111.1	-174.8	-74.9	101.4	0	0	0	112.5	F565 V607 V612 P664 V680 M684	F565-W682 HydrophobicContact CD1-CH2 4.24Å; F565-W682 HydrophobicContact CD2-CH2 4.13Å; F565-W682 HydrophobicContact CD2-CZ2 4.04Å; F565-W682 HydrophobicContact CE1-CH2 4.38Å; F565-W682 HydrophobicContact CE2-CH2 4.31Å; F565-W682 HydrophobicContact CE2-CZ2 4.47Å; F565-W682 HydrophobicContact CG-CH2 4.13Å; F565-W682 HydrophobicContact CG-CZ2 4.24Å; F565-W682 HydrophobicContact CZ-CH2 4.44Å; V607-W682 HydrophobicContact CB-CZ2 4.4Å; V607-W682 HydrophobicContact CG2-CH2 4.03Å; V607-W682 HydrophobicContact CG2-CZ2 3.73Å; V612-W682 HydrophobicContact CB-CZ3 4.47Å; V612-W682 HydrophobicContact CG1-CH2 4.04Å; V612-W682 HydrophobicContact CG1-CZ3 3.69Å; V612-W682 HydrophobicContact CG2-CH2 3.91Å; V612-W682 HydrophobicContact CG2-CZ3 3.83Å; P664-W682 HydrophobicContact CB-CE3 4.36Å; P664-W682 HydrophobicContact CB-CH2 3.98Å; P664-W682 HydrophobicContact CB-CZ2 4.44Å; P664-W682 HydrophobicContact CB-CZ3 3.93Å; P664-W682 HydrophobicContact CG-CH2 4.43Å; P664-W682 HydrophobicContact CG-CZ3 4.29Å; V680-W682 HydrophobicContact CG2-CZ2 4.24Å; W682-M684 HydrophobicContact CB-CG 4.17Å; W682-M684 HydrophobicContact CB-SD 4.01Å; W682-M684 HydrophobicContact CE3-SD 4.47Å; W682-M684 PolarHBondContact O-N 3.44Å
683	M	97.8	Very high	93	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	99.8	165.9	-177.1	177.3	-167	0	0	109.5	F637 Q639 K662 I663 L665 I681 N685 K686 M688	F637-M683 HydrophobicContact CB-CE 3.87Å; F637-M683 HydrophobicContact CB-SD 4Å; Q639-M683 HydrophobicContact CB-CE 3.99Å; Q639-M683 HydrophobicContact CB-SD 4.32Å; Q639-M683 HydrophobicContact CG-CE 3.89Å; K662-M683 WeakPolarHBondContact CA-O 3.38Å; I663-M683 HydrophobicContact CB-CB 4.26Å; I663-M683 HydrophobicContact CD1-SD 4.24Å; I663-M683 PolarHBondContact N-O 3Å; I663-M683 PolarHBondContact O-N 3.27Å; L665-M683 HydrophobicContact CD1-CB 3.82Å; L665-M683 HydrophobicContact CD1-SD 4.46Å; L665-M683 HydrophobicContact CG-CB 4.15Å; I681-M683 PolarHBondContact O-N 3.04Å; M683-N685 WeakPolarHBondContact CE-O 3.44Å; M683-N685 WeakPolarHBondContact CG-O 3Å; M683-K686 VanDerWaalsContact CE-O 3.25Å; M683-K686 WeakPolarHBondContact CE-O 3.45Å; M683-M688 HydrophobicContact CB-CE 4.28Å; M683-M688 HydrophobicContact CB-SD 4.17Å; M683-M688 HydrophobicContact CG-CB 4.2Å
684	M	96.2	Very high	93.3	Very high	94 Å²	94	65.1 Å²	65.1	46%	0.463	34%	0.341	S	S	.	.			trans	-89.3	-20.5	-173.8	-62	-64.3	-89.2	0	0	114.1	K662 W682	K662-M684 HydrophobicContact CB-SD 4.34Å; K662-M684 HydrophobicContact CD-CE 3.94Å; K662-M684 HydrophobicContact CD-SD 4Å; K662-M684 HydrophobicContact CG-SD 4.15Å; W682-M684 HydrophobicContact CB-CG 4.17Å; W682-M684 HydrophobicContact CB-SD 4.01Å; W682-M684 HydrophobicContact CE3-SD 4.47Å; W682-M684 PolarHBondContact O-N 3.44Å
685	N	96.2	Very high	93.6	Very high	111 Å²	111	61.4 Å²	61.4	59%	0.594	33%	0.327	S	S	*	.	S	Bend	trans	-128.2	175.5	-172.9	-67.3	-45.8	0	0	0	111.3	Q639 M683 T687	Q639-N685 PolarHBondContact NE2-O 3.36Å; M683-N685 WeakPolarHBondContact CE-O 3.44Å; M683-N685 WeakPolarHBondContact CG-O 3Å; N685-T687 PolarHBondContact O-N 2.84Å
686	K	97.4	Very high	93.5	Very high	111 Å²	111	66.3 Å²	66.3	48%	0.483	35%	0.352	S	S	.	.	S	Bend	trans	-57.4	-29.4	177.7	-73.8	-167.8	174.7	-174	0	114.1	V638 Q639 N658 T660 M683	V638-K686 WeakPolarHBondContact CA-O 3.37Å; Q639-K686 WeakPolarHBondContact CG-O 3.42Å; Q639-K686 PolarHBondContact N-O 2.97Å; N658-K686 PolarHBondContact O-NZ 3.03Å; T660-K686 HydrophobicContact CG2-CG 3.83Å; T660-K686 WeakPolarHBondContact OG1-CE 3.41Å; T660-K686 WeakPolarHBondContact OG1-CG 3.18Å; M683-K686 VanDerWaalsContact CE-O 3.25Å; M683-K686 WeakPolarHBondContact CE-O 3.45Å
687	T	98.2	Very high	93.4	Very high	92 Å²	92	69.3 Å²	69.3	56%	0.564	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.4	179.1	60	0	0	0	0	110.5	F637 V638 N685	F637-T687 CarbonylContact O-C 3.55Å; F637-T687 VanDerWaalsContact O-CA 3.23Å; F637-T687 WeakPolarHBondContact O-CA 3.38Å; V638-T687 HydrophobicContact CG1-CG2 4.44Å; V638-T687 HydrophobicContact CG2-CG2 4.16Å; N685-T687 PolarHBondContact O-N 2.84Å
688	M	97.2	Very high	93.7	Very high	32 Å²	32	68.9 Å²	68.9	16%	0.158	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153.2	174.5	-176.7	-177.5	75.4	0	0	109.5	F637 L665 I681 M683 Q690	F637-M688 HydrophobicContact CB-CB 4.25Å; F637-M688 HydrophobicContact CD2-CB 4.5Å; F637-M688 HydrophobicContact CD2-CE 3.59Å; F637-M688 HydrophobicContact CE2-CE 3.96Å; F637-M688 HydrophobicContact CG-CE 4Å; F637-M688 PolarHBondContact N-O 3.33Å; F637-M688 PolarHBondContact O-N 3.03Å; L665-M688 HydrophobicContact CD1-CE 3.59Å; I681-M688 HydrophobicContact CG2-CE 3.85Å; I681-M688 HydrophobicContact CG2-SD 4.28Å; M683-M688 HydrophobicContact CB-CE 4.28Å; M683-M688 HydrophobicContact CB-SD 4.17Å; M683-M688 HydrophobicContact CG-CB 4.2Å; M688-Q690 HydrophobicContact CE-CB 4.27Å
689	T	96.4	Very high	94.1	Very high	72 Å²	72	67.1 Å²	67.1	44%	0.442	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.1	169.7	-58.1	0	0	0	0	108.6	Q634 F635	Q634-T689 HydrophobicContact CG-CG2 3.23Å; F635-T689 CarbonylContact O-C 3.55Å; F635-T689 VanDerWaalsContact O-CA 3.26Å; F635-T689 WeakPolarHBondContact O-CA 3.44Å
690	Q	95.6	Very high	94.4	Very high	75 Å²	75	61.3 Å²	61.3	35%	0.35	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	137.8	-178.7	-179.3	63.2	45.2	0	0	110.3	F635 F637 I681 M688 L692	F635-Q690 PolarHBondContact N-O 3Å; F635-Q690 PolarHBondContact O-N 3.45Å; F637-Q690 HydrophobicContact CE2-CB 3.94Å; I681-Q690 HydrophobicContact CD1-CG 4.09Å; I681-Q690 HydrophobicContact CG2-CG 4.17Å; M688-Q690 HydrophobicContact CE-CB 4.27Å; Q690-L692 HydrophobicContact CB-CD2 4.47Å; Q690-L692 HydrophobicContact CG-CD2 3.58Å; Q690-L692 HydrophobicContact CG-CG 4.27Å
691	T	94.9	Very high	94.5	Very high	93 Å²	93	59.8 Å²	59.8	57%	0.571	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.7	169.8	-55.8	0	0	0	0	109.3
692	L	93.6	Very high	94.6	Very high	12 Å²	12	58.3 Å²	58.3	6%	0.063	31%	0.308	C	S	.	.			trans	-129.3	146.1	-177.6	-54.4	174.9	0	0	0	110.5	G633 F635 F637 Y667 I681 Q690 V694 F702	G633-L692 PolarHBondContact O-N 3.44Å; F635-L692 HydrophobicContact CB-CD1 4.03Å; F635-L692 HydrophobicContact CD1-CD1 4.14Å; F635-L692 HydrophobicContact CD2-CB 3.84Å; F635-L692 HydrophobicContact CD2-CD1 3.55Å; F635-L692 HydrophobicContact CD2-CG 3.77Å; F635-L692 HydrophobicContact CE2-CB 3.87Å; F635-L692 HydrophobicContact CE2-CD1 4Å; F635-L692 HydrophobicContact CE2-CG 4.26Å; F635-L692 HydrophobicContact CG-CD1 3.63Å; F635-L692 HydrophobicContact CG-CG 4.26Å; F635-L692 HydrophobicContact CZ-CD1 4.45Å; F637-L692 HydrophobicContact CZ-CD1 4.25Å; Y667-L692 HydrophobicContact CD1-CD2 4.22Å; Y667-L692 HydrophobicContact CD2-CD1 4.23Å; Y667-L692 HydrophobicContact CE1-CD2 3.87Å; Y667-L692 HydrophobicContact CE2-CB 4.06Å; Y667-L692 HydrophobicContact CE2-CD1 4.42Å; Y667-L692 HydrophobicContact CE2-CD2 4.26Å; Y667-L692 HydrophobicContact CE2-CG 4.49Å; Y667-L692 HydrophobicContact CG-CD1 4.43Å; I681-L692 HydrophobicContact CD1-CD2 3.57Å; Q690-L692 HydrophobicContact CB-CD2 4.47Å; Q690-L692 HydrophobicContact CG-CD2 3.58Å; Q690-L692 HydrophobicContact CG-CG 4.27Å; L692-V694 VanDerWaalsContact C-N 3.27Å; L692-V694 HydrophobicContact CB-CG2 4.04Å; L692-V694 PolarHBondContact O-N 3.32Å; L692-F702 HydrophobicContact CD1-CE2 4.31Å; L692-F702 HydrophobicContact CD1-CZ 3.59Å
693	D	90.2	Very high	94.6	Very high	107 Å²	107	55.1 Å²	55.1	57%	0.572	30%	0.296	S	S	*	.			trans	-79.3	78.7	172.1	-179.7	14.5	0	0	0	110.2	K671	K671-D693 IonicContact NZ-OD1 3.88Å; K671-D693 PolarHBondContact NZ-OD1 2.03Å; K671-D693 IonicContact NZ-OD2 3.39Å
694	V	92.5	Very high	94.4	Very high	8 Å²	8	55.3 Å²	55.3	5%	0.048	30%	0.297	C	S	.	.			trans	-128.6	119.3	175	-178	0	0	0	0	108.3	R629 F635 Y667 L692	R629-V694 PolarHBondContact NH1-O 3.39Å; R629-V694 VanDerWaalsContact NH2-CG1 3.27Å; F635-V694 HydrophobicContact CE2-CB 4.14Å; F635-V694 HydrophobicContact CE2-CG2 4.31Å; F635-V694 HydrophobicContact CZ-CB 3.91Å; F635-V694 HydrophobicContact CZ-CG1 4.21Å; F635-V694 HydrophobicContact CZ-CG2 4.12Å; Y667-V694 HydrophobicContact CD2-CG2 4.26Å; Y667-V694 HydrophobicContact CE2-CG2 4.04Å; L692-V694 VanDerWaalsContact C-N 3.27Å; L692-V694 HydrophobicContact CB-CG2 4.04Å; L692-V694 PolarHBondContact O-N 3.32Å
695	A	90.6	Very high	94.2	Very high	41 Å²	41	53.3 Å²	53.3	34%	0.339	29%	0.286	S	S	.	.			trans	-58.6	145	-179.6	0	0	0	0	0	111.5	R629 S698	R629-A695 PolarHBondContact NH1-O 3.47Å; A695-S698 PolarHBondContact N-OG 3.42Å; A695-S698 PolarHBondContact O-N 3.43Å; A695-S698 PolarHBondContact O-OG 3.09Å
696	E	87.3	Confident	94.2	Very high	146 Å²	146	48 Å²	48	68%	0.682	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	143.7	173.4	-67.8	-174.7	174.6	0	0	111.2	S698	E696-S698 PolarHBondContact O-N 3.5Å
697	N	86.6	Confident	94	Very high	130 Å²	130	42.8 Å²	42.8	70%	0.695	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	17.4	-178.9	-54.2	-44.6	0	0	0	115.4
698	S	93	Very high	94	Very high	20 Å²	20	38.6 Å²	38.6	14%	0.14	21%	0.21	C	C	.	.			trans	-99.5	146.7	169.5	70	0	0	0	0	110.7	R629 A695 E696	R629-S698 PolarHBondContact NH2-O 2.95Å; A695-S698 PolarHBondContact N-OG 3.42Å; A695-S698 PolarHBondContact O-N 3.43Å; A695-S698 PolarHBondContact O-OG 3.09Å; E696-S698 PolarHBondContact O-N 3.5Å
699	W	95.9	Very high	94	Very high	12 Å²	12	37.1 Å²	37.1	5%	0.045	20%	0.203	C	C	.	.			trans	-65.1	153	174.9	58.5	-96.1	0	0	0	111.2	S669 A670 W675 L701 N718 L721 L722 Q725 I733	S669-W699 VanDerWaalsContact C-CZ3 3.46Å; S669-W699 WeakPolarHBondContact O-CH2 3.31Å; A670-W699 VanDerWaalsContact CA-CZ2 3.49Å; A670-W699 HydrophobicContact CB-CZ2 4.05Å; W675-W699 AromaticContact CH2-CH2 3.91Å; W675-W699 HydrophobicContact CH2-CH2 3.91Å; W675-W699 HydrophobicContact CH2-CZ3 4.07Å; W675-W699 HydrophobicContact CZ2-CH2 4.31Å; W699-L701 HydrophobicContact CZ3-CB 4.44Å; W699-N718 VanDerWaalsContact CA-OD1 3.25Å; W699-N718 WeakPolarHBondContact CA-OD1 3.46Å; W699-L721 HydrophobicContact CB-CB 3.76Å; W699-L722 HydrophobicContact CB-CD2 3.92Å; W699-L722 HydrophobicContact CB-CG 4.16Å; W699-L722 HydrophobicContact CD2-CD2 4.16Å; W699-L722 HydrophobicContact CE3-CD2 3.89Å; W699-L722 HydrophobicContact CG-CD2 4.2Å; W699-Q725 HydrophobicContact CG-CB 4.31Å; W699-Q725 HydrophobicContact CZ2-CG 4.16Å; W699-Q725 VanDerWaalsContact NE1-CG 3.26Å; W699-I733 HydrophobicContact CH2-CG1 3.9Å; W699-I733 HydrophobicContact CZ2-CG1 4.1Å; W699-I733 HydrophobicContact CZ3-CG1 4.27Å
700	Y	95.8	Very high	94.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	158.1	170.7	64.4	-86	0	0	0	110.6	V627 R629 F635 G668 F702 Y714 D716 N718	V627-Y700 HydrophobicContact CB-CE2 4.06Å; V627-Y700 HydrophobicContact CG1-CE2 3.58Å; V627-Y700 PolarHBondContact O-OH 2.99Å; R629-Y700 HydrophobicContact CB-CE1 4.47Å; F635-Y700 HydrophobicContact CD1-CE2 4.25Å; F635-Y700 AromaticContact CE1-CD1 3.8Å; F635-Y700 HydrophobicContact CE1-CD1 3.8Å; F635-Y700 AromaticContact CE1-CD2 3.96Å; F635-Y700 HydrophobicContact CE1-CD2 3.96Å; F635-Y700 AromaticContact CE1-CE1 3.7Å; F635-Y700 HydrophobicContact CE1-CE1 3.7Å; F635-Y700 AromaticContact CE1-CE2 3.87Å; F635-Y700 HydrophobicContact CE1-CE2 3.87Å; F635-Y700 AromaticContact CE1-CG 3.91Å; F635-Y700 HydrophobicContact CE1-CG 3.91Å; F635-Y700 AromaticContact CE1-CZ 3.73Å; F635-Y700 HydrophobicContact CZ-CD1 4.31Å; F635-Y700 HydrophobicContact CZ-CG 4.45Å; G668-Y700 CarbonylContact O-C 3.54Å; G668-Y700 WeakPolarHBondContact O-CA 3.49Å; Y700-F702 AromaticContact CD2-CD2 3.73Å; Y700-F702 HydrophobicContact CD2-CD2 3.73Å; Y700-F702 AromaticContact CD2-CE2 3.56Å; Y700-F702 HydrophobicContact CD2-CE2 3.56Å; Y700-F702 HydrophobicContact CE2-CD2 4Å; Y700-F702 AromaticContact CE2-CE2 3.87Å; Y700-F702 HydrophobicContact CE2-CE2 3.87Å; Y700-Y714 HydrophobicContact CD2-CD1 4.08Å; Y700-Y714 AromaticContact CD2-CE1 3.99Å; Y700-Y714 HydrophobicContact CD2-CE1 3.99Å; Y700-Y714 AromaticContact CE2-CD1 3.38Å; Y700-Y714 HydrophobicContact CE2-CD1 3.38Å; Y700-Y714 AromaticContact CE2-CE1 3.7Å; Y700-Y714 HydrophobicContact CE2-CE1 3.7Å; Y700-Y714 HydrophobicContact CE2-CG 4.48Å; Y700-Y714 AromaticContact CZ-CD1 3.87Å; Y700-D716 PolarHBondContact OH-OD1 3.49Å; Y700-D716 PolarHBondContact OH-OD2 2.79Å; Y700-D716 VanDerWaalsContact OH-OD2 3.04Å; Y700-N718 HydrophobicContact CD1-CB 4.21Å; Y700-N718 WeakPolarHBondContact CD1-OD1 3.34Å; Y700-N718 HydrophobicContact CE1-CB 3.65Å; Y700-N718 VanDerWaalsContact CE1-CG 3.45Å; Y700-N718 WeakPolarHBondContact CE1-OD1 3.42Å; Y700-N718 PolarHBondContact N-OD1 2.87Å; Y700-N718 PolarHBondContact O-ND2 3.42Å; Y700-N718 PolarHBondContact O-OD1 3.32Å
701	L	96.6	Very high	94.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	138.5	-176.8	176.6	78.1	0	0	0	109	Y667 G668 W675 W699 S737 I741	Y667-L701 CarbonylContact C-O 3.59Å; Y667-L701 WeakPolarHBondContact CA-O 3.46Å; Y667-L701 WeakPolarHBondContact CB-O 3.36Å; G668-L701 PolarHBondContact N-O 2.58Å; G668-L701 PolarHBondContact O-N 3.27Å; W675-L701 HydrophobicContact CZ3-CD2 4.03Å; W699-L701 HydrophobicContact CZ3-CB 4.44Å; L701-S737 VanDerWaalsContact CD2-OG 3.25Å; L701-S737 WeakPolarHBondContact CD2-OG 3.36Å; L701-I741 HydrophobicContact CD1-CD1 4.02Å; L701-I741 HydrophobicContact CD1-CG1 3.91Å
702	F	97.6	Very high	94.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	160.2	170.4	-82.6	-94.7	0	0	0	111.8	V627 F637 L665 T666 Y667 L692 Y700 V712 Y714 Q740	V627-F702 HydrophobicContact CG1-CD2 4.23Å; V627-F702 HydrophobicContact CG1-CE2 3.86Å; V627-F702 HydrophobicContact CG1-CZ 4.47Å; V627-F702 HydrophobicContact CG2-CD2 4.03Å; V627-F702 HydrophobicContact CG2-CE2 4.4Å; V627-F702 HydrophobicContact CG2-CG 4.3Å; F637-F702 HydrophobicContact CE1-CD1 4Å; F637-F702 AromaticContact CE1-CE1 3.36Å; F637-F702 HydrophobicContact CE1-CE1 3.36Å; F637-F702 AromaticContact CE1-CE2 3.98Å; F637-F702 HydrophobicContact CE1-CE2 3.98Å; F637-F702 AromaticContact CE1-CZ 3.37Å; F637-F702 HydrophobicContact CE1-CZ 3.37Å; F637-F702 AromaticContact CZ-CE1 3.66Å; F637-F702 HydrophobicContact CZ-CE1 3.66Å; F637-F702 HydrophobicContact CZ-CE2 4.2Å; F637-F702 AromaticContact CZ-CZ 3.38Å; F637-F702 HydrophobicContact CZ-CZ 3.38Å; L665-F702 HydrophobicContact CB-CD1 4.25Å; L665-F702 HydrophobicContact CB-CE1 4.36Å; T666-F702 CarbonylContact O-C 3.56Å; T666-F702 VanDerWaalsContact O-CA 3.28Å; T666-F702 WeakPolarHBondContact O-CA 3.45Å; T666-F702 WeakPolarHBondContact O-CD1 3.27Å; Y667-F702 VanDerWaalsContact CB-CE1 3.49Å; Y667-F702 HydrophobicContact CG-CE1 4.34Å; Y667-F702 HydrophobicContact CG-CZ 4.24Å; L692-F702 HydrophobicContact CD1-CE2 4.31Å; L692-F702 HydrophobicContact CD1-CZ 3.59Å; Y700-F702 AromaticContact CD2-CD2 3.73Å; Y700-F702 HydrophobicContact CD2-CD2 3.73Å; Y700-F702 AromaticContact CD2-CE2 3.56Å; Y700-F702 HydrophobicContact CD2-CE2 3.56Å; Y700-F702 HydrophobicContact CE2-CD2 4Å; Y700-F702 AromaticContact CE2-CE2 3.87Å; Y700-F702 HydrophobicContact CE2-CE2 3.87Å; F702-V712 HydrophobicContact CB-CG1 4.1Å; F702-V712 HydrophobicContact CB-CG2 4.09Å; F702-Y714 HydrophobicContact CB-CE1 4.49Å; F702-Y714 HydrophobicContact CD2-CE1 4.16Å; F702-Y714 PolarHBondContact N-OH 3.31Å; F702-Q740 PolarHBondContact O-NE2 3.25Å
703	N	97.4	Very high	94.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.141	C	C	.	.	S	Bend	trans	63.8	58	-175.3	-163.9	17.7	0	0	0	111.2	T666 K705 Q706 A707 G708 Y710 V712 Q740	T666-N703 PolarHBondContact O-N 3.48Å; N703-K705 PolarHBondContact O-N 3.33Å; N703-Q706 WeakPolarHBondContact O-CA 3.37Å; N703-Q706 PolarHBondContact O-N 2.87Å; N703-A707 PolarHBondContact OD1-N 3.12Å; N703-G708 PolarHBondContact ND2-O 3.18Å; N703-G708 VanDerWaalsContact OD1-CA 3.3Å; N703-G708 WeakPolarHBondContact OD1-CA 3.17Å; N703-G708 PolarHBondContact OD1-N 3.47Å; N703-Y710 HydrophobicContact CB-CD2 4.48Å; N703-Y710 HydrophobicContact CB-CE2 3.62Å; N703-Y710 WeakPolarHBondContact CB-OH 3.18Å; N703-Y710 PolarHBondContact ND2-O 2.83Å; N703-V712 HydrophobicContact CB-CG2 4.01Å; N703-Q740 PolarHBondContact O-OE1 2.92Å
704	I	94.3	Very high	95	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-48.3	132	-178.6	-61	175.6	0	0	0	110.2	T666 Y667 W675 E677 Q706 A707	T666-I704 PolarHBondContact OG1-N 3.41Å; Y667-I704 WeakPolarHBondContact O-CD1 3.19Å; W675-I704 HydrophobicContact CB-CG2 4.06Å; W675-I704 HydrophobicContact CE3-CD1 4.18Å; W675-I704 HydrophobicContact CE3-CG1 4.2Å; W675-I704 HydrophobicContact CE3-CG2 3.97Å; E677-I704 HydrophobicContact CG-CB 4.3Å; E677-I704 HydrophobicContact CG-CG2 3.97Å; I704-Q706 PolarHBondContact O-N 2.95Å; I704-Q706 VanDerWaalsContact O-N 3.11Å; I704-A707 PolarHBondContact O-N 2.86Å
705	K	90.3	Very high	94.9	Very high	52 Å²	52	22.5 Å²	22.5	23%	0.226	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	53	20.7	-174.2	-52.8	-175.4	-155.6	157.6	0	116.2	E677 N703 A707 H736 S737	E677-K705 HydrophobicContact CG-CD 4.35Å; E677-K705 HydrophobicContact CG-CG 4.43Å; E677-K705 WeakPolarHBondContact OE1-CB 3.34Å; E677-K705 WeakPolarHBondContact OE2-CD 3.23Å; E677-K705 VanDerWaalsContact OE2-CE 3.32Å; E677-K705 WeakPolarHBondContact OE2-CE 3.24Å; E677-K705 IonicContact OE2-NZ 3.82Å; E677-K705 PolarHBondContact OE2-NZ 3.27Å; N703-K705 PolarHBondContact O-N 3.33Å; K705-A707 PolarHBondContact O-N 2.69Å; K705-H736 VanDerWaalsContact CA-CB 3.42Å; K705-H736 HydrophobicContact CB-CB 3.55Å; K705-H736 HydrophobicContact CG-CB 3.89Å; K705-S737 PolarHBondContact N-OG 3.13Å
706	Q	95.9	Very high	94.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	57.2	29.5	-175.5	-152.7	172.2	9	0	0	113	L514 I518 N703 I704 G708 Q740	L514-Q706 HydrophobicContact CD2-CB 3.95Å; L514-Q706 HydrophobicContact CG-CB 4.08Å; I518-Q706 WeakPolarHBondContact CD1-O 3.39Å; I518-Q706 HydrophobicContact CG2-CG 4.13Å; N703-Q706 WeakPolarHBondContact O-CA 3.37Å; N703-Q706 PolarHBondContact O-N 2.87Å; I704-Q706 PolarHBondContact O-N 2.95Å; I704-Q706 VanDerWaalsContact O-N 3.11Å; Q706-G708 VanDerWaalsContact C-N 3.26Å; Q706-G708 PolarHBondContact O-N 3.37Å; Q706-Q740 HydrophobicContact CB-CB 4.06Å; Q706-Q740 HydrophobicContact CB-CG 4.12Å; Q706-Q740 HydrophobicContact CG-CB 4.14Å; Q706-Q740 HydrophobicContact CG-CG 3.79Å
707	A	95.1	Very high	95.1	Very high	2 Å²	2	19.3 Å²	19.3	2%	0.017	11%	0.106	C	C	.	.			trans	-62.4	-32.4	-175	0	0	0	0	0	113.7	M561 S564 E677 N703 I704 K705	M561-A707 VanDerWaalsContact CA-O 3.23Å; M561-A707 WeakPolarHBondContact CA-O 3.46Å; M561-A707 VanDerWaalsContact CB-O 3.3Å; M561-A707 WeakPolarHBondContact CB-O 3.47Å; S564-A707 WeakPolarHBondContact OG-CB 3.45Å; E677-A707 HydrophobicContact CG-CB 4.43Å; E677-A707 WeakPolarHBondContact OE1-CB 3.22Å; N703-A707 PolarHBondContact OD1-N 3.12Å; I704-A707 PolarHBondContact O-N 2.86Å; K705-A707 PolarHBondContact O-N 2.69Å
708	G	96.7	Very high	95.6	Very high	4 Å²	4	13.1 Å²	13.1	4%	0.041	7%	0.073	C	C	.	.	S	Bend	trans	-88.9	143.5	177.8	0	0	0	0	0	113	N703 Q706 Y710	N703-G708 PolarHBondContact ND2-O 3.18Å; N703-G708 VanDerWaalsContact OD1-CA 3.3Å; N703-G708 WeakPolarHBondContact OD1-CA 3.17Å; N703-G708 PolarHBondContact OD1-N 3.47Å; Q706-G708 VanDerWaalsContact C-N 3.26Å; Q706-G708 PolarHBondContact O-N 3.37Å; G708-Y710 PolarHBondContact O-N 3.03Å
709	F	98.3	Very high	95.8	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	7%	0.068	C	C	.	.	S	Bend	trans	-80.4	58.3	-179.5	-168.3	-110.2	0	0	0	112.7	V521 L522 D525 K554 W616 Y622	V521-F709 HydrophobicContact CG1-CD2 4.45Å; V521-F709 HydrophobicContact CG1-CE2 3.34Å; V521-F709 HydrophobicContact CG1-CZ 3.69Å; L522-F709 HydrophobicContact CD2-CD2 4.07Å; L522-F709 HydrophobicContact CD2-CE1 4.34Å; L522-F709 HydrophobicContact CD2-CE2 3.64Å; L522-F709 HydrophobicContact CD2-CZ 3.81Å; L522-F709 HydrophobicContact CG-CD2 4.42Å; L522-F709 HydrophobicContact CG-CE2 3.82Å; L522-F709 HydrophobicContact CG-CZ 4.29Å; D525-F709 HydrophobicContact CB-CZ 4.45Å; K554-F709 HydrophobicContact CB-CE1 4.5Å; K554-F709 HydrophobicContact CB-CZ 4.27Å; K554-F709 HydrophobicContact CD-CD1 4.35Å; K554-F709 HydrophobicContact CD-CE1 3.66Å; K554-F709 HydrophobicContact CD-CZ 4.15Å; K554-F709 HydrophobicContact CG-CD1 4.15Å; K554-F709 HydrophobicContact CG-CE1 3.72Å; K554-F709 HydrophobicContact CG-CZ 3.98Å; W616-F709 HydrophobicContact CE3-CB 4.48Å; W616-F709 HydrophobicContact CE3-CD1 4.41Å; W616-F709 HydrophobicContact CZ3-CB 4.16Å; W616-F709 HydrophobicContact CZ3-CD1 4.32Å; W616-F709 WeakPolarHBondContact CZ3-O 3.25Å; Y622-F709 WeakPolarHBondContact CB-O 2.97Å; Y622-F709 AromaticContact CD1-CE1 3.89Å; Y622-F709 HydrophobicContact CD1-CE1 3.89Å; Y622-F709 HydrophobicContact CD1-CZ 4.17Å; Y622-F709 HydrophobicContact CG-CE1 4.16Å
710	Y	98.5	Very high	95.9	Very high	1 Å²	1	17.8 Å²	17.8	0%	0.004	9%	0.092	C	C	.	.	S	Bend	trans	-151.2	160.9	179.8	59.1	-90	0	0	0	111.6	W616 P623 V625 I663 P664 L665 N703 G708 V712	W616-Y710 HydrophobicContact CH2-CD1 4.08Å; P623-Y710 WeakPolarHBondContact O-CB 3.22Å; V625-Y710 HydrophobicContact CB-CD2 4.16Å; V625-Y710 HydrophobicContact CB-CE2 4.38Å; V625-Y710 HydrophobicContact CG2-CD2 3.55Å; V625-Y710 HydrophobicContact CG2-CE2 3.91Å; V625-Y710 HydrophobicContact CG2-CG 4.2Å; I663-Y710 HydrophobicContact CG2-CD1 3.68Å; I663-Y710 HydrophobicContact CG2-CE1 3.42Å; I663-Y710 VanDerWaalsContact CG2-CE1 3.42Å; I663-Y710 HydrophobicContact CG2-CE2 4.35Å; I663-Y710 HydrophobicContact CG2-CG 4.26Å; P664-Y710 PolarHBondContact O-OH 3.07Å; L665-Y710 HydrophobicContact CD2-CE2 4.23Å; N703-Y710 HydrophobicContact CB-CD2 4.48Å; N703-Y710 HydrophobicContact CB-CE2 3.62Å; N703-Y710 WeakPolarHBondContact CB-OH 3.18Å; N703-Y710 PolarHBondContact ND2-O 2.83Å; G708-Y710 PolarHBondContact O-N 3.03Å; Y710-V712 HydrophobicContact CD2-CG2 4.05Å; Y710-V712 HydrophobicContact CE2-CG2 3.81Å
711	R	98.2	Very high	95.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	150.9	174.8	-63.8	-170.7	171.9	-77.1	2.2	110.7	L522 Y622 P623 L624 V625 Y642 D743 D744 N747	L522-R711 HydrophobicContact CD1-CG 4.34Å; Y622-R711 HydrophobicContact CE2-CB 4.47Å; Y622-R711 HydrophobicContact CE2-CG 3.8Å; Y622-R711 PolarHBondContact OH-NE 2.7Å; P623-R711 PolarHBondContact O-N 3.08Å; L624-R711 HydrophobicContact CD1-CB 3.95Å; V625-R711 PolarHBondContact N-O 3.01Å; Y642-R711 HydrophobicContact CD2-CB 4.38Å; Y642-R711 HydrophobicContact CE2-CB 4.4Å; Y642-R711 HydrophobicContact CE2-CG 4.49Å; R711-D743 IonicContact CZ-OD2 2.83Å; R711-D743 VanDerWaalsContact CZ-OD2 3.22Å; R711-D743 IonicContact NH1-OD2 3.72Å; R711-D743 PolarHBondContact NH1-OD2 3.07Å; R711-D743 IonicContact NH2-OD1 3.23Å; R711-D743 IonicContact NH2-OD2 3.41Å; R711-D743 PolarHBondContact NH2-OD2 3.43Å; R711-D744 WeakPolarHBondContact CB-OD1 3.45Å; R711-D744 VanDerWaalsContact CG-OD1 3.25Å; R711-D744 WeakPolarHBondContact CG-OD1 3.35Å; R711-D744 IonicContact CZ-OD1 2.64Å; R711-D744 IonicContact NH1-OD1 3.91Å; R711-D744 PolarHBondContact NH1-OD1 3.35Å; R711-N747 PolarHBondContact NH2-ND2 2.87Å; R711-N747 VanDerWaalsContact NH2-ND2 3.18Å
712	V	98.6	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.3	178.4	-174.2	0	0	0	0	111.1	V625 V627 F702 N703 Y710 Y714 D744 L748	V625-V712 WeakPolarHBondContact O-CA 3.48Å; V627-V712 HydrophobicContact CG2-CG1 4.08Å; F702-V712 HydrophobicContact CB-CG1 4.1Å; F702-V712 HydrophobicContact CB-CG2 4.09Å; N703-V712 HydrophobicContact CB-CG2 4.01Å; Y710-V712 HydrophobicContact CD2-CG2 4.05Å; Y710-V712 HydrophobicContact CE2-CG2 3.81Å; V712-Y714 HydrophobicContact CG1-CD1 4.03Å; V712-Y714 HydrophobicContact CG1-CE1 3.44Å; V712-Y714 VanDerWaalsContact CG1-CE1 3.44Å; V712-Y714 HydrophobicContact CG1-CE2 4.12Å; V712-Y714 VanDerWaalsContact CG1-CZ 3.47Å; V712-D744 PolarHBondContact N-OD2 2.87Å; V712-L748 WeakPolarHBondContact O-CD1 3.26Å
713	H	98.2	Very high	96	Very high	25 Å²	25	20.2 Å²	20.2	12%	0.116	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.8	168.5	173.1	46.2	0	0	0	110.6	L624 V625 I626 V627 W719 L748	L624-H713 HydrophobicContact CD1-CB 3.9Å; L624-H713 HydrophobicContact CD2-CB 4.22Å; L624-H713 HydrophobicContact CG-CB 4.22Å; V625-H713 PolarHBondContact O-N 3.37Å; I626-H713 CarbonylContact C-O 3.36Å; I626-H713 VanDerWaalsContact CA-O 3.27Å; I626-H713 WeakPolarHBondContact CA-O 3.25Å; I626-H713 HydrophobicContact CG1-CB 4.4Å; V627-H713 PolarHBondContact N-O 2.85Å; H713-W719 AromaticContact ND1-NE1 3.57Å; H713-L748 HydrophobicContact CB-CD1 3.81Å; H713-L748 HydrophobicContact CB-CD2 4.04Å
714	Y	97.6	Very high	96.1	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.012	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117	169.7	-46.7	-71.7	0	0	0	109.6	V627 Y700 F702 V712 N718 W719 L722	V627-Y714 HydrophobicContact CB-CD1 4.27Å; Y700-Y714 HydrophobicContact CD2-CD1 4.08Å; Y700-Y714 AromaticContact CD2-CE1 3.99Å; Y700-Y714 HydrophobicContact CD2-CE1 3.99Å; Y700-Y714 AromaticContact CE2-CD1 3.38Å; Y700-Y714 HydrophobicContact CE2-CD1 3.38Å; Y700-Y714 AromaticContact CE2-CE1 3.7Å; Y700-Y714 HydrophobicContact CE2-CE1 3.7Å; Y700-Y714 HydrophobicContact CE2-CG 4.48Å; Y700-Y714 AromaticContact CZ-CD1 3.87Å; F702-Y714 HydrophobicContact CB-CE1 4.49Å; F702-Y714 HydrophobicContact CD2-CE1 4.16Å; F702-Y714 PolarHBondContact N-OH 3.31Å; V712-Y714 HydrophobicContact CG1-CD1 4.03Å; V712-Y714 HydrophobicContact CG1-CE1 3.44Å; V712-Y714 VanDerWaalsContact CG1-CE1 3.44Å; V712-Y714 HydrophobicContact CG1-CE2 4.12Å; V712-Y714 VanDerWaalsContact CG1-CZ 3.47Å; Y714-N718 WeakPolarHBondContact CD1-ND2 3.33Å; Y714-N718 WeakPolarHBondContact CD2-ND2 3.45Å; Y714-N718 HydrophobicContact CG-CB 4.21Å; Y714-W719 AromaticContact CD2-CD2 3.93Å; Y714-W719 HydrophobicContact CD2-CD2 3.93Å; Y714-W719 AromaticContact CD2-CE2 3.6Å; Y714-W719 HydrophobicContact CD2-CE3 4.12Å; Y714-W719 AromaticContact CD2-CH2 3.75Å; Y714-W719 HydrophobicContact CD2-CH2 3.75Å; Y714-W719 AromaticContact CD2-CZ2 3.52Å; Y714-W719 HydrophobicContact CD2-CZ2 3.52Å; Y714-W719 HydrophobicContact CD2-CZ3 4.03Å; Y714-W719 AromaticContact CE2-CH2 3.81Å; Y714-W719 HydrophobicContact CE2-CH2 3.81Å; Y714-W719 HydrophobicContact CE2-CZ2 4.02Å; Y714-W719 HydrophobicContact CE2-CZ3 4.09Å; Y714-W719 HydrophobicContact CG-CZ2 4.49Å; Y714-W719 PolarHBondContact O-NE1 3.13Å; Y714-L722 HydrophobicContact CD2-CD1 3.98Å; Y714-L722 HydrophobicContact CE2-CD1 3.77Å
715	A	90.1	Very high	96.2	Very high	31 Å²	31	27.4 Å²	27.4	26%	0.256	14%	0.14	S	C	.	.			trans	-101.1	15.9	-171.7	0	0	0	0	0	114	I626 V627 R628	I626-A715 HydrophobicContact CG2-CB 3.65Å; V627-A715 PolarHBondContact O-N 2.96Å; R628-A715 HydrophobicContact CG-CB 3.69Å
716	D	88.5	Confident	96.6	Very high	43 Å²	43	25 Å²	25	23%	0.23	13%	0.129	C	C	.	.	S	Bend	trans	-115.7	-167.2	166.9	55.7	9.4	0	0	0	109.6	R629 Y700 N718	R629-D716 WeakPolarHBondContact CB-OD2 3.33Å; R629-D716 PolarHBondContact N-OD2 2.92Å; R629-D716 VanDerWaalsContact N-OD2 3.08Å; Y700-D716 PolarHBondContact OH-OD1 3.49Å; Y700-D716 PolarHBondContact OH-OD2 2.79Å; Y700-D716 VanDerWaalsContact OH-OD2 3.04Å; D716-N718 PolarHBondContact O-N 2.8Å; D716-N718 WeakPolarHBondContact OD1-CB 3.26Å; D716-N718 PolarHBondContact OD1-N 3.31Å
717	N	93.2	Very high	96.7	Very high	76 Å²	76	31.4 Å²	31.4	41%	0.406	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	11.6	-179.4	68.8	-18.2	0	0	0	114.2	W719 E720 L721	N717-W719 VanDerWaalsContact C-N 3.26Å; N717-W719 PolarHBondContact O-N 3.12Å; N717-E720 WeakPolarHBondContact CB-OE2 3.44Å; N717-E720 WeakPolarHBondContact O-CB 3.27Å; N717-E720 PolarHBondContact O-N 3.31Å; N717-L721 PolarHBondContact O-N 3.34Å
718	N	97.1	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-27	-175.1	-172.9	64.2	0	0	0	113.7	W699 Y700 Y714 D716 E720 L721 L722	W699-N718 VanDerWaalsContact CA-OD1 3.25Å; W699-N718 WeakPolarHBondContact CA-OD1 3.46Å; Y700-N718 HydrophobicContact CD1-CB 4.21Å; Y700-N718 WeakPolarHBondContact CD1-OD1 3.34Å; Y700-N718 HydrophobicContact CE1-CB 3.65Å; Y700-N718 VanDerWaalsContact CE1-CG 3.45Å; Y700-N718 WeakPolarHBondContact CE1-OD1 3.42Å; Y700-N718 PolarHBondContact N-OD1 2.87Å; Y700-N718 PolarHBondContact O-ND2 3.42Å; Y700-N718 PolarHBondContact O-OD1 3.32Å; Y714-N718 WeakPolarHBondContact CD1-ND2 3.33Å; Y714-N718 WeakPolarHBondContact CD2-ND2 3.45Å; Y714-N718 HydrophobicContact CG-CB 4.21Å; D716-N718 PolarHBondContact O-N 2.8Å; D716-N718 WeakPolarHBondContact OD1-CB 3.26Å; D716-N718 PolarHBondContact OD1-N 3.31Å; N718-E720 VanDerWaalsContact C-N 3.28Å; N718-E720 PolarHBondContact O-N 3.43Å; N718-L721 PolarHBondContact O-N 3.23Å; N718-L722 WeakPolarHBondContact O-CB 3.41Å; N718-L722 WeakPolarHBondContact O-CG 3.3Å; N718-L722 PolarHBondContact O-N 2.9Å
719	W	97.6	Very high	96.9	Very high	13 Å²	13	42.7 Å²	42.7	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-36.5	171.6	-71.3	113.8	0	0	0	112.7	H713 Y714 N717 L722 T723 I741 D744 L745 L748 V758	H713-W719 AromaticContact ND1-NE1 3.57Å; Y714-W719 AromaticContact CD2-CD2 3.93Å; Y714-W719 HydrophobicContact CD2-CD2 3.93Å; Y714-W719 AromaticContact CD2-CE2 3.6Å; Y714-W719 HydrophobicContact CD2-CE3 4.12Å; Y714-W719 AromaticContact CD2-CH2 3.75Å; Y714-W719 HydrophobicContact CD2-CH2 3.75Å; Y714-W719 AromaticContact CD2-CZ2 3.52Å; Y714-W719 HydrophobicContact CD2-CZ2 3.52Å; Y714-W719 HydrophobicContact CD2-CZ3 4.03Å; Y714-W719 AromaticContact CE2-CH2 3.81Å; Y714-W719 HydrophobicContact CE2-CH2 3.81Å; Y714-W719 HydrophobicContact CE2-CZ2 4.02Å; Y714-W719 HydrophobicContact CE2-CZ3 4.09Å; Y714-W719 HydrophobicContact CG-CZ2 4.49Å; Y714-W719 PolarHBondContact O-NE1 3.13Å; N717-W719 VanDerWaalsContact C-N 3.26Å; N717-W719 PolarHBondContact O-N 3.12Å; W719-L722 HydrophobicContact CE3-CD1 4.2Å; W719-L722 HydrophobicContact CZ3-CD1 4.36Å; W719-T723 WeakPolarHBondContact O-CB 3.39Å; W719-T723 PolarHBondContact O-N 3.05Å; W719-T723 PolarHBondContact O-OG1 2.72Å; W719-I741 HydrophobicContact CZ3-CG2 4.22Å; W719-D744 HydrophobicContact CH2-CB 4.41Å; W719-L745 HydrophobicContact CD2-CD1 3.83Å; W719-L745 HydrophobicContact CE3-CB 4.31Å; W719-L745 HydrophobicContact CE3-CD1 3.97Å; W719-L745 HydrophobicContact CE3-CD2 4.07Å; W719-L745 HydrophobicContact CE3-CG 4.34Å; W719-L745 HydrophobicContact CG-CD1 4.34Å; W719-L745 HydrophobicContact CH2-CB 4.08Å; W719-L745 HydrophobicContact CH2-CD1 4.38Å; W719-L745 HydrophobicContact CZ2-CD1 4.26Å; W719-L745 HydrophobicContact CZ3-CB 3.86Å; W719-L745 HydrophobicContact CZ3-CD1 4.24Å; W719-L745 HydrophobicContact CZ3-CD2 4.41Å; W719-L745 HydrophobicContact CZ3-CG 4.39Å; W719-L748 HydrophobicContact CH2-CD1 4.35Å; W719-L748 HydrophobicContact CZ2-CD1 3.61Å; W719-V758 HydrophobicContact CB-CG1 3.97Å
720	E	97.4	Very high	96.8	Very high	118 Å²	118	43.2 Å²	43.2	55%	0.551	21%	0.208	S	C	*	.	H	α-helix	trans	-68.5	-45.5	176.2	-61.7	167.4	173.9	0	0	109.6	N717 N718 L722 T723 E724	N717-E720 WeakPolarHBondContact CB-OE2 3.44Å; N717-E720 WeakPolarHBondContact O-CB 3.27Å; N717-E720 PolarHBondContact O-N 3.31Å; N718-E720 VanDerWaalsContact C-N 3.28Å; N718-E720 PolarHBondContact O-N 3.43Å; E720-L722 PolarHBondContact O-N 3.21Å; E720-T723 WeakPolarHBondContact O-CB 3.15Å; E720-T723 PolarHBondContact O-N 2.72Å; E720-T723 VanDerWaalsContact O-N 3.13Å; E720-E724 WeakPolarHBondContact O-CG 3.19Å; E720-E724 PolarHBondContact O-N 2.87Å
721	L	97.4	Very high	96.7	Very high	25 Å²	25	51 Å²	51	13%	0.131	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-40.6	176.9	-60.8	175.2	0	0	0	112.7	W699 N717 N718 E724 Q725	W699-L721 HydrophobicContact CB-CB 3.76Å; N717-L721 PolarHBondContact O-N 3.34Å; N718-L721 PolarHBondContact O-N 3.23Å; L721-E724 PolarHBondContact O-N 2.68Å; L721-Q725 WeakPolarHBondContact O-CB 3.26Å; L721-Q725 PolarHBondContact O-N 3.44Å
722	L	98.3	Very high	96.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-41.6	173.5	-74.4	171.7	0	0	0	111.2	W699 Y714 N718 W719 E720 Q725 L726 I733 I741	W699-L722 HydrophobicContact CB-CD2 3.92Å; W699-L722 HydrophobicContact CB-CG 4.16Å; W699-L722 HydrophobicContact CD2-CD2 4.16Å; W699-L722 HydrophobicContact CE3-CD2 3.89Å; W699-L722 HydrophobicContact CG-CD2 4.2Å; Y714-L722 HydrophobicContact CD2-CD1 3.98Å; Y714-L722 HydrophobicContact CE2-CD1 3.77Å; N718-L722 WeakPolarHBondContact O-CB 3.41Å; N718-L722 WeakPolarHBondContact O-CG 3.3Å; N718-L722 PolarHBondContact O-N 2.9Å; W719-L722 HydrophobicContact CE3-CD1 4.2Å; W719-L722 HydrophobicContact CZ3-CD1 4.36Å; E720-L722 PolarHBondContact O-N 3.21Å; L722-Q725 PolarHBondContact O-N 3.44Å; L722-L726 WeakPolarHBondContact O-CG 3.48Å; L722-L726 PolarHBondContact O-N 2.73Å; L722-I733 HydrophobicContact CD2-CD1 3.93Å; L722-I741 HydrophobicContact CD1-CD1 4.47Å; L722-I741 HydrophobicContact CD1-CG1 4.5Å; L722-I741 HydrophobicContact CD2-CD1 4.15Å
723	T	98.4	Very high	96.4	Very high	25 Å²	25	53 Å²	53	15%	0.153	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-46.1	176.5	-61.5	0	0	0	0	111.3	W719 E720 L726 Y727 L762	W719-T723 WeakPolarHBondContact O-CB 3.39Å; W719-T723 PolarHBondContact O-N 3.05Å; W719-T723 PolarHBondContact O-OG1 2.72Å; E720-T723 WeakPolarHBondContact O-CB 3.15Å; E720-T723 PolarHBondContact O-N 2.72Å; E720-T723 VanDerWaalsContact O-N 3.13Å; T723-L726 PolarHBondContact O-N 3.49Å; T723-Y727 WeakPolarHBondContact O-CB 3.41Å; T723-Y727 PolarHBondContact O-N 3.46Å; T723-L762 WeakPolarHBondContact OG1-CD1 3.43Å
724	E	98.1	Very high	96.3	Very high	127 Å²	127	53 Å²	53	59%	0.593	26%	0.255	S	S	*	.	H	α-helix	trans	-61	-44	175.8	-73.4	178.3	-177.1	0	0	111.8	E720 L721 Y727 K728	E720-E724 WeakPolarHBondContact O-CG 3.19Å; E720-E724 PolarHBondContact O-N 2.87Å; L721-E724 PolarHBondContact O-N 2.68Å; E724-Y727 PolarHBondContact O-N 3.19Å; E724-K728 VanDerWaalsContact O-CB 3.25Å; E724-K728 WeakPolarHBondContact O-CB 3.4Å; E724-K728 PolarHBondContact O-N 3.46Å
725	Q	97.8	Very high	96.2	Very high	30 Å²	30	54.5 Å²	54.5	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-47.8	177	-180	62.4	57.4	0	0	111.6	W699 L721 L722 Y727 K728 D729 I733	W699-Q725 HydrophobicContact CG-CB 4.31Å; W699-Q725 HydrophobicContact CZ2-CG 4.16Å; W699-Q725 VanDerWaalsContact NE1-CG 3.26Å; L721-Q725 WeakPolarHBondContact O-CB 3.26Å; L721-Q725 PolarHBondContact O-N 3.44Å; L722-Q725 PolarHBondContact O-N 3.44Å; Q725-Y727 VanDerWaalsContact C-N 3.28Å; Q725-Y727 PolarHBondContact O-N 2.92Å; Q725-K728 PolarHBondContact O-N 3.14Å; Q725-D729 PolarHBondContact NE2-O 3.49Å; Q725-D729 CarbonylContact O-C 3.48Å; Q725-D729 WeakPolarHBondContact O-CA 3.48Å; Q725-D729 PolarHBondContact O-N 2.99Å; Q725-I733 HydrophobicContact CG-CD1 4.05Å; Q725-I733 HydrophobicContact CG-CG1 4.35Å
726	L	98.4	Very high	96.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-37.7	179.5	-68.4	172.1	0	0	0	111.5	L722 T723 H730 I733 R738 I741 L762 Y765	L722-L726 WeakPolarHBondContact O-CG 3.48Å; L722-L726 PolarHBondContact O-N 2.73Å; T723-L726 PolarHBondContact O-N 3.49Å; L726-H730 HydrophobicContact CB-CB 4.31Å; L726-H730 HydrophobicContact CD2-CB 3.78Å; L726-H730 WeakPolarHBondContact O-CB 3.18Å; L726-H730 PolarHBondContact O-N 3.5Å; L726-I733 HydrophobicContact CD2-CB 4.44Å; L726-I733 HydrophobicContact CD2-CD1 3.88Å; L726-I733 HydrophobicContact CG-CD1 4.22Å; L726-R738 HydrophobicContact CD2-CG 3.93Å; L726-I741 HydrophobicContact CD1-CG2 4.13Å; L726-L762 HydrophobicContact CD1-CD1 3.55Å; L726-L762 HydrophobicContact CD1-CG 4.44Å; L726-Y765 HydrophobicContact CB-CD1 3.63Å; L726-Y765 HydrophobicContact CB-CD2 4.09Å; L726-Y765 HydrophobicContact CB-CE1 4.08Å; L726-Y765 HydrophobicContact CB-CE2 4.46Å; L726-Y765 HydrophobicContact CB-CG 3.68Å; L726-Y765 HydrophobicContact CD1-CD1 3.87Å; L726-Y765 HydrophobicContact CD1-CE1 3.6Å; L726-Y765 HydrophobicContact CG-CD1 4.31Å; L726-Y765 HydrophobicContact CG-CE1 4.29Å
727	Y	97.5	Very high	96.9	Very high	135 Å²	135	51.5 Å²	51.5	53%	0.529	24%	0.243	S	C	.	.	H	α-helix	trans	-67	-42	175.2	-169.4	-96.8	0	0	0	112.7	T723 E724 Q725 K768	T723-Y727 WeakPolarHBondContact O-CB 3.41Å; T723-Y727 PolarHBondContact O-N 3.46Å; E724-Y727 PolarHBondContact O-N 3.19Å; Q725-Y727 VanDerWaalsContact C-N 3.28Å; Q725-Y727 PolarHBondContact O-N 2.92Å; Y727-K768 PolarHBondContact O-NZ 3.05Å
728	K	97.4	Very high	97.2	Very high	169 Å²	169	48.4 Å²	48.4	74%	0.735	23%	0.225	S	C	*	.	H	α-helix	trans	-70.3	-57.3	179.9	-179.3	-177.7	176.4	-175.6	0	111.5	E724 Q725	E724-K728 VanDerWaalsContact O-CB 3.25Å; E724-K728 WeakPolarHBondContact O-CB 3.4Å; E724-K728 PolarHBondContact O-N 3.46Å; Q725-K728 PolarHBondContact O-N 3.14Å
729	D	97.4	Very high	97.2	Very high	74 Å²	74	48.4 Å²	48.4	40%	0.396	23%	0.225	S	C	.	.	H	α-helix	trans	-155.8	90.4	178.5	177.6	16.7	0	0	0	110.4	Q725 R731 A732	Q725-D729 PolarHBondContact NE2-O 3.49Å; Q725-D729 CarbonylContact O-C 3.48Å; Q725-D729 WeakPolarHBondContact O-CA 3.48Å; Q725-D729 PolarHBondContact O-N 2.99Å; D729-R731 PolarHBondContact O-N 2.92Å; D729-R731 WeakPolarHBondContact OD1-CB 3.27Å; D729-R731 PolarHBondContact OD1-N 3.45Å; D729-A732 WeakPolarHBondContact O-CB 2.91Å; D729-A732 PolarHBondContact O-N 3.18Å
730	H	97.5	Very high	97.3	Very high	13 Å²	13	47.8 Å²	47.8	6%	0.06	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-60.6	-20.8	173.9	64.9	-57.5	0	0	0	114.6	L726 A732 I733 R738 Y765 K768 E769	L726-H730 HydrophobicContact CB-CB 4.31Å; L726-H730 HydrophobicContact CD2-CB 3.78Å; L726-H730 WeakPolarHBondContact O-CB 3.18Å; L726-H730 PolarHBondContact O-N 3.5Å; H730-A732 VanDerWaalsContact C-N 3.26Å; H730-A732 PolarHBondContact O-N 2.97Å; H730-I733 PolarHBondContact O-N 2.98Å; H730-R738 PolarHBondContact CD2-NH1 3.45Å; H730-R738 WeakPolarHBondContact O-CD 3.47Å; H730-Y765 HydrophobicContact CB-CD2 3.9Å; H730-Y765 HydrophobicContact CB-CE2 3.85Å; H730-K768 PolarHBondContact CE1-O 3.25Å; H730-K768 VanDerWaalsContact CE1-O 3.28Å; H730-K768 PolarHBondContact NE2-O 3.49Å; H730-E769 IonicContact CD2-OE2 2.85Å; H730-E769 PolarHBondContact CD2-OE2 2.64Å
731	R	96.1	Very high	97.3	Very high	164 Å²	164	42.3 Å²	42.3	62%	0.619	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-78.3	-11.1	-178.6	-64.9	-177.3	174	-162	-2.8	113.2	D729 I733 D770	D729-R731 PolarHBondContact O-N 2.92Å; D729-R731 WeakPolarHBondContact OD1-CB 3.27Å; D729-R731 PolarHBondContact OD1-N 3.45Å; R731-I733 PolarHBondContact O-N 3.21Å; R731-D770 IonicContact NH2-OD2 3.63Å; R731-D770 PolarHBondContact NH2-OD2 2.94Å
732	A	95	Very high	97.4	Very high	39 Å²	39	41.1 Å²	41.1	32%	0.322	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-65.7	-17.5	168.7	0	0	0	0	0	113.2	D729 H730	D729-A732 WeakPolarHBondContact O-CB 2.91Å; D729-A732 PolarHBondContact O-N 3.18Å; H730-A732 VanDerWaalsContact C-N 3.26Å; H730-A732 PolarHBondContact O-N 2.97Å
733	I	95.9	Very high	97.4	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	19%	0.194	C	C	.	.	S	Bend	trans	-108.2	131.7	176.2	-63.4	174.4	0	0	0	108.6	W699 L722 Q725 L726 H730 R731 R738 I741	W699-I733 HydrophobicContact CH2-CG1 3.9Å; W699-I733 HydrophobicContact CZ2-CG1 4.1Å; W699-I733 HydrophobicContact CZ3-CG1 4.27Å; L722-I733 HydrophobicContact CD2-CD1 3.93Å; Q725-I733 HydrophobicContact CG-CD1 4.05Å; Q725-I733 HydrophobicContact CG-CG1 4.35Å; L726-I733 HydrophobicContact CD2-CB 4.44Å; L726-I733 HydrophobicContact CD2-CD1 3.88Å; L726-I733 HydrophobicContact CG-CD1 4.22Å; H730-I733 PolarHBondContact O-N 2.98Å; R731-I733 PolarHBondContact O-N 3.21Å; I733-R738 HydrophobicContact CB-CG 3.94Å; I733-R738 HydrophobicContact CG2-CG 3.68Å; I733-R738 WeakPolarHBondContact O-CD 3.38Å; I733-I741 HydrophobicContact CD1-CD1 4.13Å; I733-I741 HydrophobicContact CG2-CD1 4.11Å
734	P	95.3	Very high	97.4	Very high	25 Å²	25	40.5 Å²	40.5	16%	0.162	19%	0.187	C	C	.	.			trans	-57.8	147.8	179.5	-25.2	33.1	0	0	0	112.9	W675 H736 S737 R738	W675-P734 HydrophobicContact CB-CG 4.22Å; W675-P734 HydrophobicContact CD2-CG 3.26Å; W675-P734 VanDerWaalsContact CE2-CD 3.49Å; W675-P734 HydrophobicContact CE3-CG 3.75Å; W675-P734 HydrophobicContact CG-CG 3.46Å; W675-P734 VanDerWaalsContact CG-CG 3.46Å; W675-P734 HydrophobicContact CH2-CG 4.36Å; W675-P734 HydrophobicContact CZ2-CG 3.97Å; W675-P734 HydrophobicContact CZ3-CG 4.26Å; P734-H736 PolarHBondContact O-N 3.26Å; P734-S737 WeakPolarHBondContact O-CA 3.39Å; P734-S737 WeakPolarHBondContact O-CB 3.46Å; P734-S737 PolarHBondContact O-N 3.49Å; P734-R738 WeakPolarHBondContact O-CG 3.32Å; P734-R738 PolarHBondContact O-N 2.91Å
735	L	96.7	Very high	97.3	Very high	36 Å²	36	34.5 Å²	34.5	19%	0.188	16%	0.159	C	C	.	.	H	α-helix	trans	-45.4	-58.5	-179.2	174.3	47	0	0	0	113.1	E511 S737 R738 T739 Q771 V773 V774	E511-L735 HydrophobicContact CG-CD2 3.66Å; E511-L735 HydrophobicContact CG-CG 4.01Å; L735-S737 VanDerWaalsContact C-N 3.26Å; L735-S737 PolarHBondContact O-N 3.46Å; L735-R738 WeakPolarHBondContact O-CB 3.28Å; L735-R738 PolarHBondContact O-N 3.45Å; L735-T739 PolarHBondContact O-N 3.11Å; L735-T739 VanDerWaalsContact O-N 3.07Å; L735-T739 PolarHBondContact O-OG1 3.21Å; L735-T739 VanDerWaalsContact O-OG1 3.07Å; L735-Q771 HydrophobicContact CD1-CB 3.54Å; L735-Q771 HydrophobicContact CD1-CG 3.76Å; L735-Q771 HydrophobicContact CD2-CB 4.38Å; L735-Q771 HydrophobicContact CD2-CG 4.18Å; L735-V773 HydrophobicContact CD1-CG2 3.59Å; L735-V773 HydrophobicContact CD2-CG2 4.31Å; L735-V773 HydrophobicContact CG-CG2 3.98Å; L735-V774 HydrophobicContact CD1-CG2 3.48Å; L735-V774 VanDerWaalsContact CD1-CG2 3.48Å
736	H	96.9	Very high	97.2	Very high	11 Å²	11	34 Å²	34	5%	0.051	16%	0.156	C	C	.	.	H	α-helix	trans	-49.7	-44.8	176.8	-63.5	86.8	0	0	0	113.4	D510 E511 L514 K705 P734 T739 Q740	D510-H736 IonicContact OD2-CE1 3.95Å; D510-H736 IonicContact OD2-NE2 2.71Å; D510-H736 PolarHBondContact OD2-NE2 3.31Å; E511-H736 IonicContact OE1-CE1 3.06Å; E511-H736 PolarHBondContact OE1-CE1 3.06Å; E511-H736 IonicContact OE1-NE2 2.67Å; L514-H736 HydrophobicContact CD2-CB 3.93Å; K705-H736 VanDerWaalsContact CA-CB 3.42Å; K705-H736 HydrophobicContact CB-CB 3.55Å; K705-H736 HydrophobicContact CG-CB 3.89Å; P734-H736 PolarHBondContact O-N 3.26Å; H736-T739 WeakPolarHBondContact O-CB 3.16Å; H736-T739 PolarHBondContact O-N 2.86Å; H736-Q740 PolarHBondContact O-N 2.83Å
737	S	96.4	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.4	-34.4	-178.8	-61	0	0	0	0	112.6	L701 K705 P734 L735 Q740 I741	L701-S737 VanDerWaalsContact CD2-OG 3.25Å; L701-S737 WeakPolarHBondContact CD2-OG 3.36Å; K705-S737 PolarHBondContact N-OG 3.13Å; P734-S737 WeakPolarHBondContact O-CA 3.39Å; P734-S737 WeakPolarHBondContact O-CB 3.46Å; P734-S737 PolarHBondContact O-N 3.49Å; L735-S737 VanDerWaalsContact C-N 3.26Å; L735-S737 PolarHBondContact O-N 3.46Å; S737-Q740 PolarHBondContact O-N 3.32Å; S737-I741 WeakPolarHBondContact O-CB 3.35Å; S737-I741 WeakPolarHBondContact O-CD1 3.22Å; S737-I741 WeakPolarHBondContact O-CG1 3.47Å; S737-I741 PolarHBondContact O-N 3.46Å
738	R	98	Very high	96.9	Very high	10 Å²	10	27.9 Å²	27.9	4%	0.038	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-42.9	173.2	-57.6	-178.9	-50.8	179	18.4	110.9	L726 H730 I733 P734 L735 Q740 I741 L742 E769 V774	L726-R738 HydrophobicContact CD2-CG 3.93Å; H730-R738 PolarHBondContact CD2-NH1 3.45Å; H730-R738 WeakPolarHBondContact O-CD 3.47Å; I733-R738 HydrophobicContact CB-CG 3.94Å; I733-R738 HydrophobicContact CG2-CG 3.68Å; I733-R738 WeakPolarHBondContact O-CD 3.38Å; P734-R738 WeakPolarHBondContact O-CG 3.32Å; P734-R738 PolarHBondContact O-N 2.91Å; L735-R738 WeakPolarHBondContact O-CB 3.28Å; L735-R738 PolarHBondContact O-N 3.45Å; R738-Q740 VanDerWaalsContact C-N 3.34Å; R738-I741 PolarHBondContact O-N 3.35Å; R738-L742 PolarHBondContact O-N 2.86Å; R738-E769 IonicContact CZ-OE1 3.86Å; R738-E769 IonicContact CZ-OE2 3.77Å; R738-E769 IonicContact NE-OE2 2.76Å; R738-E769 IonicContact NH1-OE1 2.87Å; R738-E769 IonicContact NH1-OE2 2.85Å; R738-E769 VanDerWaalsContact NH2-CD 3.28Å; R738-E769 IonicContact NH2-OE1 2.79Å; R738-E769 PolarHBondContact NH2-OE1 3.02Å; R738-E769 IonicContact NH2-OE2 3.8Å; R738-E769 PolarHBondContact NH2-OE2 3.38Å; R738-E769 VanDerWaalsContact NH2-OE2 3.12Å; R738-V774 HydrophobicContact CB-CG2 4.3Å
739	T	98.6	Very high	96.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.2	-47.5	174.4	-48.7	0	0	0	0	110.7	L514 L515 L735 H736 L742 D743 V773 T777	L514-T739 HydrophobicContact CD2-CG2 4.46Å; L515-T739 HydrophobicContact CD2-CG2 4.26Å; L735-T739 PolarHBondContact O-N 3.11Å; L735-T739 VanDerWaalsContact O-N 3.07Å; L735-T739 PolarHBondContact O-OG1 3.21Å; L735-T739 VanDerWaalsContact O-OG1 3.07Å; H736-T739 WeakPolarHBondContact O-CB 3.16Å; H736-T739 PolarHBondContact O-N 2.86Å; T739-L742 PolarHBondContact O-N 3.19Å; T739-D743 PolarHBondContact O-N 3.11Å; T739-D743 VanDerWaalsContact O-N 3.13Å; T739-V773 HydrophobicContact CG2-CB 4.4Å; T739-V773 HydrophobicContact CG2-CG2 4.49Å; T739-V773 WeakPolarHBondContact OG1-CG2 3.35Å; T739-T777 HydrophobicContact CG2-CG2 4.47Å; T739-T777 WeakPolarHBondContact CG2-OG1 3.31Å
740	Q	98.2	Very high	96.1	Very high	1 Å²	1	17 Å²	17	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-61.5	-46.4	176	-177.1	-167.4	-18.2	0	0	112.7	F702 N703 Q706 H736 S737 R738 L742 D743 D744	F702-Q740 PolarHBondContact O-NE2 3.25Å; N703-Q740 PolarHBondContact O-OE1 2.92Å; Q706-Q740 HydrophobicContact CB-CB 4.06Å; Q706-Q740 HydrophobicContact CB-CG 4.12Å; Q706-Q740 HydrophobicContact CG-CB 4.14Å; Q706-Q740 HydrophobicContact CG-CG 3.79Å; H736-Q740 PolarHBondContact O-N 2.83Å; S737-Q740 PolarHBondContact O-N 3.32Å; R738-Q740 VanDerWaalsContact C-N 3.34Å; Q740-L742 VanDerWaalsContact C-N 3.25Å; Q740-L742 PolarHBondContact O-N 2.9Å; Q740-D743 PolarHBondContact O-N 3.36Å; Q740-D743 VanDerWaalsContact O-N 3.14Å; Q740-D744 PolarHBondContact NE2-OD2 3.48Å; Q740-D744 VanDerWaalsContact NE2-OD2 3.13Å; Q740-D744 WeakPolarHBondContact O-CB 3.41Å; Q740-D744 PolarHBondContact O-N 3.41Å
741	I	98.5	Very high	95.4	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.015	8%	0.084	C	C	.	.	H	α-helix	trans	-54.4	-44.7	-178.7	-77.1	162.4	0	0	0	110.7	L701 W719 L722 L726 I733 S737 R738 L745 L762	L701-I741 HydrophobicContact CD1-CD1 4.02Å; L701-I741 HydrophobicContact CD1-CG1 3.91Å; W719-I741 HydrophobicContact CZ3-CG2 4.22Å; L722-I741 HydrophobicContact CD1-CD1 4.47Å; L722-I741 HydrophobicContact CD1-CG1 4.5Å; L722-I741 HydrophobicContact CD2-CD1 4.15Å; L726-I741 HydrophobicContact CD1-CG2 4.13Å; I733-I741 HydrophobicContact CD1-CD1 4.13Å; I733-I741 HydrophobicContact CG2-CD1 4.11Å; S737-I741 WeakPolarHBondContact O-CB 3.35Å; S737-I741 WeakPolarHBondContact O-CD1 3.22Å; S737-I741 WeakPolarHBondContact O-CG1 3.47Å; S737-I741 PolarHBondContact O-N 3.46Å; R738-I741 PolarHBondContact O-N 3.35Å; I741-L745 WeakPolarHBondContact O-CB 3.26Å; I741-L745 PolarHBondContact O-N 3.5Å; I741-L762 HydrophobicContact CG2-CD1 4.08Å; I741-L762 HydrophobicContact CG2-CD2 3.68Å
742	L	98.5	Very high	94.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68.1	-42.1	178.2	-78.3	155.5	0	0	0	112.4	R738 T739 Q740 F746 Y759 L762 T763 Y765 L766 V774 T777	R738-L742 PolarHBondContact O-N 2.86Å; T739-L742 PolarHBondContact O-N 3.19Å; Q740-L742 VanDerWaalsContact C-N 3.25Å; Q740-L742 PolarHBondContact O-N 2.9Å; L742-F746 WeakPolarHBondContact O-CB 3.37Å; L742-F746 PolarHBondContact O-N 2.93Å; L742-F746 VanDerWaalsContact O-N 3.08Å; L742-Y759 HydrophobicContact CD2-CE2 4.22Å; L742-L762 HydrophobicContact CD2-CD2 3.61Å; L742-L762 HydrophobicContact CD2-CG 4.18Å; L742-L762 HydrophobicContact CG-CD2 3.98Å; L742-T763 HydrophobicContact CD2-CG2 4.16Å; L742-Y765 HydrophobicContact CD1-CE1 4.16Å; L742-Y765 WeakPolarHBondContact CD1-OH 3.48Å; L742-Y765 HydrophobicContact CD2-CE1 4.5Å; L742-L766 HydrophobicContact CD1-CD2 4.09Å; L742-V774 HydrophobicContact CD1-CG1 3.36Å; L742-T777 HydrophobicContact CB-CG2 4.25Å
743	D	98.2	Very high	94.6	Very high	11 Å²	11	12.4 Å²	12.4	6%	0.059	7%	0.072	C	C	.	.	H	α-helix	trans	-66.8	-49.9	178.4	-175.1	59.3	0	0	0	112.1	Q519 R711 T739 Q740 F746 N747 T777	Q519-D743 HydrophobicContact CG-CB 4.22Å; Q519-D743 WeakPolarHBondContact CG-OD2 3.39Å; R711-D743 IonicContact CZ-OD2 2.83Å; R711-D743 VanDerWaalsContact CZ-OD2 3.22Å; R711-D743 IonicContact NH1-OD2 3.72Å; R711-D743 PolarHBondContact NH1-OD2 3.07Å; R711-D743 IonicContact NH2-OD1 3.23Å; R711-D743 IonicContact NH2-OD2 3.41Å; R711-D743 PolarHBondContact NH2-OD2 3.43Å; T739-D743 PolarHBondContact O-N 3.11Å; T739-D743 VanDerWaalsContact O-N 3.13Å; Q740-D743 PolarHBondContact O-N 3.36Å; Q740-D743 VanDerWaalsContact O-N 3.14Å; D743-F746 PolarHBondContact O-N 2.96Å; D743-N747 PolarHBondContact O-N 2.99Å; D743-N747 PolarHBondContact O-ND2 3.27Å; D743-N747 PolarHBondContact OD1-ND2 3.2Å; D743-N747 VanDerWaalsContact OD1-ND2 3.13Å; D743-T777 HydrophobicContact CB-CG2 3.75Å
744	D	98.1	Very high	94.4	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-60.7	-48.2	178.9	-84.6	-8.7	0	0	0	110.9	R711 V712 W719 Q740 F746 N747 L748	R711-D744 WeakPolarHBondContact CB-OD1 3.45Å; R711-D744 VanDerWaalsContact CG-OD1 3.25Å; R711-D744 WeakPolarHBondContact CG-OD1 3.35Å; R711-D744 IonicContact CZ-OD1 2.64Å; R711-D744 IonicContact NH1-OD1 3.91Å; R711-D744 PolarHBondContact NH1-OD1 3.35Å; V712-D744 PolarHBondContact N-OD2 2.87Å; W719-D744 HydrophobicContact CH2-CB 4.41Å; Q740-D744 PolarHBondContact NE2-OD2 3.48Å; Q740-D744 VanDerWaalsContact NE2-OD2 3.13Å; Q740-D744 WeakPolarHBondContact O-CB 3.41Å; Q740-D744 PolarHBondContact O-N 3.41Å; D744-F746 PolarHBondContact O-N 2.85Å; D744-N747 PolarHBondContact O-N 3.37Å; D744-L748 WeakPolarHBondContact O-CB 3.3Å; D744-L748 WeakPolarHBondContact O-CG 3.26Å; D744-L748 PolarHBondContact O-N 2.98Å
745	L	97.7	Very high	94.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.2	-39.2	-178.1	-173.9	58.9	0	0	0	112.3	W719 I741 L748 A749 V754 V758 Y759 L762	W719-L745 HydrophobicContact CD2-CD1 3.83Å; W719-L745 HydrophobicContact CE3-CB 4.31Å; W719-L745 HydrophobicContact CE3-CD1 3.97Å; W719-L745 HydrophobicContact CE3-CD2 4.07Å; W719-L745 HydrophobicContact CE3-CG 4.34Å; W719-L745 HydrophobicContact CG-CD1 4.34Å; W719-L745 HydrophobicContact CH2-CB 4.08Å; W719-L745 HydrophobicContact CH2-CD1 4.38Å; W719-L745 HydrophobicContact CZ2-CD1 4.26Å; W719-L745 HydrophobicContact CZ3-CB 3.86Å; W719-L745 HydrophobicContact CZ3-CD1 4.24Å; W719-L745 HydrophobicContact CZ3-CD2 4.41Å; W719-L745 HydrophobicContact CZ3-CG 4.39Å; I741-L745 WeakPolarHBondContact O-CB 3.26Å; I741-L745 PolarHBondContact O-N 3.5Å; L745-L748 PolarHBondContact O-N 3.47Å; L745-A749 WeakPolarHBondContact O-CB 3.31Å; L745-A749 PolarHBondContact O-N 3.03Å; L745-V754 HydrophobicContact CD1-CB 4.19Å; L745-V754 HydrophobicContact CD1-CG1 3.77Å; L745-V754 HydrophobicContact CD1-CG2 4.36Å; L745-V758 HydrophobicContact CD1-CG1 4.21Å; L745-V758 HydrophobicContact CD2-CG1 4.17Å; L745-Y759 HydrophobicContact CB-CD2 4.27Å; L745-Y759 HydrophobicContact CD2-CD2 4.38Å; L745-Y759 HydrophobicContact CG-CD2 4.13Å; L745-L762 HydrophobicContact CB-CD2 4.32Å; L745-L762 HydrophobicContact CD2-CB 3.83Å; L745-L762 HydrophobicContact CD2-CD2 3.52Å; L745-L762 HydrophobicContact CD2-CG 4.17Å
746	F	96	Very high	94.2	Very high	20 Å²	20	12.3 Å²	12.3	9%	0.088	8%	0.075	C	C	.	.	H	α-helix	trans	-60.1	-49.5	174.6	171.3	-110	0	0	0	111.1	L742 D743 D744 L748 A749 N750 Y756 Y759 A781 Y784 I785	L742-F746 WeakPolarHBondContact O-CB 3.37Å; L742-F746 PolarHBondContact O-N 2.93Å; L742-F746 VanDerWaalsContact O-N 3.08Å; D743-F746 PolarHBondContact O-N 2.96Å; D744-F746 PolarHBondContact O-N 2.85Å; F746-L748 PolarHBondContact O-N 3.39Å; F746-A749 WeakPolarHBondContact O-CB 3.34Å; F746-A749 PolarHBondContact O-N 2.77Å; F746-N750 WeakPolarHBondContact O-CB 3.45Å; F746-N750 PolarHBondContact O-N 3.45Å; F746-Y756 HydrophobicContact CD2-CE1 4.41Å; F746-Y756 HydrophobicContact CE2-CE1 4.24Å; F746-Y759 HydrophobicContact CB-CD2 3.91Å; F746-Y759 HydrophobicContact CB-CE1 4.47Å; F746-Y759 HydrophobicContact CB-CE2 3.54Å; F746-Y759 HydrophobicContact CD2-CD1 4.26Å; F746-Y759 AromaticContact CD2-CE1 3.88Å; F746-Y759 HydrophobicContact CD2-CE1 3.88Å; F746-Y759 HydrophobicContact CD2-CE2 4.46Å; F746-Y759 AromaticContact CD2-CZ 4Å; F746-Y759 HydrophobicContact CG-CE2 4.44Å; F746-A781 HydrophobicContact CB-CB 4.13Å; F746-A781 HydrophobicContact CD1-CB 3.73Å; F746-A781 HydrophobicContact CD2-CB 3.57Å; F746-A781 HydrophobicContact CE1-CB 4.01Å; F746-A781 HydrophobicContact CE2-CB 3.84Å; F746-A781 HydrophobicContact CG-CB 3.5Å; F746-A781 HydrophobicContact CZ-CB 4.06Å; F746-Y784 HydrophobicContact CE2-CD1 4.35Å; F746-Y784 AromaticContact CZ-CD1 3.76Å; F746-Y784 HydrophobicContact CZ-CD1 3.76Å; F746-Y784 HydrophobicContact CZ-CG 4.12Å; F746-I785 HydrophobicContact CE2-CD1 4.26Å; F746-I785 HydrophobicContact CE2-CG1 4.21Å
747	N	93.7	Very high	94.1	Very high	6 Å²	6	14.6 Å²	14.6	3%	0.032	9%	0.087	C	C	.	.	H	α-helix	trans	-67	-38.5	-177.5	-76.6	-83.9	0	0	0	111.4	R711 D743 D744 A749 N750 R751	R711-N747 PolarHBondContact NH2-ND2 2.87Å; R711-N747 VanDerWaalsContact NH2-ND2 3.18Å; D743-N747 PolarHBondContact O-N 2.99Å; D743-N747 PolarHBondContact O-ND2 3.27Å; D743-N747 PolarHBondContact OD1-ND2 3.2Å; D743-N747 VanDerWaalsContact OD1-ND2 3.13Å; D744-N747 PolarHBondContact O-N 3.37Å; N747-A749 VanDerWaalsContact C-N 3.34Å; N747-A749 PolarHBondContact O-N 2.92Å; N747-N750 PolarHBondContact O-N 3.37Å; N747-R751 WeakPolarHBondContact O-CG 3.26Å; N747-R751 PolarHBondContact O-N 2.91Å
748	L	94.3	Very high	94.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.1	-38.4	171.9	-71.7	173	0	0	0	113.2	L624 V712 H713 W719 D744 L745 F746 R751 T753 V754	L624-L748 HydrophobicContact CD1-CD2 3.86Å; L624-L748 HydrophobicContact CD2-CD2 4.11Å; V712-L748 WeakPolarHBondContact O-CD1 3.26Å; H713-L748 HydrophobicContact CB-CD1 3.81Å; H713-L748 HydrophobicContact CB-CD2 4.04Å; W719-L748 HydrophobicContact CH2-CD1 4.35Å; W719-L748 HydrophobicContact CZ2-CD1 3.61Å; D744-L748 WeakPolarHBondContact O-CB 3.3Å; D744-L748 WeakPolarHBondContact O-CG 3.26Å; D744-L748 PolarHBondContact O-N 2.98Å; L745-L748 PolarHBondContact O-N 3.47Å; F746-L748 PolarHBondContact O-N 3.39Å; L748-R751 VanDerWaalsContact O-CG 3.3Å; L748-R751 WeakPolarHBondContact O-CG 3.4Å; L748-T753 HydrophobicContact CD2-CG2 3.97Å; L748-T753 PolarHBondContact O-N 3.47Å; L748-V754 HydrophobicContact CB-CB 4.33Å; L748-V754 HydrophobicContact CB-CG2 4.03Å; L748-V754 HydrophobicContact CD1-CG2 4.39Å; L748-V754 PolarHBondContact O-N 2.76Å
749	A	91.9	Very high	94.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.9	-42.7	173.3	0	0	0	0	0	111.5	L745 F746 N747 R751 A752 V754 Y756 H1064	L745-A749 WeakPolarHBondContact O-CB 3.31Å; L745-A749 PolarHBondContact O-N 3.03Å; F746-A749 WeakPolarHBondContact O-CB 3.34Å; F746-A749 PolarHBondContact O-N 2.77Å; N747-A749 VanDerWaalsContact C-N 3.34Å; N747-A749 PolarHBondContact O-N 2.92Å; A749-R751 PolarHBondContact O-N 3.5Å; A749-A752 PolarHBondContact O-N 3.17Å; A749-V754 VanDerWaalsContact CA-O 3.31Å; A749-V754 WeakPolarHBondContact CA-O 3.37Å; A749-Y756 HydrophobicContact CB-CD1 4.17Å; A749-Y756 HydrophobicContact CB-CD2 4.14Å; A749-Y756 HydrophobicContact CB-CE1 4.2Å; A749-Y756 HydrophobicContact CB-CE2 4.18Å; A749-Y756 HydrophobicContact CB-CG 4.13Å; A749-Y756 VanDerWaalsContact O-CE2 3.27Å; A749-Y756 WeakPolarHBondContact O-CE2 3.25Å; A749-H1064 PolarHBondContact O-NE2 3.45Å
750	N	87	Confident	94.1	Very high	14 Å²	14	15.7 Å²	15.7	8%	0.075	10%	0.095	C	C	.	.	H	α-helix	trans	-61.3	-27.7	-179.5	-165.8	69.5	0	0	0	113.7	F746 N747 Y756 Y784 W1060 H1064	F746-N750 WeakPolarHBondContact O-CB 3.45Å; F746-N750 PolarHBondContact O-N 3.45Å; N747-N750 PolarHBondContact O-N 3.37Å; N750-Y756 WeakPolarHBondContact CA-OH 3.39Å; N750-Y756 WeakPolarHBondContact CB-OH 3.2Å; N750-Y756 PolarHBondContact OD1-OH 3.22Å; N750-Y784 WeakPolarHBondContact OD1-CE1 3.47Å; N750-W1060 PolarHBondContact O-NE1 2.93Å; N750-W1060 PolarHBondContact OD1-NE1 3.38Å; N750-H1064 PolarHBondContact O-CE1 2.94Å
751	R	83.6	Confident	94	Very high	27 Å²	27	18.3 Å²	18.3	10%	0.102	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	14.3	174.2	66.6	177.8	-97.3	168.9	0.9	114.7	Y642 E644 Q646 N747 L748 A749 T753	Y642-R751 VanDerWaalsContact CE2-NH1 3.27Å; Y642-R751 WeakPolarHBondContact OH-CD 3.5Å; E644-R751 WeakPolarHBondContact OE1-CB 3.13Å; Q646-R751 HydrophobicContact CB-CB 4.33Å; Q646-R751 PolarHBondContact OE1-O 2.83Å; N747-R751 WeakPolarHBondContact O-CG 3.26Å; N747-R751 PolarHBondContact O-N 2.91Å; L748-R751 VanDerWaalsContact O-CG 3.3Å; L748-R751 WeakPolarHBondContact O-CG 3.4Å; A749-R751 PolarHBondContact O-N 3.5Å; R751-T753 PolarHBondContact NE-OG1 3.07Å; R751-T753 PolarHBondContact NH2-OG1 2.8Å; R751-T753 PolarHBondContact O-N 2.93Å; R751-T753 VanDerWaalsContact O-N 3.11Å
752	A	84.2	Confident	94	Very high	54 Å²	54	18.1 Å²	18.1	45%	0.446	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	19.9	-178.2	0	0	0	0	0	115.5	A749 T1063	A749-A752 PolarHBondContact O-N 3.17Å; A752-T1063 HydrophobicContact CB-CG2 4.29Å
753	T	88.9	Confident	94	Very high	39 Å²	39	18.1 Å²	18.1	24%	0.239	11%	0.108	C	C	.	.	S	Bend	trans	-80.6	-31.5	174	-66.2	0	0	0	0	111.5	Q646 L748 R751	Q646-T753 PolarHBondContact OE1-OG1 3.38Å; L748-T753 HydrophobicContact CD2-CG2 3.97Å; L748-T753 PolarHBondContact O-N 3.47Å; R751-T753 PolarHBondContact NE-OG1 3.07Å; R751-T753 PolarHBondContact NH2-OG1 2.8Å; R751-T753 PolarHBondContact O-N 2.93Å; R751-T753 VanDerWaalsContact O-N 3.11Å
754	V	92.8	Very high	94	Very high	18 Å²	18	20.5 Å²	20.5	11%	0.109	12%	0.118	C	C	.	.	S	Bend	trans	-123.1	154.9	167.1	-179.1	0	0	0	0	107.7	L745 L748 A749 V758	L745-V754 HydrophobicContact CD1-CB 4.19Å; L745-V754 HydrophobicContact CD1-CG1 3.77Å; L745-V754 HydrophobicContact CD1-CG2 4.36Å; L748-V754 HydrophobicContact CB-CB 4.33Å; L748-V754 HydrophobicContact CB-CG2 4.03Å; L748-V754 HydrophobicContact CD1-CG2 4.39Å; L748-V754 PolarHBondContact O-N 2.76Å; A749-V754 VanDerWaalsContact CA-O 3.31Å; A749-V754 WeakPolarHBondContact CA-O 3.37Å; V754-V758 HydrophobicContact CG1-CB 3.68Å; V754-V758 HydrophobicContact CG1-CG1 4.02Å; V754-V758 HydrophobicContact CG1-CG2 3.69Å
755	S	92.6	Very high	94	Very high	44 Å²	44	20.6 Å²	20.6	31%	0.308	12%	0.118	S	C	.	.			trans	-79.2	147	176.9	173.7	0	0	0	0	111.4	D757 V758 I1067	S755-D757 WeakPolarHBondContact CB-OD1 3.42Å; S755-D757 PolarHBondContact O-N 3.23Å; S755-D757 PolarHBondContact OG-OD1 2.85Å; S755-V758 WeakPolarHBondContact O-CB 3.32Å; S755-V758 PolarHBondContact O-N 3.01Å; S755-V758 VanDerWaalsContact O-N 3.13Å; S755-I1067 WeakPolarHBondContact OG-CG2 3.29Å
756	Y	93.8	Very high	94	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.8	-26.2	-178.2	-98.7	-83.5	0	0	0	113.7	F746 A749 N750 V758 Y759 L760 I785 W1060 H1064 I1068	F746-Y756 HydrophobicContact CD2-CE1 4.41Å; F746-Y756 HydrophobicContact CE2-CE1 4.24Å; A749-Y756 HydrophobicContact CB-CD1 4.17Å; A749-Y756 HydrophobicContact CB-CD2 4.14Å; A749-Y756 HydrophobicContact CB-CE1 4.2Å; A749-Y756 HydrophobicContact CB-CE2 4.18Å; A749-Y756 HydrophobicContact CB-CG 4.13Å; A749-Y756 VanDerWaalsContact O-CE2 3.27Å; A749-Y756 WeakPolarHBondContact O-CE2 3.25Å; N750-Y756 WeakPolarHBondContact CA-OH 3.39Å; N750-Y756 WeakPolarHBondContact CB-OH 3.2Å; N750-Y756 PolarHBondContact OD1-OH 3.22Å; Y756-V758 VanDerWaalsContact C-N 3.26Å; Y756-V758 PolarHBondContact O-N 3.36Å; Y756-Y759 HydrophobicContact CD1-CD1 4.49Å; Y756-Y759 PolarHBondContact O-N 2.9Å; Y756-L760 WeakPolarHBondContact O-CB 3.49Å; Y756-L760 VanDerWaalsContact O-CG 3.28Å; Y756-L760 WeakPolarHBondContact O-CG 3.44Å; Y756-L760 PolarHBondContact O-N 2.92Å; Y756-I785 HydrophobicContact CD1-CD1 4.45Å; Y756-I785 HydrophobicContact CE1-CD1 4.08Å; Y756-I785 HydrophobicContact CE1-CG1 4.31Å; Y756-W1060 HydrophobicContact CE1-CZ2 4.28Å; Y756-W1060 AromaticContact CE2-CZ2 3.68Å; Y756-W1060 HydrophobicContact CE2-CZ2 3.68Å; Y756-W1060 AromaticContact CE2-NE1 3.88Å; Y756-W1060 AromaticContact CZ-CZ2 3.49Å; Y756-W1060 VanDerWaalsContact CZ-CZ2 3.49Å; Y756-W1060 AromaticContact CZ-NE1 3.98Å; Y756-W1060 VanDerWaalsContact OH-CZ2 3.25Å; Y756-W1060 WeakPolarHBondContact OH-CZ2 3.46Å; Y756-W1060 PolarHBondContact OH-NE1 2.94Å; Y756-H1064 HydrophobicContact CD2-CB 3.69Å; Y756-H1064 AromaticContact CD2-CD2 3.42Å; Y756-H1064 VanDerWaalsContact CD2-CD2 3.42Å; Y756-H1064 WeakPolarHBondContact CD2-CD2 3.4Å; Y756-H1064 AromaticContact CD2-CG 3.61Å; Y756-H1064 HydrophobicContact CE2-CB 3.78Å; Y756-H1064 AromaticContact CE2-CD2 3.51Å; Y756-H1064 AromaticContact CE2-CG 3.46Å; Y756-H1064 VanDerWaalsContact CE2-CG 3.46Å; Y756-H1064 AromaticContact CE2-ND1 3.9Å; Y756-H1064 AromaticContact CE2-NE2 3.96Å; Y756-I1068 HydrophobicContact CD1-CD1 3.9Å; Y756-I1068 HydrophobicContact CD1-CG1 4.12Å; Y756-I1068 HydrophobicContact CD2-CD1 4.32Å; Y756-I1068 HydrophobicContact CE1-CD1 4.3Å; Y756-I1068 HydrophobicContact CG-CD1 3.91Å; Y756-I1068 HydrophobicContact CG-CG1 3.87Å
757	D	95.4	Very high	93.9	Very high	58 Å²	58	23.8 Å²	23.8	31%	0.31	13%	0.132	S	C	.	.	H	α-helix	trans	-62	-33.6	174.6	63.8	-26.6	0	0	0	112.7	S755 L760 N761 I1067 W1071	S755-D757 WeakPolarHBondContact CB-OD1 3.42Å; S755-D757 PolarHBondContact O-N 3.23Å; S755-D757 PolarHBondContact OG-OD1 2.85Å; D757-L760 PolarHBondContact O-N 3.22Å; D757-N761 WeakPolarHBondContact O-CB 3.5Å; D757-N761 PolarHBondContact O-N 3.07Å; D757-N761 PolarHBondContact O-ND2 3.49Å; D757-N761 VanDerWaalsContact O-ND2 3.17Å; D757-I1067 HydrophobicContact CB-CG2 4.45Å; D757-W1071 HydrophobicContact CB-CB 4.49Å; D757-W1071 VanDerWaalsContact CB-CD1 3.48Å; D757-W1071 HydrophobicContact CB-CG 4.24Å
758	V	97	Very high	94	Very high	33 Å²	33	28.4 Å²	28.4	20%	0.2	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-46.4	174.4	-170.3	0	0	0	0	109.9	W719 L745 V754 S755 Y756 N761 L762	W719-V758 HydrophobicContact CB-CG1 3.97Å; L745-V758 HydrophobicContact CD1-CG1 4.21Å; L745-V758 HydrophobicContact CD2-CG1 4.17Å; V754-V758 HydrophobicContact CG1-CB 3.68Å; V754-V758 HydrophobicContact CG1-CG1 4.02Å; V754-V758 HydrophobicContact CG1-CG2 3.69Å; S755-V758 WeakPolarHBondContact O-CB 3.32Å; S755-V758 PolarHBondContact O-N 3.01Å; S755-V758 VanDerWaalsContact O-N 3.13Å; Y756-V758 VanDerWaalsContact C-N 3.26Å; Y756-V758 PolarHBondContact O-N 3.36Å; V758-N761 PolarHBondContact O-N 2.96Å; V758-L762 PolarHBondContact O-N 2.92Å
759	Y	97.2	Very high	94.2	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-47.4	175.5	176.8	-107.4	0	0	0	112	L742 L745 F746 Y756 N761 L762 T763 A781 I785	L742-Y759 HydrophobicContact CD2-CE2 4.22Å; L745-Y759 HydrophobicContact CB-CD2 4.27Å; L745-Y759 HydrophobicContact CD2-CD2 4.38Å; L745-Y759 HydrophobicContact CG-CD2 4.13Å; F746-Y759 HydrophobicContact CB-CD2 3.91Å; F746-Y759 HydrophobicContact CB-CE1 4.47Å; F746-Y759 HydrophobicContact CB-CE2 3.54Å; F746-Y759 HydrophobicContact CD2-CD1 4.26Å; F746-Y759 AromaticContact CD2-CE1 3.88Å; F746-Y759 HydrophobicContact CD2-CE1 3.88Å; F746-Y759 HydrophobicContact CD2-CE2 4.46Å; F746-Y759 AromaticContact CD2-CZ 4Å; F746-Y759 HydrophobicContact CG-CE2 4.44Å; Y756-Y759 HydrophobicContact CD1-CD1 4.49Å; Y756-Y759 PolarHBondContact O-N 2.9Å; Y759-N761 VanDerWaalsContact C-N 3.32Å; Y759-N761 PolarHBondContact O-N 3.4Å; Y759-L762 VanDerWaalsContact O-CB 3.31Å; Y759-L762 WeakPolarHBondContact O-CB 3.38Å; Y759-L762 PolarHBondContact O-N 3.3Å; Y759-L762 VanDerWaalsContact O-N 3.16Å; Y759-T763 HydrophobicContact CD1-CG2 4.39Å; Y759-T763 HydrophobicContact CE1-CG2 3.87Å; Y759-T763 HydrophobicContact CE2-CG2 4.02Å; Y759-T763 WeakPolarHBondContact O-CG2 3.48Å; Y759-T763 PolarHBondContact O-N 2.94Å; Y759-A781 WeakPolarHBondContact OH-CB 3.47Å; Y759-I785 HydrophobicContact CD1-CD1 4.37Å; Y759-I785 HydrophobicContact CE1-CD1 4.01Å
760	L	97.6	Very high	94.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.6	-37.6	179.4	-67.2	170.8	0	0	0	111.5	Y756 D757 T763 Y801 I1068 W1071	Y756-L760 WeakPolarHBondContact O-CB 3.49Å; Y756-L760 VanDerWaalsContact O-CG 3.28Å; Y756-L760 WeakPolarHBondContact O-CG 3.44Å; Y756-L760 PolarHBondContact O-N 2.92Å; D757-L760 PolarHBondContact O-N 3.22Å; L760-T763 PolarHBondContact O-N 3.42Å; L760-T763 PolarHBondContact O-OG1 3.15Å; L760-Y801 HydrophobicContact CD2-CE1 4.2Å; L760-Y801 PolarHBondContact O-OH 2.85Å; L760-Y801 VanDerWaalsContact O-OH 3.13Å; L760-I1068 HydrophobicContact CD1-CB 4.45Å; L760-I1068 HydrophobicContact CD1-CG1 4.28Å; L760-I1068 HydrophobicContact CD1-CG2 4.1Å; L760-W1071 VanDerWaalsContact C-CZ2 3.46Å; L760-W1071 HydrophobicContact CB-CD2 3.68Å; L760-W1071 VanDerWaalsContact CB-CE2 3.48Å; L760-W1071 HydrophobicContact CB-CE3 3.89Å; L760-W1071 HydrophobicContact CB-CG 4.33Å; L760-W1071 HydrophobicContact CB-CH2 3.76Å; L760-W1071 HydrophobicContact CB-CZ2 3.5Å; L760-W1071 HydrophobicContact CB-CZ3 3.94Å; L760-W1071 HydrophobicContact CD1-CB 4.21Å; L760-W1071 HydrophobicContact CD1-CD2 3.74Å; L760-W1071 HydrophobicContact CD1-CE3 3.64Å; L760-W1071 HydrophobicContact CD1-CG 4.01Å; L760-W1071 HydrophobicContact CD1-CZ3 4.27Å; L760-W1071 HydrophobicContact CG-CD2 4.34Å; L760-W1071 HydrophobicContact CG-CE3 4.28Å; L760-W1071 HydrophobicContact CG-CZ3 4.48Å; L760-W1071 WeakPolarHBondContact O-CZ2 3.47Å
761	N	97.9	Very high	94.8	Very high	55 Å²	55	34.3 Å²	34.3	29%	0.294	18%	0.181	S	C	.	.	H	α-helix	trans	-62.5	-42.3	172.4	-78	-26.9	0	0	0	112.2	D757 V758 Y759 T763 K764 W1071	D757-N761 WeakPolarHBondContact O-CB 3.5Å; D757-N761 PolarHBondContact O-N 3.07Å; D757-N761 PolarHBondContact O-ND2 3.49Å; D757-N761 VanDerWaalsContact O-ND2 3.17Å; V758-N761 PolarHBondContact O-N 2.96Å; Y759-N761 VanDerWaalsContact C-N 3.32Å; Y759-N761 PolarHBondContact O-N 3.4Å; N761-T763 PolarHBondContact O-N 3.01Å; N761-K764 WeakPolarHBondContact O-CB 3.32Å; N761-K764 PolarHBondContact O-N 2.79Å; N761-K764 PolarHBondContact OD1-NZ 3.12Å; N761-W1071 PolarHBondContact OD1-NE1 3.5Å
762	L	98.3	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.5	-50.8	173.7	-174.3	77.5	0	0	0	110.5	T723 L726 I741 L742 L745 V758 Y759 K764 Y765	T723-L762 WeakPolarHBondContact OG1-CD1 3.43Å; L726-L762 HydrophobicContact CD1-CD1 3.55Å; L726-L762 HydrophobicContact CD1-CG 4.44Å; I741-L762 HydrophobicContact CG2-CD1 4.08Å; I741-L762 HydrophobicContact CG2-CD2 3.68Å; L742-L762 HydrophobicContact CD2-CD2 3.61Å; L742-L762 HydrophobicContact CD2-CG 4.18Å; L742-L762 HydrophobicContact CG-CD2 3.98Å; L745-L762 HydrophobicContact CB-CD2 4.32Å; L745-L762 HydrophobicContact CD2-CB 3.83Å; L745-L762 HydrophobicContact CD2-CD2 3.52Å; L745-L762 HydrophobicContact CD2-CG 4.17Å; V758-L762 PolarHBondContact O-N 2.92Å; Y759-L762 VanDerWaalsContact O-CB 3.31Å; Y759-L762 WeakPolarHBondContact O-CB 3.38Å; Y759-L762 PolarHBondContact O-N 3.3Å; Y759-L762 VanDerWaalsContact O-N 3.16Å; L762-K764 PolarHBondContact O-N 3.25Å; L762-Y765 WeakPolarHBondContact O-CD1 3.19Å; L762-Y765 PolarHBondContact O-N 3.14Å
763	T	98.3	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.2	-18.5	-176	60.3	0	0	0	0	114.6	L742 Y759 L760 N761 Y765 L766 T778 Y801 L805	L742-T763 HydrophobicContact CD2-CG2 4.16Å; Y759-T763 HydrophobicContact CD1-CG2 4.39Å; Y759-T763 HydrophobicContact CE1-CG2 3.87Å; Y759-T763 HydrophobicContact CE2-CG2 4.02Å; Y759-T763 WeakPolarHBondContact O-CG2 3.48Å; Y759-T763 PolarHBondContact O-N 2.94Å; L760-T763 PolarHBondContact O-N 3.42Å; L760-T763 PolarHBondContact O-OG1 3.15Å; N761-T763 PolarHBondContact O-N 3.01Å; T763-Y765 PolarHBondContact O-N 2.87Å; T763-L766 HydrophobicContact CG2-CD1 4.25Å; T763-L766 VanDerWaalsContact O-CB 3.23Å; T763-L766 WeakPolarHBondContact O-CB 3.29Å; T763-L766 WeakPolarHBondContact O-CD1 3.49Å; T763-L766 VanDerWaalsContact O-CG 3.29Å; T763-L766 WeakPolarHBondContact O-CG 3.23Å; T763-L766 PolarHBondContact O-N 3.07Å; T763-L766 VanDerWaalsContact O-N 3.07Å; T763-T778 HydrophobicContact CG2-CG2 4.17Å; T763-Y801 PolarHBondContact OG1-OH 3.05Å; T763-L805 VanDerWaalsContact O-CD2 3.29Å; T763-L805 WeakPolarHBondContact O-CD2 3.43Å
764	K	97.2	Very high	96.6	Very high	61 Å²	61	29.8 Å²	29.8	27%	0.265	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-57.8	-30.4	177.6	-70.3	172.7	166.7	156.9	0	113.7	N761 L762 L766 W1071 N1075	N761-K764 WeakPolarHBondContact O-CB 3.32Å; N761-K764 PolarHBondContact O-N 2.79Å; N761-K764 PolarHBondContact OD1-NZ 3.12Å; L762-K764 PolarHBondContact O-N 3.25Å; K764-L766 PolarHBondContact O-N 3.25Å; K764-W1071 HydrophobicContact CD-CZ2 4.33Å; K764-W1071 VanDerWaalsContact CE-CZ2 3.42Å; K764-W1071 HydrophobicContact CG-CZ2 4.43Å; K764-N1075 PolarHBondContact NZ-OD1 3.42Å
765	Y	97.9	Very high	96.8	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.012	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-67.6	-22.6	-180	92.9	-97.4	0	0	0	112.4	L726 H730 L742 L762 T763 K767 K768 E769 V774	L726-Y765 HydrophobicContact CB-CD1 3.63Å; L726-Y765 HydrophobicContact CB-CD2 4.09Å; L726-Y765 HydrophobicContact CB-CE1 4.08Å; L726-Y765 HydrophobicContact CB-CE2 4.46Å; L726-Y765 HydrophobicContact CB-CG 3.68Å; L726-Y765 HydrophobicContact CD1-CD1 3.87Å; L726-Y765 HydrophobicContact CD1-CE1 3.6Å; L726-Y765 HydrophobicContact CG-CD1 4.31Å; L726-Y765 HydrophobicContact CG-CE1 4.29Å; H730-Y765 HydrophobicContact CB-CD2 3.9Å; H730-Y765 HydrophobicContact CB-CE2 3.85Å; L742-Y765 HydrophobicContact CD1-CE1 4.16Å; L742-Y765 WeakPolarHBondContact CD1-OH 3.48Å; L742-Y765 HydrophobicContact CD2-CE1 4.5Å; L762-Y765 WeakPolarHBondContact O-CD1 3.19Å; L762-Y765 PolarHBondContact O-N 3.14Å; T763-Y765 PolarHBondContact O-N 2.87Å; Y765-K767 PolarHBondContact O-N 3.48Å; Y765-K768 PolarHBondContact O-N 2.87Å; Y765-E769 HydrophobicContact CE2-CB 4.08Å; Y765-E769 HydrophobicContact CE2-CG 4.48Å; Y765-E769 PolarHBondContact OH-OE2 3.34Å; Y765-V774 WeakPolarHBondContact OH-CG1 3.22Å
766	L	97.9	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-56.9	-21.7	-173.1	-70.4	169.9	0	0	0	113.4	L742 T763 K764 K768 E769 V774 W775 T778	L742-L766 HydrophobicContact CD1-CD2 4.09Å; T763-L766 HydrophobicContact CG2-CD1 4.25Å; T763-L766 VanDerWaalsContact O-CB 3.23Å; T763-L766 WeakPolarHBondContact O-CB 3.29Å; T763-L766 WeakPolarHBondContact O-CD1 3.49Å; T763-L766 VanDerWaalsContact O-CG 3.29Å; T763-L766 WeakPolarHBondContact O-CG 3.23Å; T763-L766 PolarHBondContact O-N 3.07Å; T763-L766 VanDerWaalsContact O-N 3.07Å; K764-L766 PolarHBondContact O-N 3.25Å; L766-K768 PolarHBondContact O-N 3.31Å; L766-E769 HydrophobicContact CD2-CB 3.98Å; L766-E769 HydrophobicContact CD2-CG 4.09Å; L766-E769 WeakPolarHBondContact O-CB 3.41Å; L766-E769 PolarHBondContact O-N 3.03Å; L766-V774 HydrophobicContact CD2-CG1 3.84Å; L766-W775 HydrophobicContact CB-CH2 3.72Å; L766-W775 HydrophobicContact CB-CZ2 3.81Å; L766-W775 HydrophobicContact CB-CZ3 4.35Å; L766-W775 HydrophobicContact CD1-CZ3 4.38Å; L766-W775 WeakPolarHBondContact O-CZ2 3.34Å; L766-T778 HydrophobicContact CD1-CG2 3.32Å
767	K	95.5	Very high	97.3	Very high	86 Å²	86	27.5 Å²	27.5	37%	0.374	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-51.5	-25.1	170.6	-59.8	-173.5	-175	-161.5	0	113.7	Y765 T804 L805	Y765-K767 PolarHBondContact O-N 3.48Å; K767-T804 WeakPolarHBondContact CE-O 3.38Å; K767-L805 HydrophobicContact CG-CD2 4.46Å
768	K	95.8	Very high	97.4	Very high	104 Å²	104	24.8 Å²	24.8	45%	0.452	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-101.1	-4.8	178.5	-57	-179.9	-176.5	177.9	0	113.8	Y727 H730 Y765 L766	Y727-K768 PolarHBondContact O-NZ 3.05Å; H730-K768 PolarHBondContact CE1-O 3.25Å; H730-K768 VanDerWaalsContact CE1-O 3.28Å; H730-K768 PolarHBondContact NE2-O 3.49Å; Y765-K768 PolarHBondContact O-N 2.87Å; L766-K768 PolarHBondContact O-N 3.31Å
769	E	97	Very high	97.3	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.019	12%	0.117	C	C	.	.			trans	-86.2	137.2	-174.8	-178.6	62.6	-99.8	0	0	111.4	H730 R738 Y765 L766 Q771 V774 W775	H730-E769 IonicContact CD2-OE2 2.85Å; H730-E769 PolarHBondContact CD2-OE2 2.64Å; R738-E769 IonicContact CZ-OE1 3.86Å; R738-E769 IonicContact CZ-OE2 3.77Å; R738-E769 IonicContact NE-OE2 2.76Å; R738-E769 IonicContact NH1-OE1 2.87Å; R738-E769 IonicContact NH1-OE2 2.85Å; R738-E769 VanDerWaalsContact NH2-CD 3.28Å; R738-E769 IonicContact NH2-OE1 2.79Å; R738-E769 PolarHBondContact NH2-OE1 3.02Å; R738-E769 IonicContact NH2-OE2 3.8Å; R738-E769 PolarHBondContact NH2-OE2 3.38Å; R738-E769 VanDerWaalsContact NH2-OE2 3.12Å; Y765-E769 HydrophobicContact CE2-CB 4.08Å; Y765-E769 HydrophobicContact CE2-CG 4.48Å; Y765-E769 PolarHBondContact OH-OE2 3.34Å; L766-E769 HydrophobicContact CD2-CB 3.98Å; L766-E769 HydrophobicContact CD2-CG 4.09Å; L766-E769 WeakPolarHBondContact O-CB 3.41Å; L766-E769 PolarHBondContact O-N 3.03Å; E769-Q771 WeakPolarHBondContact OE1-CB 3.4Å; E769-Q771 WeakPolarHBondContact OE1-CG 3.42Å; E769-Q771 PolarHBondContact OE1-N 2.66Å; E769-Q771 VanDerWaalsContact OE1-N 3.12Å; E769-V774 HydrophobicContact CG-CB 3.85Å; E769-V774 HydrophobicContact CG-CG1 3.69Å; E769-V774 HydrophobicContact CG-CG2 4.42Å; E769-W775 PolarHBondContact O-NE1 2.61Å
770	D	95.6	Very high	97.1	Very high	65 Å²	65	29.6 Å²	29.6	35%	0.348	13%	0.132	S	C	.	.			trans	-127.8	8.2	-175.1	62.3	10.8	0	0	0	113.4	R731 L829	R731-D770 IonicContact NH2-OD2 3.63Å; R731-D770 PolarHBondContact NH2-OD2 2.94Å; D770-L829 WeakPolarHBondContact O-CD2 3.4Å
771	Q	97	Very high	96.9	Very high	68 Å²	68	29.8 Å²	29.8	32%	0.318	13%	0.134	S	C	.	.			trans	-100.5	131.6	-177.5	-60.5	-59	-54.1	0	0	113.2	L735 E769 V773 V774 W775	L735-Q771 HydrophobicContact CD1-CB 3.54Å; L735-Q771 HydrophobicContact CD1-CG 3.76Å; L735-Q771 HydrophobicContact CD2-CB 4.38Å; L735-Q771 HydrophobicContact CD2-CG 4.18Å; E769-Q771 WeakPolarHBondContact OE1-CB 3.4Å; E769-Q771 WeakPolarHBondContact OE1-CG 3.42Å; E769-Q771 PolarHBondContact OE1-N 2.66Å; E769-Q771 VanDerWaalsContact OE1-N 3.12Å; Q771-V773 PolarHBondContact O-N 3.17Å; Q771-V774 HydrophobicContact CB-CG2 4.08Å; Q771-V774 PolarHBondContact O-N 3.02Å; Q771-W775 PolarHBondContact O-N 3.04Å
772	Y	96.7	Very high	96.7	Very high	20 Å²	20	27.3 Å²	27.3	8%	0.078	12%	0.121	C	C	.	.	H	α-helix	trans	-52.1	-53	-178.9	165.3	-120.9	0	0	0	112.7	Q512 L515 V774 W775 E776 M825 M828 T832	Q512-Y772 HydrophobicContact CG-CD1 4.46Å; Q512-Y772 HydrophobicContact CG-CE1 4.17Å; L515-Y772 HydrophobicContact CD1-CE1 4.04Å; Y772-V774 VanDerWaalsContact C-N 3.3Å; Y772-V774 PolarHBondContact O-N 3.2Å; Y772-W775 PolarHBondContact O-N 3Å; Y772-W775 VanDerWaalsContact O-N 3.15Å; Y772-E776 HydrophobicContact CD2-CB 4.23Å; Y772-E776 HydrophobicContact CE2-CB 3.73Å; Y772-E776 HydrophobicContact CE2-CG 4.09Å; Y772-E776 WeakPolarHBondContact O-CB 3.42Å; Y772-E776 PolarHBondContact O-N 3.1Å; Y772-M825 HydrophobicContact CD1-CE 4.23Å; Y772-M825 HydrophobicContact CD1-SD 3.78Å; Y772-M825 HydrophobicContact CG-SD 4.49Å; Y772-M828 HydrophobicContact CD1-CB 3.88Å; Y772-M828 VanDerWaalsContact CD2-C 3.49Å; Y772-M828 HydrophobicContact CD2-CB 3.6Å; Y772-M828 HydrophobicContact CE1-CB 3.93Å; Y772-M828 HydrophobicContact CE1-CE 4.18Å; Y772-M828 HydrophobicContact CE1-CG 4.47Å; Y772-M828 HydrophobicContact CE2-CB 3.65Å; Y772-M828 HydrophobicContact CG-CB 3.72Å; Y772-M828 WeakPolarHBondContact OH-CE 3.45Å; Y772-T832 WeakPolarHBondContact CE2-OG1 3.4Å
773	V	98.1	Very high	96.2	Very high	5 Å²	5	28 Å²	28	3%	0.03	13%	0.126	C	C	.	.	H	α-helix	trans	-64.6	-35.5	-171.8	-62.8	0	0	0	0	112.9	E511 Q512 L515 L735 T739 Q771 E776 T777	E511-V773 HydrophobicContact CB-CG1 3.96Å; E511-V773 HydrophobicContact CB-CG2 4.16Å; Q512-V773 HydrophobicContact CG-CG1 4.08Å; L515-V773 HydrophobicContact CD1-CB 4.06Å; L515-V773 HydrophobicContact CD1-CG1 3.84Å; L515-V773 HydrophobicContact CD2-CB 4.38Å; L515-V773 HydrophobicContact CG-CB 4.21Å; L515-V773 HydrophobicContact CG-CG1 4.22Å; L735-V773 HydrophobicContact CD1-CG2 3.59Å; L735-V773 HydrophobicContact CD2-CG2 4.31Å; L735-V773 HydrophobicContact CG-CG2 3.98Å; T739-V773 HydrophobicContact CG2-CB 4.4Å; T739-V773 HydrophobicContact CG2-CG2 4.49Å; T739-V773 WeakPolarHBondContact OG1-CG2 3.35Å; Q771-V773 PolarHBondContact O-N 3.17Å; V773-E776 PolarHBondContact O-N 2.92Å; V773-T777 WeakPolarHBondContact O-CB 3.46Å; V773-T777 PolarHBondContact O-N 3.06Å; V773-T777 PolarHBondContact O-OG1 2.76Å
774	V	98.6	Very high	95.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-45.7	176.2	-175.6	0	0	0	0	110.5	L735 R738 L742 Y765 L766 E769 Q771 Y772 T778	L735-V774 HydrophobicContact CD1-CG2 3.48Å; L735-V774 VanDerWaalsContact CD1-CG2 3.48Å; R738-V774 HydrophobicContact CB-CG2 4.3Å; L742-V774 HydrophobicContact CD1-CG1 3.36Å; Y765-V774 WeakPolarHBondContact OH-CG1 3.22Å; L766-V774 HydrophobicContact CD2-CG1 3.84Å; E769-V774 HydrophobicContact CG-CB 3.85Å; E769-V774 HydrophobicContact CG-CG1 3.69Å; E769-V774 HydrophobicContact CG-CG2 4.42Å; Q771-V774 HydrophobicContact CB-CG2 4.08Å; Q771-V774 PolarHBondContact O-N 3.02Å; Y772-V774 VanDerWaalsContact C-N 3.3Å; Y772-V774 PolarHBondContact O-N 3.2Å; V774-T778 WeakPolarHBondContact O-CB 3.44Å; V774-T778 PolarHBondContact O-N 3.37Å; V774-T778 PolarHBondContact O-OG1 3.21Å
775	W	98.2	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.4	-38.2	177.7	-86.5	108.9	0	0	0	112.7	L766 E769 Q771 Y772 T778 R779 L805 V806 P809 L829 T832 L833 L836	L766-W775 HydrophobicContact CB-CH2 3.72Å; L766-W775 HydrophobicContact CB-CZ2 3.81Å; L766-W775 HydrophobicContact CB-CZ3 4.35Å; L766-W775 HydrophobicContact CD1-CZ3 4.38Å; L766-W775 WeakPolarHBondContact O-CZ2 3.34Å; E769-W775 PolarHBondContact O-NE1 2.61Å; Q771-W775 PolarHBondContact O-N 3.04Å; Y772-W775 PolarHBondContact O-N 3Å; Y772-W775 VanDerWaalsContact O-N 3.15Å; W775-T778 PolarHBondContact O-N 2.89Å; W775-R779 VanDerWaalsContact O-CB 3.26Å; W775-R779 WeakPolarHBondContact O-CB 3.47Å; W775-R779 PolarHBondContact O-N 2.68Å; W775-L805 HydrophobicContact CH2-CB 4.5Å; W775-V806 HydrophobicContact CH2-CG1 4.33Å; W775-V806 HydrophobicContact CZ3-CG1 4.16Å; W775-P809 HydrophobicContact CH2-CG 3.99Å; W775-P809 HydrophobicContact CZ2-CB 3.96Å; W775-P809 HydrophobicContact CZ2-CG 3.32Å; W775-L829 HydrophobicContact CB-CD1 3.88Å; W775-L829 VanDerWaalsContact CD1-CD1 3.46Å; W775-L829 HydrophobicContact CG-CD1 3.82Å; W775-T832 HydrophobicContact CB-CG2 3.87Å; W775-L833 HydrophobicContact CD2-CD2 3.63Å; W775-L833 HydrophobicContact CE3-CD2 3.91Å; W775-L833 HydrophobicContact CG-CD2 4.03Å; W775-L833 HydrophobicContact CH2-CD2 4.35Å; W775-L833 HydrophobicContact CZ2-CD2 4.11Å; W775-L833 HydrophobicContact CZ3-CD2 4.26Å; W775-L836 HydrophobicContact CE3-CD1 3.84Å; W775-L836 HydrophobicContact CZ3-CD1 4.06Å
776	E	97.7	Very high	94.7	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.047	12%	0.12	C	C	.	.	H	α-helix	trans	-72.3	-41.3	-179.7	-177	55.6	-156.2	0	0	112.1	L515 Y772 V773 T778 R779 R780 T832	L515-E776 HydrophobicContact CD1-CB 3.93Å; L515-E776 HydrophobicContact CD1-CG 3.89Å; Y772-E776 HydrophobicContact CD2-CB 4.23Å; Y772-E776 HydrophobicContact CE2-CB 3.73Å; Y772-E776 HydrophobicContact CE2-CG 4.09Å; Y772-E776 WeakPolarHBondContact O-CB 3.42Å; Y772-E776 PolarHBondContact O-N 3.1Å; V773-E776 PolarHBondContact O-N 2.92Å; E776-T778 VanDerWaalsContact C-N 3.31Å; E776-T778 PolarHBondContact O-N 2.95Å; E776-R779 PolarHBondContact O-N 3.05Å; E776-R779 IonicContact OE1-CZ 3.49Å; E776-R779 IonicContact OE1-NE 2.73Å; E776-R779 PolarHBondContact OE1-NE 2.82Å; E776-R779 IonicContact OE1-NH2 3.62Å; E776-R779 PolarHBondContact OE1-NH2 3.02Å; E776-R779 IonicContact OE2-CZ 3.51Å; E776-R779 IonicContact OE2-NE 3.83Å; E776-R779 PolarHBondContact OE2-NE 2.83Å; E776-R779 IonicContact OE2-NH2 3.5Å; E776-R780 WeakPolarHBondContact O-CG 3.34Å; E776-R780 PolarHBondContact O-N 3.3Å; E776-R780 VanDerWaalsContact O-N 3.07Å; E776-R780 IonicContact OE1-NE 2.66Å; E776-R780 PolarHBondContact OE1-NE 2.95Å; E776-T832 HydrophobicContact CB-CG2 4.35Å; E776-T832 WeakPolarHBondContact OE2-CG2 3.45Å; E776-T832 PolarHBondContact OE2-OG1 3.23Å
777	T	97.8	Very high	93.9	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-54.6	-49.7	168.7	-70	0	0	0	0	110.6	L515 Q519 T739 L742 D743 V773 R779 R780 A781	L515-T777 WeakPolarHBondContact CD2-OG1 3.39Å; Q519-T777 PolarHBondContact NE2-OG1 2.73Å; Q519-T777 PolarHBondContact OE1-OG1 2.87Å; T739-T777 HydrophobicContact CG2-CG2 4.47Å; T739-T777 WeakPolarHBondContact CG2-OG1 3.31Å; L742-T777 HydrophobicContact CB-CG2 4.25Å; D743-T777 HydrophobicContact CB-CG2 3.75Å; V773-T777 WeakPolarHBondContact O-CB 3.46Å; V773-T777 PolarHBondContact O-N 3.06Å; V773-T777 PolarHBondContact O-OG1 2.76Å; T777-R779 PolarHBondContact O-N 2.85Å; T777-R780 PolarHBondContact O-N 3.44Å; T777-A781 PolarHBondContact O-N 2.87Å
778	T	97.9	Very high	93.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67	-39	-179.2	-49	0	0	0	0	111.6	T763 L766 V774 W775 E776 R780 A781 L782	T763-T778 HydrophobicContact CG2-CG2 4.17Å; L766-T778 HydrophobicContact CD1-CG2 3.32Å; V774-T778 WeakPolarHBondContact O-CB 3.44Å; V774-T778 PolarHBondContact O-N 3.37Å; V774-T778 PolarHBondContact O-OG1 3.21Å; W775-T778 PolarHBondContact O-N 2.89Å; E776-T778 VanDerWaalsContact C-N 3.31Å; E776-T778 PolarHBondContact O-N 2.95Å; T778-R780 VanDerWaalsContact C-N 3.31Å; T778-R780 PolarHBondContact O-N 3.37Å; T778-A781 PolarHBondContact O-N 2.89Å; T778-L782 HydrophobicContact CG2-CD1 3.57Å; T778-L782 HydrophobicContact CG2-CG 3.91Å; T778-L782 WeakPolarHBondContact O-CB 3.2Å; T778-L782 WeakPolarHBondContact O-CG 3.36Å; T778-L782 PolarHBondContact O-N 3.29Å
779	R	95.9	Very high	92.6	Very high	47 Å²	47	18.8 Å²	18.8	18%	0.177	9%	0.085	C	C	.	.	H	α-helix	trans	-57.4	-45.3	176.9	-175.8	-168.3	73.1	71.6	7	110.8	W775 E776 T777 A781 L782 S783 T832 L836	W775-R779 VanDerWaalsContact O-CB 3.26Å; W775-R779 WeakPolarHBondContact O-CB 3.47Å; W775-R779 PolarHBondContact O-N 2.68Å; E776-R779 PolarHBondContact O-N 3.05Å; E776-R779 IonicContact OE1-CZ 3.49Å; E776-R779 IonicContact OE1-NE 2.73Å; E776-R779 PolarHBondContact OE1-NE 2.82Å; E776-R779 IonicContact OE1-NH2 3.62Å; E776-R779 PolarHBondContact OE1-NH2 3.02Å; E776-R779 IonicContact OE2-CZ 3.51Å; E776-R779 IonicContact OE2-NE 3.83Å; E776-R779 PolarHBondContact OE2-NE 2.83Å; E776-R779 IonicContact OE2-NH2 3.5Å; T777-R779 PolarHBondContact O-N 2.85Å; R779-A781 VanDerWaalsContact C-N 3.32Å; R779-A781 PolarHBondContact O-N 2.96Å; R779-L782 PolarHBondContact O-N 3.46Å; R779-S783 WeakPolarHBondContact O-CB 3.09Å; R779-S783 PolarHBondContact O-N 3.18Å; R779-T832 HydrophobicContact CB-CG2 4.14Å; R779-L836 HydrophobicContact CB-CD1 3.92Å; R779-L836 HydrophobicContact CB-CD2 4.2Å; R779-L836 HydrophobicContact CB-CG 4.12Å; R779-L836 HydrophobicContact CG-CD1 4.03Å; R779-L836 HydrophobicContact CG-CD2 3.64Å; R779-L836 HydrophobicContact CG-CG 3.65Å
780	R	92.4	Very high	91.8	Very high	89 Å²	89	19.7 Å²	19.7	34%	0.336	9%	0.093	S	C	.	.	H	α-helix	trans	-59.8	-43.7	179.1	-68.9	171.6	-176.3	-173.1	0.6	110.9	L515 D516 E776 T777 T778 Y784	L515-R780 PolarHBondContact O-NH1 3.2Å; D516-R780 IonicContact OD1-NH2 3.93Å; D516-R780 PolarHBondContact OD1-NH2 3.36Å; E776-R780 WeakPolarHBondContact O-CG 3.34Å; E776-R780 PolarHBondContact O-N 3.3Å; E776-R780 VanDerWaalsContact O-N 3.07Å; E776-R780 IonicContact OE1-NE 2.66Å; E776-R780 PolarHBondContact OE1-NE 2.95Å; T777-R780 PolarHBondContact O-N 3.44Å; T778-R780 VanDerWaalsContact C-N 3.31Å; T778-R780 PolarHBondContact O-N 3.37Å; R780-Y784 PolarHBondContact O-N 3.24Å
781	A	92.8	Very high	91	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.033	10%	0.102	C	C	.	.	H	α-helix	trans	-66.1	-49.4	175.7	0	0	0	0	0	113.2	F746 Y759 T777 T778 R779 S783 Y784 I785	F746-A781 HydrophobicContact CB-CB 4.13Å; F746-A781 HydrophobicContact CD1-CB 3.73Å; F746-A781 HydrophobicContact CD2-CB 3.57Å; F746-A781 HydrophobicContact CE1-CB 4.01Å; F746-A781 HydrophobicContact CE2-CB 3.84Å; F746-A781 HydrophobicContact CG-CB 3.5Å; F746-A781 HydrophobicContact CZ-CB 4.06Å; Y759-A781 WeakPolarHBondContact OH-CB 3.47Å; T777-A781 PolarHBondContact O-N 2.87Å; T778-A781 PolarHBondContact O-N 2.89Å; R779-A781 VanDerWaalsContact C-N 3.32Å; R779-A781 PolarHBondContact O-N 2.96Å; A781-S783 VanDerWaalsContact C-N 3.31Å; A781-S783 PolarHBondContact O-N 3.21Å; A781-Y784 WeakPolarHBondContact O-CB 3.34Å; A781-Y784 PolarHBondContact O-N 2.85Å; A781-Y784 VanDerWaalsContact O-N 3.1Å; A781-I785 PolarHBondContact O-N 3.39Å; A781-I785 VanDerWaalsContact O-N 3.09Å
782	L	93.8	Very high	90.2	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	9%	0.092	C	C	.	.	H	α-helix	trans	-64.7	-35	178.4	-68.1	171.5	0	0	0	112.1	T778 R779 Y784 I785 D786 F798 L802 L805	T778-L782 HydrophobicContact CG2-CD1 3.57Å; T778-L782 HydrophobicContact CG2-CG 3.91Å; T778-L782 WeakPolarHBondContact O-CB 3.2Å; T778-L782 WeakPolarHBondContact O-CG 3.36Å; T778-L782 PolarHBondContact O-N 3.29Å; R779-L782 PolarHBondContact O-N 3.46Å; L782-Y784 VanDerWaalsContact C-N 3.3Å; L782-Y784 PolarHBondContact O-N 2.79Å; L782-I785 HydrophobicContact CD2-CD1 4.47Å; L782-I785 PolarHBondContact O-N 2.86Å; L782-D786 WeakPolarHBondContact O-CB 3.46Å; L782-D786 PolarHBondContact O-N 3.05Å; L782-F798 HydrophobicContact CD2-CE2 4.28Å; L782-F798 HydrophobicContact CD2-CZ 4.15Å; L782-L802 HydrophobicContact CB-CD2 4.11Å; L782-L802 HydrophobicContact CD1-CD2 3.78Å; L782-L802 HydrophobicContact CD2-CD2 3.93Å; L782-L802 HydrophobicContact CG-CD2 4.15Å; L782-L805 HydrophobicContact CD1-CD1 4.27Å
783	S	88.3	Confident	89.6	Confident	15 Å²	15	27.7 Å²	27.7	11%	0.105	13%	0.131	C	C	.	.	H	α-helix	trans	-65.6	-33.6	173.9	-178.6	0	0	0	0	111.9	R779 A781 R787	R779-S783 WeakPolarHBondContact O-CB 3.09Å; R779-S783 PolarHBondContact O-N 3.18Å; A781-S783 VanDerWaalsContact C-N 3.31Å; A781-S783 PolarHBondContact O-N 3.21Å; S783-R787 WeakPolarHBondContact O-CG 3Å; S783-R787 PolarHBondContact O-N 3.06Å; S783-R787 VanDerWaalsContact O-N 3.17Å; S783-R787 PolarHBondContact O-NH1 2.96Å; S783-R787 VanDerWaalsContact O-NH1 3.12Å; S783-R787 PolarHBondContact OG-NH1 3.48Å
784	Y	85.3	Confident	89.1	Confident	27 Å²	27	27.8 Å²	27.8	11%	0.106	13%	0.132	C	C	.	.	H	α-helix	trans	-65.7	-47.5	171.1	-179.2	-92.5	0	0	0	111.3	F746 N750 R780 A781 L782 D786 R787 M788 W1060	F746-Y784 HydrophobicContact CE2-CD1 4.35Å; F746-Y784 AromaticContact CZ-CD1 3.76Å; F746-Y784 HydrophobicContact CZ-CD1 3.76Å; F746-Y784 HydrophobicContact CZ-CG 4.12Å; N750-Y784 WeakPolarHBondContact OD1-CE1 3.47Å; R780-Y784 PolarHBondContact O-N 3.24Å; A781-Y784 WeakPolarHBondContact O-CB 3.34Å; A781-Y784 PolarHBondContact O-N 2.85Å; A781-Y784 VanDerWaalsContact O-N 3.1Å; L782-Y784 VanDerWaalsContact C-N 3.3Å; L782-Y784 PolarHBondContact O-N 2.79Å; Y784-D786 VanDerWaalsContact C-N 3.33Å; Y784-D786 PolarHBondContact O-N 3.22Å; Y784-R787 PolarHBondContact O-N 2.99Å; Y784-M788 HydrophobicContact CD1-CG 4.16Å; Y784-M788 HydrophobicContact CE1-CG 3.85Å; Y784-M788 HydrophobicContact CE1-SD 4.36Å; Y784-M788 HydrophobicContact CE2-CE 4.26Å; Y784-M788 WeakPolarHBondContact O-CG 3.26Å; Y784-M788 PolarHBondContact O-N 3.5Å; Y784-M788 VanDerWaalsContact O-N 3.08Å; Y784-W1060 HydrophobicContact CE1-CZ2 4.21Å
785	I	88.3	Confident	88.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.6	-41.3	176.9	-61.2	168.5	0	0	0	111.1	F746 Y756 Y759 A781 L782 R787 M788 L789 F798	F746-I785 HydrophobicContact CE2-CD1 4.26Å; F746-I785 HydrophobicContact CE2-CG1 4.21Å; Y756-I785 HydrophobicContact CD1-CD1 4.45Å; Y756-I785 HydrophobicContact CE1-CD1 4.08Å; Y756-I785 HydrophobicContact CE1-CG1 4.31Å; Y759-I785 HydrophobicContact CD1-CD1 4.37Å; Y759-I785 HydrophobicContact CE1-CD1 4.01Å; A781-I785 PolarHBondContact O-N 3.39Å; A781-I785 VanDerWaalsContact O-N 3.09Å; L782-I785 HydrophobicContact CD2-CD1 4.47Å; L782-I785 PolarHBondContact O-N 2.86Å; I785-R787 PolarHBondContact O-N 2.92Å; I785-M788 WeakPolarHBondContact O-CB 3.29Å; I785-M788 PolarHBondContact O-N 3.4Å; I785-L789 HydrophobicContact CG2-CD1 3.79Å; I785-L789 HydrophobicContact CG2-CG 4.18Å; I785-L789 WeakPolarHBondContact O-CG 3.44Å; I785-L789 PolarHBondContact O-N 3.39Å; I785-F798 HydrophobicContact CB-CE1 4.47Å; I785-F798 HydrophobicContact CB-CE2 4.19Å; I785-F798 HydrophobicContact CB-CZ 3.81Å; I785-F798 HydrophobicContact CG2-CD2 4.08Å; I785-F798 HydrophobicContact CG2-CE1 4.15Å; I785-F798 HydrophobicContact CG2-CE2 3.51Å; I785-F798 HydrophobicContact CG2-CZ 3.55Å
786	D	87.8	Confident	88.3	Confident	11 Å²	11	32.9 Å²	32.9	6%	0.059	17%	0.166	C	C	.	.	H	α-helix	trans	-55.5	-51.9	175.6	-177.9	78.5	0	0	0	111.7	L782 Y784 M788 L789 A790 Y795 F798 Q799 Q839	L782-D786 WeakPolarHBondContact O-CB 3.46Å; L782-D786 PolarHBondContact O-N 3.05Å; Y784-D786 VanDerWaalsContact C-N 3.33Å; Y784-D786 PolarHBondContact O-N 3.22Å; D786-M788 VanDerWaalsContact C-N 3.26Å; D786-M788 PolarHBondContact O-N 3.22Å; D786-L789 PolarHBondContact O-N 3.06Å; D786-A790 PolarHBondContact O-N 3.29Å; D786-Y795 VanDerWaalsContact OD1-CE2 3.23Å; D786-Y795 WeakPolarHBondContact OD1-CE2 3.46Å; D786-Y795 PolarHBondContact OD1-OH 3.39Å; D786-F798 HydrophobicContact CB-CE1 3.83Å; D786-Q799 PolarHBondContact OD1-NE2 2.68Å; D786-Q839 PolarHBondContact OD2-NE2 3.41Å
787	R	81.4	Confident	88	Confident	22 Å²	22	32.7 Å²	32.7	8%	0.083	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-29.4	179	-68.1	-168.5	-60.1	-73.6	-6.3	112.9	S783 Y784 I785 H1015 N1019	S783-R787 WeakPolarHBondContact O-CG 3Å; S783-R787 PolarHBondContact O-N 3.06Å; S783-R787 VanDerWaalsContact O-N 3.17Å; S783-R787 PolarHBondContact O-NH1 2.96Å; S783-R787 VanDerWaalsContact O-NH1 3.12Å; S783-R787 PolarHBondContact OG-NH1 3.48Å; Y784-R787 PolarHBondContact O-N 2.99Å; I785-R787 PolarHBondContact O-N 2.92Å; R787-H1015 PolarHBondContact NE-O 2.82Å; R787-N1019 VanDerWaalsContact CB-ND2 3.33Å; R787-N1019 WeakPolarHBondContact CB-ND2 3.37Å
788	M	78.8	Confident	87.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.1	-48.8	174	-72.5	-70.1	109	0	0	111.2	Y784 I785 D786 A790 N1019 N1020 W1060	Y784-M788 HydrophobicContact CD1-CG 4.16Å; Y784-M788 HydrophobicContact CE1-CG 3.85Å; Y784-M788 HydrophobicContact CE1-SD 4.36Å; Y784-M788 HydrophobicContact CE2-CE 4.26Å; Y784-M788 WeakPolarHBondContact O-CG 3.26Å; Y784-M788 PolarHBondContact O-N 3.5Å; Y784-M788 VanDerWaalsContact O-N 3.08Å; I785-M788 WeakPolarHBondContact O-CB 3.29Å; I785-M788 PolarHBondContact O-N 3.4Å; D786-M788 VanDerWaalsContact C-N 3.26Å; D786-M788 PolarHBondContact O-N 3.22Å; M788-A790 VanDerWaalsContact C-N 3.3Å; M788-A790 PolarHBondContact O-N 2.98Å; M788-N1019 HydrophobicContact CE-CB 3.32Å; M788-N1019 WeakPolarHBondContact CE-ND2 3.35Å; M788-N1019 WeakPolarHBondContact CE-OD1 3.33Å; M788-N1019 HydrophobicContact SD-CB 4.49Å; M788-N1020 PolarHBondContact O-ND2 2.95Å; M788-W1060 HydrophobicContact CB-CE3 4.39Å; M788-W1060 HydrophobicContact CB-CH2 3.92Å; M788-W1060 HydrophobicContact CB-CZ3 3.56Å; M788-W1060 HydrophobicContact CG-CE3 3.85Å; M788-W1060 HydrophobicContact CG-CH2 3.7Å; M788-W1060 HydrophobicContact CG-CZ2 4.37Å; M788-W1060 HydrophobicContact CG-CZ3 3.39Å; M788-W1060 HydrophobicContact SD-CD2 4.12Å; M788-W1060 HydrophobicContact SD-CE3 3.33Å; M788-W1060 HydrophobicContact SD-CH2 4.32Å; M788-W1060 HydrophobicContact SD-CZ3 3.51Å; M788-W1060 VanDerWaalsContact SD-CZ3 3.51Å
789	L	84.4	Confident	87.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-81.7	-5.1	-175.7	-61.3	-178.3	0	0	0	113.5	I785 D786 M791 D792 Y795 F798 I1068 L1072	I785-L789 HydrophobicContact CG2-CD1 3.79Å; I785-L789 HydrophobicContact CG2-CG 4.18Å; I785-L789 WeakPolarHBondContact O-CG 3.44Å; I785-L789 PolarHBondContact O-N 3.39Å; D786-L789 PolarHBondContact O-N 3.06Å; L789-M791 PolarHBondContact O-N 2.88Å; L789-D792 HydrophobicContact CB-CB 4.47Å; L789-D792 HydrophobicContact CD2-CB 4.27Å; L789-D792 WeakPolarHBondContact O-CB 3.41Å; L789-D792 PolarHBondContact O-N 2.9Å; L789-Y795 HydrophobicContact CB-CD2 4.06Å; L789-Y795 VanDerWaalsContact O-CB 3.32Å; L789-Y795 WeakPolarHBondContact O-CB 3.07Å; L789-Y795 WeakPolarHBondContact O-CD2 3.43Å; L789-F798 HydrophobicContact CD1-CB 3.83Å; L789-F798 HydrophobicContact CD1-CD1 4.27Å; L789-F798 HydrophobicContact CD1-CD2 4.07Å; L789-F798 HydrophobicContact CD1-CG 3.78Å; L789-I1068 HydrophobicContact CD1-CG2 3.95Å; L789-L1072 HydrophobicContact CD1-CD1 4.45Å
790	A	82	Confident	87.6	Confident	22 Å²	22	31.1 Å²	31.1	18%	0.182	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-22.8	-172.3	0	0	0	0	0	115.9	D786 M788 Y795 P948	D786-A790 PolarHBondContact O-N 3.29Å; M788-A790 VanDerWaalsContact C-N 3.3Å; M788-A790 PolarHBondContact O-N 2.98Å; A790-Y795 HydrophobicContact CB-CE2 4.33Å; A790-P948 HydrophobicContact CB-CB 4.4Å; A790-P948 HydrophobicContact CB-CG 3.7Å
791	M	76.9	Confident	87.8	Confident	110 Å²	110	27.3 Å²	27.3	54%	0.542	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	13.3	175.6	-57	-167	-15.6	0	0	113.2	L789 N1020	L789-M791 PolarHBondContact O-N 2.88Å; M791-N1020 HydrophobicContact CB-CB 4.44Å; M791-N1020 HydrophobicContact CE-CB 3.44Å; M791-N1020 VanDerWaalsContact CE-CB 3.44Å; M791-N1020 WeakPolarHBondContact CE-O 3.28Å; M791-N1020 HydrophobicContact CG-CB 4.01Å; M791-N1020 HydrophobicContact SD-CB 3.63Å
792	D	81.9	Confident	87.9	Confident	21 Å²	21	27.3 Å²	27.3	11%	0.112	15%	0.148	C	C	.	.	S	Bend	trans	-99.4	151	-178.9	-169.4	76.1	0	0	0	111.5	L789 S794 Y795 R1065	L789-D792 HydrophobicContact CB-CB 4.47Å; L789-D792 HydrophobicContact CD2-CB 4.27Å; L789-D792 WeakPolarHBondContact O-CB 3.41Å; L789-D792 PolarHBondContact O-N 2.9Å; D792-S794 PolarHBondContact O-N 2.94Å; D792-S794 VanDerWaalsContact OD2-CB 3.25Å; D792-S794 WeakPolarHBondContact OD2-CB 3.37Å; D792-S794 PolarHBondContact OD2-N 3.02Å; D792-S794 PolarHBondContact OD2-OG 3.33Å; D792-Y795 VanDerWaalsContact O-CB 3.27Å; D792-Y795 WeakPolarHBondContact O-CB 3.4Å; D792-Y795 PolarHBondContact O-N 3.12Å; D792-R1065 WeakPolarHBondContact OD1-CD 3.21Å; D792-R1065 IonicContact OD1-CZ 3.77Å; D792-R1065 IonicContact OD1-NE 3.53Å; D792-R1065 IonicContact OD1-NH1 2.72Å; D792-R1065 PolarHBondContact OD1-NH1 3.25Å
793	E	84.1	Confident	88	Confident	190 Å²	190	30.5 Å²	30.5	89%	0.888	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.4	179.1	63	177.6	-165.9	0	0	113	Y795	E793-Y795 PolarHBondContact O-N 2.78Å
794	S	87.5	Confident	88.2	Confident	7 Å²	7	32.4 Å²	32.4	5%	0.049	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.1	177	68	0	0	0	0	114	D792 G796 A797 F798 S1069	D792-S794 PolarHBondContact O-N 2.94Å; D792-S794 VanDerWaalsContact OD2-CB 3.25Å; D792-S794 WeakPolarHBondContact OD2-CB 3.37Å; D792-S794 PolarHBondContact OD2-N 3.02Å; D792-S794 PolarHBondContact OD2-OG 3.33Å; S794-G796 VanDerWaalsContact C-N 3.33Å; S794-G796 PolarHBondContact O-N 3.02Å; S794-A797 PolarHBondContact O-N 3.42Å; S794-A797 VanDerWaalsContact O-N 3.12Å; S794-F798 PolarHBondContact O-N 2.84Å; S794-S1069 WeakPolarHBondContact CB-OG 2.85Å; S794-S1069 PolarHBondContact OG-OG 3.39Å
795	Y	89.4	Confident	88.7	Confident	60 Å²	60	31.1 Å²	31.1	24%	0.235	17%	0.166	C	C	.	.	H	α-helix	trans	-55.1	-46.1	-175.4	-169.2	-119	0	0	0	112.8	D786 L789 A790 D792 E793 A797 F798 Q799	D786-Y795 VanDerWaalsContact OD1-CE2 3.23Å; D786-Y795 WeakPolarHBondContact OD1-CE2 3.46Å; D786-Y795 PolarHBondContact OD1-OH 3.39Å; L789-Y795 HydrophobicContact CB-CD2 4.06Å; L789-Y795 VanDerWaalsContact O-CB 3.32Å; L789-Y795 WeakPolarHBondContact O-CB 3.07Å; L789-Y795 WeakPolarHBondContact O-CD2 3.43Å; A790-Y795 HydrophobicContact CB-CE2 4.33Å; D792-Y795 VanDerWaalsContact O-CB 3.27Å; D792-Y795 WeakPolarHBondContact O-CB 3.4Å; D792-Y795 PolarHBondContact O-N 3.12Å; E793-Y795 PolarHBondContact O-N 2.78Å; Y795-A797 VanDerWaalsContact C-N 3.33Å; Y795-A797 PolarHBondContact O-N 3.49Å; Y795-F798 WeakPolarHBondContact O-CB 3.5Å; Y795-F798 PolarHBondContact O-N 3.21Å; Y795-F798 VanDerWaalsContact O-N 3.13Å; Y795-Q799 HydrophobicContact CD1-CG 4.13Å; Y795-Q799 HydrophobicContact CE1-CG 3.85Å; Y795-Q799 HydrophobicContact CE2-CG 4.4Å; Y795-Q799 WeakPolarHBondContact O-CG 3.46Å; Y795-Q799 PolarHBondContact O-N 3.43Å; Y795-Q799 PolarHBondContact OH-NE2 2.87Å
796	G	89.9	Confident	89.1	Confident	47 Å²	47	31.3 Å²	31.3	49%	0.485	17%	0.167	S	C	.	.	H	α-helix	trans	-61.7	-39.7	-179.8	0	0	0	0	0	113	S794 Q799 A800	S794-G796 VanDerWaalsContact C-N 3.33Å; S794-G796 PolarHBondContact O-N 3.02Å; G796-Q799 PolarHBondContact O-N 3.16Å; G796-A800 PolarHBondContact O-N 3.47Å
797	A	92.5	Very high	89.4	Confident	6 Å²	6	33.7 Å²	33.7	5%	0.05	18%	0.18	C	C	.	.	H	α-helix	trans	-68.2	-37.1	175.3	0	0	0	0	0	111.5	S794 Y795 A800 Y801 L1072 T1079	S794-A797 PolarHBondContact O-N 3.42Å; S794-A797 VanDerWaalsContact O-N 3.12Å; Y795-A797 VanDerWaalsContact C-N 3.33Å; Y795-A797 PolarHBondContact O-N 3.49Å; A797-A800 WeakPolarHBondContact O-CB 3.3Å; A797-A800 PolarHBondContact O-N 3.37Å; A797-Y801 PolarHBondContact O-N 3.39Å; A797-L1072 HydrophobicContact CB-CB 4.12Å; A797-L1072 HydrophobicContact CB-CD1 4.47Å; A797-T1079 HydrophobicContact CB-CG2 3.99Å
798	F	94	Very high	89.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-45.2	173.7	-177.4	-109.4	0	0	0	112.1	L782 I785 D786 L789 S794 Y795 A800 Y801 L802 L1072	L782-F798 HydrophobicContact CD2-CE2 4.28Å; L782-F798 HydrophobicContact CD2-CZ 4.15Å; I785-F798 HydrophobicContact CB-CE1 4.47Å; I785-F798 HydrophobicContact CB-CE2 4.19Å; I785-F798 HydrophobicContact CB-CZ 3.81Å; I785-F798 HydrophobicContact CG2-CD2 4.08Å; I785-F798 HydrophobicContact CG2-CE1 4.15Å; I785-F798 HydrophobicContact CG2-CE2 3.51Å; I785-F798 HydrophobicContact CG2-CZ 3.55Å; D786-F798 HydrophobicContact CB-CE1 3.83Å; L789-F798 HydrophobicContact CD1-CB 3.83Å; L789-F798 HydrophobicContact CD1-CD1 4.27Å; L789-F798 HydrophobicContact CD1-CD2 4.07Å; L789-F798 HydrophobicContact CD1-CG 3.78Å; S794-F798 PolarHBondContact O-N 2.84Å; Y795-F798 WeakPolarHBondContact O-CB 3.5Å; Y795-F798 PolarHBondContact O-N 3.21Å; Y795-F798 VanDerWaalsContact O-N 3.13Å; F798-A800 VanDerWaalsContact C-N 3.28Å; F798-A800 PolarHBondContact O-N 2.98Å; F798-Y801 WeakPolarHBondContact O-CB 3Å; F798-Y801 PolarHBondContact O-N 3.41Å; F798-Y801 VanDerWaalsContact O-N 3.11Å; F798-L802 HydrophobicContact CD1-CD1 4.13Å; F798-L802 HydrophobicContact CD1-CG 4.33Å; F798-L802 HydrophobicContact CE1-CD1 3.62Å; F798-L802 HydrophobicContact CE1-CD2 4.22Å; F798-L802 HydrophobicContact CE1-CG 3.94Å; F798-L802 HydrophobicContact CE2-CD2 4.24Å; F798-L802 HydrophobicContact CE2-CG 4.46Å; F798-L802 HydrophobicContact CZ-CD1 4.08Å; F798-L802 HydrophobicContact CZ-CD2 3.81Å; F798-L802 HydrophobicContact CZ-CG 4.01Å; F798-L802 WeakPolarHBondContact O-CG 3.32Å; F798-L802 PolarHBondContact O-N 3.42Å; F798-L1072 HydrophobicContact CB-CD1 3.88Å; F798-L1072 HydrophobicContact CB-CD2 4.49Å; F798-L1072 HydrophobicContact CD2-CD1 4.46Å; F798-L1072 HydrophobicContact CD2-CD2 4.43Å
799	Q	94.2	Very high	90.7	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-41.9	173.4	-64.9	-52	-57.7	0	0	111.5	D786 Y795 G796 Y801 L802 R803 Q839 A840	D786-Q799 PolarHBondContact OD1-NE2 2.68Å; Y795-Q799 HydrophobicContact CD1-CG 4.13Å; Y795-Q799 HydrophobicContact CE1-CG 3.85Å; Y795-Q799 HydrophobicContact CE2-CG 4.4Å; Y795-Q799 WeakPolarHBondContact O-CG 3.46Å; Y795-Q799 PolarHBondContact O-N 3.43Å; Y795-Q799 PolarHBondContact OH-NE2 2.87Å; G796-Q799 PolarHBondContact O-N 3.16Å; Q799-Y801 VanDerWaalsContact C-N 3.34Å; Q799-Y801 PolarHBondContact O-N 2.83Å; Q799-L802 PolarHBondContact O-N 3.4Å; Q799-R803 WeakPolarHBondContact O-CG 3.23Å; Q799-R803 PolarHBondContact O-N 3.43Å; Q799-R803 PolarHBondContact O-NH1 3Å; Q799-Q839 PolarHBondContact OE1-O 3.34Å; Q799-A840 VanDerWaalsContact OE1-CA 3.25Å
800	A	94.2	Very high	91.2	Very high	13 Å²	13	37.6 Å²	37.6	11%	0.107	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-43.3	174.9	0	0	0	0	0	111.8	G796 A797 F798 R803 T804 V1076	G796-A800 PolarHBondContact O-N 3.47Å; A797-A800 WeakPolarHBondContact O-CB 3.3Å; A797-A800 PolarHBondContact O-N 3.37Å; F798-A800 VanDerWaalsContact C-N 3.28Å; F798-A800 PolarHBondContact O-N 2.98Å; A800-R803 VanDerWaalsContact CA-NH2 3.28Å; A800-R803 WeakPolarHBondContact O-CB 3.35Å; A800-R803 PolarHBondContact O-N 3.27Å; A800-T804 VanDerWaalsContact O-CG2 3.28Å; A800-T804 WeakPolarHBondContact O-CG2 3.46Å; A800-T804 PolarHBondContact O-N 3.37Å; A800-T804 VanDerWaalsContact O-N 3.09Å; A800-V1076 HydrophobicContact CB-CG1 3.86Å
801	Y	96	Very high	91.6	Very high	8 Å²	8	43 Å²	43	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-48.3	174.5	-179.9	-122.6	0	0	0	112.4	L760 T763 A797 F798 Q799 R803 T804 L805 W1071 L1072 V1076	L760-Y801 HydrophobicContact CD2-CE1 4.2Å; L760-Y801 PolarHBondContact O-OH 2.85Å; L760-Y801 VanDerWaalsContact O-OH 3.13Å; T763-Y801 PolarHBondContact OG1-OH 3.05Å; A797-Y801 PolarHBondContact O-N 3.39Å; F798-Y801 WeakPolarHBondContact O-CB 3Å; F798-Y801 PolarHBondContact O-N 3.41Å; F798-Y801 VanDerWaalsContact O-N 3.11Å; Q799-Y801 VanDerWaalsContact C-N 3.34Å; Q799-Y801 PolarHBondContact O-N 2.83Å; Y801-R803 VanDerWaalsContact C-N 3.29Å; Y801-R803 PolarHBondContact O-N 3.3Å; Y801-T804 WeakPolarHBondContact O-CA 3.23Å; Y801-T804 PolarHBondContact O-N 2.75Å; Y801-T804 PolarHBondContact O-OG1 2.91Å; Y801-L805 HydrophobicContact CD1-CD1 4.16Å; Y801-L805 HydrophobicContact CD2-CG 4.5Å; Y801-L805 HydrophobicContact CE1-CD1 3.55Å; Y801-L805 HydrophobicContact CE1-CG 4.1Å; Y801-L805 HydrophobicContact CE2-CD1 4.34Å; Y801-L805 HydrophobicContact CE2-CD2 4.01Å; Y801-L805 HydrophobicContact CE2-CG 3.98Å; Y801-L805 PolarHBondContact O-N 3.09Å; Y801-W1071 HydrophobicContact CD1-CH2 4.48Å; Y801-W1071 HydrophobicContact CD1-CZ3 4.11Å; Y801-W1071 HydrophobicContact CD2-CH2 4.07Å; Y801-W1071 HydrophobicContact CD2-CZ3 4.03Å; Y801-W1071 AromaticContact CE1-CH2 3.96Å; Y801-W1071 HydrophobicContact CE1-CH2 3.96Å; Y801-W1071 AromaticContact CE1-CZ3 4Å; Y801-W1071 HydrophobicContact CE1-CZ3 4Å; Y801-W1071 AromaticContact CE2-CH2 3.53Å; Y801-W1071 HydrophobicContact CE2-CH2 3.53Å; Y801-W1071 AromaticContact CE2-CZ3 3.95Å; Y801-W1071 HydrophobicContact CE2-CZ3 3.95Å; Y801-W1071 HydrophobicContact CG-CZ3 4.12Å; Y801-W1071 AromaticContact CZ-CH2 3.46Å; Y801-W1071 VanDerWaalsContact CZ-CH2 3.46Å; Y801-W1071 AromaticContact CZ-CZ3 3.92Å; Y801-L1072 HydrophobicContact CG-CD2 4.31Å; Y801-V1076 HydrophobicContact CD2-CG2 4.3Å; Y801-V1076 HydrophobicContact CG-CG2 4.45Å
802	L	95.7	Very high	92	Very high	5 Å²	5	41 Å²	41	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-55.7	-43.8	176.8	-68	-175.3	0	0	0	111.7	L782 F798 Q799 T804 L805 V806 A840	L782-L802 HydrophobicContact CB-CD2 4.11Å; L782-L802 HydrophobicContact CD1-CD2 3.78Å; L782-L802 HydrophobicContact CD2-CD2 3.93Å; L782-L802 HydrophobicContact CG-CD2 4.15Å; F798-L802 HydrophobicContact CD1-CD1 4.13Å; F798-L802 HydrophobicContact CD1-CG 4.33Å; F798-L802 HydrophobicContact CE1-CD1 3.62Å; F798-L802 HydrophobicContact CE1-CD2 4.22Å; F798-L802 HydrophobicContact CE1-CG 3.94Å; F798-L802 HydrophobicContact CE2-CD2 4.24Å; F798-L802 HydrophobicContact CE2-CG 4.46Å; F798-L802 HydrophobicContact CZ-CD1 4.08Å; F798-L802 HydrophobicContact CZ-CD2 3.81Å; F798-L802 HydrophobicContact CZ-CG 4.01Å; F798-L802 WeakPolarHBondContact O-CG 3.32Å; F798-L802 PolarHBondContact O-N 3.42Å; Q799-L802 PolarHBondContact O-N 3.4Å; L802-T804 VanDerWaalsContact C-N 3.32Å; L802-T804 PolarHBondContact O-N 3.4Å; L802-L805 PolarHBondContact O-N 3.13Å; L802-L805 VanDerWaalsContact O-N 3.15Å; L802-V806 WeakPolarHBondContact O-CG2 3.08Å; L802-V806 PolarHBondContact O-N 3.17Å; L802-V806 VanDerWaalsContact O-N 3.14Å; L802-A840 HydrophobicContact CB-CB 3.69Å; L802-A840 HydrophobicContact CD1-CB 4.38Å
803	R	95	Very high	92.3	Very high	69 Å²	69	40.7 Å²	40.7	26%	0.26	22%	0.218	S	C	.	.	H	α-helix	trans	-57.8	-43.7	174.1	-71.2	-173.8	-68.3	-87.9	6	111.7	Q799 A800 Y801 L805 V806 D807 A840 H842	Q799-R803 WeakPolarHBondContact O-CG 3.23Å; Q799-R803 PolarHBondContact O-N 3.43Å; Q799-R803 PolarHBondContact O-NH1 3Å; A800-R803 VanDerWaalsContact CA-NH2 3.28Å; A800-R803 WeakPolarHBondContact O-CB 3.35Å; A800-R803 PolarHBondContact O-N 3.27Å; Y801-R803 VanDerWaalsContact C-N 3.29Å; Y801-R803 PolarHBondContact O-N 3.3Å; R803-L805 VanDerWaalsContact C-N 3.27Å; R803-L805 PolarHBondContact O-N 2.99Å; R803-V806 PolarHBondContact O-N 3.44Å; R803-D807 WeakPolarHBondContact O-CB 3.1Å; R803-D807 PolarHBondContact O-N 3.05Å; R803-A840 VanDerWaalsContact CD-O 3.28Å; R803-A840 WeakPolarHBondContact CD-O 3.37Å; R803-A840 HydrophobicContact CG-CB 3.88Å; R803-A840 WeakPolarHBondContact CG-O 3.25Å; R803-A840 PolarHBondContact NH1-O 3.46Å; R803-H842 HydrophobicContact CG-CB 4.35Å
804	T	94.2	Very high	92.4	Very high	55 Å²	55	34.7 Å²	34.7	34%	0.337	19%	0.192	S	C	.	.	H	α-helix	trans	-65.6	-28.6	178.5	75.3	0	0	0	0	113.8	K767 A800 Y801 L802	K767-T804 WeakPolarHBondContact CE-O 3.38Å; A800-T804 VanDerWaalsContact O-CG2 3.28Å; A800-T804 WeakPolarHBondContact O-CG2 3.46Å; A800-T804 PolarHBondContact O-N 3.37Å; A800-T804 VanDerWaalsContact O-N 3.09Å; Y801-T804 WeakPolarHBondContact O-CA 3.23Å; Y801-T804 PolarHBondContact O-N 2.75Å; Y801-T804 PolarHBondContact O-OG1 2.91Å; L802-T804 VanDerWaalsContact C-N 3.32Å; L802-T804 PolarHBondContact O-N 3.4Å
805	L	95.2	Very high	92.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-73.4	-42.3	177.6	-73.7	-178.5	0	0	0	111.6	T763 K767 W775 L782 Y801 L802 R803 P809	T763-L805 VanDerWaalsContact O-CD2 3.29Å; T763-L805 WeakPolarHBondContact O-CD2 3.43Å; K767-L805 HydrophobicContact CG-CD2 4.46Å; W775-L805 HydrophobicContact CH2-CB 4.5Å; L782-L805 HydrophobicContact CD1-CD1 4.27Å; Y801-L805 HydrophobicContact CD1-CD1 4.16Å; Y801-L805 HydrophobicContact CD2-CG 4.5Å; Y801-L805 HydrophobicContact CE1-CD1 3.55Å; Y801-L805 HydrophobicContact CE1-CG 4.1Å; Y801-L805 HydrophobicContact CE2-CD1 4.34Å; Y801-L805 HydrophobicContact CE2-CD2 4.01Å; Y801-L805 HydrophobicContact CE2-CG 3.98Å; Y801-L805 PolarHBondContact O-N 3.09Å; L802-L805 PolarHBondContact O-N 3.13Å; L802-L805 VanDerWaalsContact O-N 3.15Å; R803-L805 VanDerWaalsContact C-N 3.27Å; R803-L805 PolarHBondContact O-N 2.99Å; L805-P809 WeakPolarHBondContact O-CD 3.34Å
806	V	95.6	Very high	92.1	Very high	3 Å²	3	37 Å²	37	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-89.2	-16.4	-173.9	-57.4	0	0	0	0	114.3	W775 L802 R803 D808 P809 L810 L836 A837	W775-V806 HydrophobicContact CH2-CG1 4.33Å; W775-V806 HydrophobicContact CZ3-CG1 4.16Å; L802-V806 WeakPolarHBondContact O-CG2 3.08Å; L802-V806 PolarHBondContact O-N 3.17Å; L802-V806 VanDerWaalsContact O-N 3.14Å; R803-V806 PolarHBondContact O-N 3.44Å; V806-D808 PolarHBondContact O-N 3.08Å; V806-P809 WeakPolarHBondContact O-CD 3.32Å; V806-L810 WeakPolarHBondContact O-CB 3.36Å; V806-L810 PolarHBondContact O-N 2.85Å; V806-L836 HydrophobicContact CG1-CB 3.95Å; V806-L836 HydrophobicContact CG1-CD1 4.42Å; V806-A837 HydrophobicContact CG2-CB 3.94Å
807	D	94.1	Very high	91.8	Very high	62 Å²	62	37.3 Å²	37.3	33%	0.332	20%	0.202	S	C	.	.	H	α-helix	trans	-51.6	-50	-173.9	-176.4	69.5	0	0	0	113.3	R803 K811 H842	R803-D807 WeakPolarHBondContact O-CB 3.1Å; R803-D807 PolarHBondContact O-N 3.05Å; D807-K811 WeakPolarHBondContact O-CE 3.48Å; D807-K811 WeakPolarHBondContact O-CG 3.15Å; D807-K811 WeakPolarHBondContact OD2-CE 3.38Å; D807-K811 IonicContact OD2-NZ 3.86Å; D807-K811 PolarHBondContact OD2-NZ 3.21Å; D807-H842 IonicContact OD1-CE1 2.72Å; D807-H842 IonicContact OD1-NE2 3.84Å; D807-H842 PolarHBondContact OD1-NE2 3.32Å
808	D	93.7	Very high	91.2	Very high	79 Å²	79	37.2 Å²	37.2	42%	0.422	20%	0.201	S	C	.	.	H	α-helix	trans	-70	-53.3	179	-72.8	-29.9	0	0	0	112.6	V806 L810 K811	V806-D808 PolarHBondContact O-N 3.08Å; D808-L810 PolarHBondContact O-N 3.28Å; D808-K811 WeakPolarHBondContact O-CB 3.34Å; D808-K811 PolarHBondContact O-N 3.1Å; D808-K811 VanDerWaalsContact O-N 3.09Å; D808-K811 IonicContact OD1-NZ 3.93Å; D808-K811 PolarHBondContact OD1-NZ 3.14Å
809	P	95.1	Very high	90.4	Very high	10 Å²	10	45.2 Å²	45.2	7%	0.065	24%	0.236	C	C	.	.	H	α-helix	trans	-54.6	-37.8	175.4	-24.6	27.5	0	0	0	113.9	W775 L805 V806 K811 S812 L833	W775-P809 HydrophobicContact CH2-CG 3.99Å; W775-P809 HydrophobicContact CZ2-CB 3.96Å; W775-P809 HydrophobicContact CZ2-CG 3.32Å; L805-P809 WeakPolarHBondContact O-CD 3.34Å; V806-P809 WeakPolarHBondContact O-CD 3.32Å; P809-K811 PolarHBondContact O-N 3.08Å; P809-S812 WeakPolarHBondContact O-CB 3.37Å; P809-S812 PolarHBondContact O-N 3.24Å; P809-S812 PolarHBondContact O-OG 3.02Å; P809-L833 HydrophobicContact CB-CD1 3.77Å; P809-L833 HydrophobicContact CB-CD2 3.79Å; P809-L833 HydrophobicContact CB-CG 4.45Å
810	L	93.4	Very high	89.7	Confident	14 Å²	14	51.2 Å²	51.2	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-25	-179	-169.6	65.5	0	0	0	112.4	V806 D808 S812 V813 A837 H842 S844	V806-L810 WeakPolarHBondContact O-CB 3.36Å; V806-L810 PolarHBondContact O-N 2.85Å; D808-L810 PolarHBondContact O-N 3.28Å; L810-S812 PolarHBondContact O-N 2.92Å; L810-V813 HydrophobicContact CD1-CB 4.18Å; L810-V813 HydrophobicContact CD1-CG2 4.07Å; L810-V813 WeakPolarHBondContact O-CB 3.23Å; L810-V813 PolarHBondContact O-N 3.04Å; L810-A837 HydrophobicContact CD1-CB 3.86Å; L810-A837 HydrophobicContact CD2-CB 3.68Å; L810-A837 HydrophobicContact CG-CB 4.36Å; L810-H842 WeakPolarHBondContact CD2-ND1 3.43Å; L810-S844 WeakPolarHBondContact CD2-OG 3.45Å
811	K	91.1	Very high	89.1	Confident	136 Å²	136	52.2 Å²	52.2	59%	0.591	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.3	174.9	-65.8	162.9	-166.9	160.3	0	112.5	D807 D808 P809 V813	D807-K811 WeakPolarHBondContact O-CE 3.48Å; D807-K811 WeakPolarHBondContact O-CG 3.15Å; D807-K811 WeakPolarHBondContact OD2-CE 3.38Å; D807-K811 IonicContact OD2-NZ 3.86Å; D807-K811 PolarHBondContact OD2-NZ 3.21Å; D808-K811 WeakPolarHBondContact O-CB 3.34Å; D808-K811 PolarHBondContact O-N 3.1Å; D808-K811 VanDerWaalsContact O-N 3.09Å; D808-K811 IonicContact OD1-NZ 3.93Å; D808-K811 PolarHBondContact OD1-NZ 3.14Å; P809-K811 PolarHBondContact O-N 3.08Å; K811-V813 VanDerWaalsContact C-N 3.35Å
812	S	86.4	Confident	88.5	Confident	69 Å²	69	60.9 Å²	60.9	48%	0.483	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-11.1	174.6	75.4	0	0	0	0	113.7	P809 L810 D814	P809-S812 WeakPolarHBondContact O-CB 3.37Å; P809-S812 PolarHBondContact O-N 3.24Å; P809-S812 PolarHBondContact O-OG 3.02Å; L810-S812 PolarHBondContact O-N 2.92Å; S812-D814 PolarHBondContact O-N 3.46Å
813	V	87.8	Confident	88.2	Confident	14 Å²	14	64.2 Å²	64.2	9%	0.085	32%	0.323	C	S	.	.			trans	-85.7	91.4	-177	-179.3	0	0	0	0	109.6	L810 K811 R830 L833	L810-V813 HydrophobicContact CD1-CB 4.18Å; L810-V813 HydrophobicContact CD1-CG2 4.07Å; L810-V813 WeakPolarHBondContact O-CB 3.23Å; L810-V813 PolarHBondContact O-N 3.04Å; K811-V813 VanDerWaalsContact C-N 3.35Å; V813-R830 HydrophobicContact CB-CG 4.39Å; V813-R830 HydrophobicContact CG1-CB 4.08Å; V813-R830 HydrophobicContact CG1-CG 3.94Å; V813-R830 HydrophobicContact CG2-CG 4.24Å; V813-L833 HydrophobicContact CG2-CB 4.05Å; V813-L833 HydrophobicContact CG2-CD1 3.81Å
814	D	85.9	Confident	88.1	Confident	63 Å²	63	61.3 Å²	61.3	34%	0.337	31%	0.312	S	S	.	.			trans	-84	122.9	166.9	-168.6	-14.4	0	0	0	110.9	S812 T816 T817 M818 R830	S812-D814 PolarHBondContact O-N 3.46Å; D814-T816 WeakPolarHBondContact OD1-CB 3.3Å; D814-T816 PolarHBondContact OD1-N 3.23Å; D814-T816 PolarHBondContact OD1-OG1 2.64Å; D814-T817 VanDerWaalsContact OD2-CG2 3.31Å; D814-T817 WeakPolarHBondContact OD2-CG2 3.42Å; D814-T817 PolarHBondContact OD2-OG1 2.66Å; D814-M818 WeakPolarHBondContact O-CG 3.46Å; D814-R830 PolarHBondContact O-NE 3.27Å
815	W	88	Confident	88	Confident	19 Å²	19	60.3 Å²	60.3	7%	0.072	30%	0.304	C	S	.	.	S	Bend	trans	-85.6	-22.6	179.7	-66.6	50	0	0	0	112.2	T834 M848 A849 Y852 P866 L869 V873	W815-T834 HydrophobicContact CH2-CG2 3.84Å; W815-T834 HydrophobicContact CZ2-CG2 3.53Å; W815-M848 HydrophobicContact CB-CE 4.47Å; W815-M848 HydrophobicContact CD2-CB 4.42Å; W815-M848 HydrophobicContact CE3-CB 4.4Å; W815-M848 HydrophobicContact CG-CE 4.44Å; W815-M848 HydrophobicContact CH2-CB 4.08Å; W815-M848 HydrophobicContact CZ2-CB 4.11Å; W815-M848 HydrophobicContact CZ3-CB 4.22Å; W815-A849 HydrophobicContact CH2-CB 4.24Å; W815-Y852 HydrophobicContact CB-CE2 4.02Å; W815-Y852 HydrophobicContact CD2-CE2 4.13Å; W815-Y852 AromaticContact CE3-CD2 3.53Å; W815-Y852 HydrophobicContact CE3-CD2 3.53Å; W815-Y852 AromaticContact CE3-CE2 3.39Å; W815-Y852 HydrophobicContact CE3-CE2 3.39Å; W815-Y852 HydrophobicContact CG-CE2 4.42Å; W815-Y852 AromaticContact CZ3-CD2 3.8Å; W815-Y852 HydrophobicContact CZ3-CD2 3.8Å; W815-Y852 HydrophobicContact CZ3-CE2 4.14Å; W815-P866 WeakPolarHBondContact O-CG 3.43Å; W815-L869 HydrophobicContact CB-CD1 4.39Å; W815-L869 HydrophobicContact CD2-CD1 3.46Å; W815-L869 VanDerWaalsContact CD2-CD1 3.46Å; W815-L869 HydrophobicContact CE3-CD1 3.47Å; W815-L869 VanDerWaalsContact CE3-CD1 3.47Å; W815-L869 HydrophobicContact CG-CD1 3.89Å; W815-L869 HydrophobicContact CH2-CD1 4.43Å; W815-L869 HydrophobicContact CZ2-CD1 4.41Å; W815-L869 HydrophobicContact CZ3-CD1 4Å; W815-V873 HydrophobicContact CH2-CG2 3.88Å; W815-V873 HydrophobicContact CZ3-CG2 3.45Å; W815-V873 VanDerWaalsContact CZ3-CG2 3.45Å
816	T	83.5	Confident	87.8	Confident	96 Å²	96	64 Å²	64	59%	0.589	32%	0.32	S	S	*	.	S	Bend	trans	-85.9	-32.7	-169.8	64.3	0	0	0	0	113	D814	D814-T816 WeakPolarHBondContact OD1-CB 3.3Å; D814-T816 PolarHBondContact OD1-N 3.23Å; D814-T816 PolarHBondContact OD1-OG1 2.64Å
817	T	81.6	Confident	87.6	Confident	54 Å²	54	65 Å²	65	33%	0.331	33%	0.325	S	S	.	.	S	Bend	trans	-97.1	13.9	-177.2	70.9	0	0	0	0	113.6	D814 K819 E820 D821	D814-T817 VanDerWaalsContact OD2-CG2 3.31Å; D814-T817 WeakPolarHBondContact OD2-CG2 3.42Å; D814-T817 PolarHBondContact OD2-OG1 2.66Å; T817-K819 VanDerWaalsContact C-N 3.3Å; T817-K819 PolarHBondContact O-N 2.88Å; T817-E820 WeakPolarHBondContact CA-OE2 3.35Å; T817-E820 PolarHBondContact O-N 3.03Å; T817-D821 WeakPolarHBondContact O-CB 3.23Å; T817-D821 PolarHBondContact O-N 3.09Å; T817-D821 VanDerWaalsContact O-N 3.1Å
818	M	81	Confident	87.5	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.025	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-33.2	-173.2	-70.7	-166.9	71.7	0	0	112.3	D814 E820 H827 R830 P866 L869	D814-M818 WeakPolarHBondContact O-CG 3.46Å; M818-E820 VanDerWaalsContact C-N 3.33Å; M818-H827 WeakPolarHBondContact CE-ND1 3.05Å; M818-H827 PolarHBondContact O-CE1 3.05Å; M818-H827 PolarHBondContact O-NE2 3.19Å; M818-R830 HydrophobicContact CE-CB 4.28Å; M818-P866 HydrophobicContact CB-CB 4.33Å; M818-P866 HydrophobicContact SD-CB 3.86Å; M818-P866 HydrophobicContact SD-CG 4.2Å; M818-L869 HydrophobicContact CE-CD2 4.25Å; M818-L869 HydrophobicContact CE-CG 4.12Å; M818-L869 HydrophobicContact SD-CD1 3.48Å; M818-L869 WeakPolarHBondContact SD-CD1 3.39Å; M818-L869 HydrophobicContact SD-CD2 4.18Å; M818-L869 HydrophobicContact SD-CG 3.61Å
819	K	76.3	Confident	87.5	Confident	168 Å²	168	59.8 Å²	59.8	73%	0.73	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-32.2	-179.3	-72.5	-170.8	174.3	-167.5	0	112.4	T817	T817-K819 VanDerWaalsContact C-N 3.3Å; T817-K819 PolarHBondContact O-N 2.88Å
820	E	79.6	Confident	87.3	Confident	132 Å²	132	59.5 Å²	59.5	62%	0.617	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-27.1	-178.7	-59.7	75.9	-167.6	0	0	112.2	T817 M818 K822	T817-E820 WeakPolarHBondContact CA-OE2 3.35Å; T817-E820 PolarHBondContact O-N 3.03Å; M818-E820 VanDerWaalsContact C-N 3.33Å; E820-K822 PolarHBondContact O-N 3.07Å
821	D	81.9	Confident	87.2	Confident	34 Å²	34	59.5 Å²	59.5	18%	0.182	29%	0.294	C	S	.	.			trans	-74.8	122.2	-179.5	-159	-21.5	0	0	0	110.8	T817 D823 K826 H827 R830	T817-D821 WeakPolarHBondContact O-CB 3.23Å; T817-D821 PolarHBondContact O-N 3.09Å; T817-D821 VanDerWaalsContact O-N 3.1Å; D821-D823 WeakPolarHBondContact OD1-CB 3.43Å; D821-D823 PolarHBondContact OD1-N 2.64Å; D821-D823 VanDerWaalsContact OD1-N 3.13Å; D821-K826 WeakPolarHBondContact OD2-CD 3.29Å; D821-K826 WeakPolarHBondContact OD2-CE 3.46Å; D821-K826 IonicContact OD2-NZ 3.89Å; D821-K826 PolarHBondContact OD2-NZ 3.32Å; D821-H827 PolarHBondContact O-NE2 2.98Å; D821-R830 IonicContact OD2-CZ 3.86Å; D821-R830 IonicContact OD2-NH1 2.62Å; D821-R830 PolarHBondContact OD2-NH1 3.14Å; D821-R830 IonicContact OD2-NH2 2.84Å; D821-R830 PolarHBondContact OD2-NH2 3.17Å
822	K	83.3	Confident	87.3	Confident	191 Å²	191	53.1 Å²	53.1	83%	0.83	27%	0.266	S	S	*	.			trans	-97.4	-1.3	-178.4	-64.7	-177.7	178.3	-178.7	0	113.1	E820 H824	E820-K822 PolarHBondContact O-N 3.07Å; K822-H824 PolarHBondContact O-N 3.27Å
823	D	90	Very high	87.8	Confident	74 Å²	74	49.9 Å²	49.9	40%	0.396	24%	0.244	S	C	.	.			trans	-78.3	101.4	-179.3	-175.9	-28.1	0	0	0	111	D821 M825 K826 H827	D821-D823 WeakPolarHBondContact OD1-CB 3.43Å; D821-D823 PolarHBondContact OD1-N 2.64Å; D821-D823 VanDerWaalsContact OD1-N 3.13Å; D823-M825 PolarHBondContact O-N 3.25Å; D823-M825 PolarHBondContact OD1-N 3.46Å; D823-M825 VanDerWaalsContact OD1-N 3.14Å; D823-K826 HydrophobicContact CB-CB 3.81Å; D823-K826 HydrophobicContact CB-CD 4.39Å; D823-K826 VanDerWaalsContact CG-CB 3.46Å; D823-K826 WeakPolarHBondContact O-CB 3.26Å; D823-K826 PolarHBondContact O-N 2.94Å; D823-K826 WeakPolarHBondContact OD1-CB 3.38Å; D823-K826 PolarHBondContact OD1-N 3.06Å; D823-H827 PolarHBondContact O-CD2 2.78Å; D823-H827 PolarHBondContact O-N 3.22Å
824	H	92.1	Very high	88.1	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-42.5	-176.7	-175.2	69.6	0	0	0	113.6	A454 Q458 W507 K822 K826 H827 M828	A454-H824 PolarHBondContact O-CE1 3.27Å; Q458-H824 PolarHBondContact OE1-NE2 2.91Å; W507-H824 AromaticContact CD1-CD2 3.48Å; W507-H824 VanDerWaalsContact CD1-CD2 3.48Å; W507-H824 AromaticContact CD1-CG 3.43Å; W507-H824 VanDerWaalsContact CD1-CG 3.43Å; W507-H824 HydrophobicContact CD2-CB 4.47Å; W507-H824 AromaticContact CD2-CD2 3.5Å; W507-H824 AromaticContact CD2-CG 3.86Å; W507-H824 AromaticContact CD2-NE2 3.69Å; W507-H824 AromaticContact CE2-CD2 3.84Å; W507-H824 AromaticContact CE2-CG 3.7Å; W507-H824 AromaticContact CE2-ND1 3.85Å; W507-H824 AromaticContact CE3-NE2 3.99Å; W507-H824 HydrophobicContact CG-CB 3.96Å; W507-H824 AromaticContact CG-CD2 3.25Å; W507-H824 AromaticContact CG-CG 3.69Å; W507-H824 AromaticContact CG-NE2 3.92Å; W507-H824 AromaticContact NE1-CD2 3.84Å; W507-H824 AromaticContact NE1-CG 3.45Å; W507-H824 AromaticContact NE1-ND1 3.94Å; K822-H824 PolarHBondContact O-N 3.27Å; H824-K826 VanDerWaalsContact C-N 3.32Å; H824-K826 PolarHBondContact O-N 3.47Å; H824-H827 WeakPolarHBondContact O-CB 3.47Å; H824-H827 PolarHBondContact O-N 2.93Å; H824-H827 VanDerWaalsContact O-N 3.16Å; H824-M828 WeakPolarHBondContact O-CG 3.38Å; H824-M828 PolarHBondContact O-N 2.96Å
825	M	92.6	Very high	88.4	Confident	34 Å²	34	50 Å²	50	17%	0.167	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-36.1	178.5	-73.6	-62.6	95.1	0	0	112.2	W507 Q512 Y772 D823 M828 L829	W507-M825 WeakPolarHBondContact O-CE 3.33Å; W507-M825 VanDerWaalsContact O-SD 3.38Å; Q512-M825 HydrophobicContact CG-CE 4.4Å; Q512-M825 HydrophobicContact CG-SD 4.35Å; Y772-M825 HydrophobicContact CD1-CE 4.23Å; Y772-M825 HydrophobicContact CD1-SD 3.78Å; Y772-M825 HydrophobicContact CG-SD 4.49Å; D823-M825 PolarHBondContact O-N 3.25Å; D823-M825 PolarHBondContact OD1-N 3.46Å; D823-M825 VanDerWaalsContact OD1-N 3.14Å; M825-M828 HydrophobicContact CE-CB 4.38Å; M825-M828 HydrophobicContact CE-CG 3.93Å; M825-M828 PolarHBondContact O-N 2.96Å; M825-L829 WeakPolarHBondContact O-CB 3.32Å; M825-L829 PolarHBondContact O-N 3.3Å
826	K	91.3	Very high	88.7	Confident	78 Å²	78	49.3 Å²	49.3	34%	0.339	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-38.7	172	-170	176.5	175.5	-160.4	0	112.2	D821 D823 H824 L829 R830	D821-K826 WeakPolarHBondContact OD2-CD 3.29Å; D821-K826 WeakPolarHBondContact OD2-CE 3.46Å; D821-K826 IonicContact OD2-NZ 3.89Å; D821-K826 PolarHBondContact OD2-NZ 3.32Å; D823-K826 HydrophobicContact CB-CB 3.81Å; D823-K826 HydrophobicContact CB-CD 4.39Å; D823-K826 VanDerWaalsContact CG-CB 3.46Å; D823-K826 WeakPolarHBondContact O-CB 3.26Å; D823-K826 PolarHBondContact O-N 2.94Å; D823-K826 WeakPolarHBondContact OD1-CB 3.38Å; D823-K826 PolarHBondContact OD1-N 3.06Å; H824-K826 VanDerWaalsContact C-N 3.32Å; H824-K826 PolarHBondContact O-N 3.47Å; K826-L829 PolarHBondContact O-N 2.86Å; K826-R830 WeakPolarHBondContact O-CB 3.11Å; K826-R830 VanDerWaalsContact O-CG 3.25Å; K826-R830 WeakPolarHBondContact O-CG 3.19Å; K826-R830 PolarHBondContact O-N 3.41Å
827	H	90.5	Very high	89.3	Confident	26 Å²	26	44.8 Å²	44.8	12%	0.12	21%	0.208	C	C	.	.	H	α-helix	trans	-59.6	-45.7	172.8	-89.2	-92.8	0	0	0	112.4	A454 M818 D821 D823 H824 R830 L831	A454-H827 HydrophobicContact CB-CB 4.11Å; M818-H827 WeakPolarHBondContact CE-ND1 3.05Å; M818-H827 PolarHBondContact O-CE1 3.05Å; M818-H827 PolarHBondContact O-NE2 3.19Å; D821-H827 PolarHBondContact O-NE2 2.98Å; D823-H827 PolarHBondContact O-CD2 2.78Å; D823-H827 PolarHBondContact O-N 3.22Å; H824-H827 WeakPolarHBondContact O-CB 3.47Å; H824-H827 PolarHBondContact O-N 2.93Å; H824-H827 VanDerWaalsContact O-N 3.16Å; H827-R830 PolarHBondContact O-N 3.18Å; H827-L831 PolarHBondContact O-N 2.95Å
828	M	92.6	Very high	90	Very high	17 Å²	17	42.2 Å²	42.2	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-44.8	177.8	-63.7	-66	-87.1	0	0	111.2	A455 Y772 H824 M825 R830 L831 T832	A455-M828 HydrophobicContact CB-CE 4.29Å; A455-M828 HydrophobicContact CB-SD 4.04Å; Y772-M828 HydrophobicContact CD1-CB 3.88Å; Y772-M828 VanDerWaalsContact CD2-C 3.49Å; Y772-M828 HydrophobicContact CD2-CB 3.6Å; Y772-M828 HydrophobicContact CE1-CB 3.93Å; Y772-M828 HydrophobicContact CE1-CE 4.18Å; Y772-M828 HydrophobicContact CE1-CG 4.47Å; Y772-M828 HydrophobicContact CE2-CB 3.65Å; Y772-M828 HydrophobicContact CG-CB 3.72Å; Y772-M828 WeakPolarHBondContact OH-CE 3.45Å; H824-M828 WeakPolarHBondContact O-CG 3.38Å; H824-M828 PolarHBondContact O-N 2.96Å; M825-M828 HydrophobicContact CE-CB 4.38Å; M825-M828 HydrophobicContact CE-CG 3.93Å; M825-M828 PolarHBondContact O-N 2.96Å; M828-R830 PolarHBondContact O-N 3.01Å; M828-L831 PolarHBondContact O-N 3Å; M828-T832 PolarHBondContact O-N 2.89Å; M828-T832 PolarHBondContact O-OG1 3.2Å
829	L	93.5	Very high	90.5	Very high	13 Å²	13	43.9 Å²	43.9	7%	0.068	20%	0.2	C	C	.	.	H	α-helix	trans	-59.4	-47.3	174.9	178.1	65	0	0	0	112.4	D770 W775 M825 K826 L831 T832 L833	D770-L829 WeakPolarHBondContact O-CD2 3.4Å; W775-L829 HydrophobicContact CB-CD1 3.88Å; W775-L829 VanDerWaalsContact CD1-CD1 3.46Å; W775-L829 HydrophobicContact CG-CD1 3.82Å; M825-L829 WeakPolarHBondContact O-CB 3.32Å; M825-L829 PolarHBondContact O-N 3.3Å; K826-L829 PolarHBondContact O-N 2.86Å; L829-L831 PolarHBondContact O-N 2.83Å; L829-T832 PolarHBondContact O-N 3.12Å; L829-T832 VanDerWaalsContact O-N 3.14Å; L829-L833 HydrophobicContact CD1-CD1 3.88Å; L829-L833 HydrophobicContact CD1-CD2 4.43Å; L829-L833 HydrophobicContact CD1-CG 3.83Å; L829-L833 HydrophobicContact CD2-CD1 4.32Å; L829-L833 HydrophobicContact CG-CD1 3.81Å; L829-L833 HydrophobicContact CG-CG 4.15Å; L829-L833 WeakPolarHBondContact O-CB 3.21Å; L829-L833 WeakPolarHBondContact O-CG 3.05Å; L829-L833 PolarHBondContact O-N 3.07Å
830	R	91.5	Very high	91.2	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-55.5	-42.7	178.5	-77.5	177.9	169.3	131.2	-6.2	111.1	V813 D814 M818 D821 K826 H827 M828 T834	V813-R830 HydrophobicContact CB-CG 4.39Å; V813-R830 HydrophobicContact CG1-CB 4.08Å; V813-R830 HydrophobicContact CG1-CG 3.94Å; V813-R830 HydrophobicContact CG2-CG 4.24Å; D814-R830 PolarHBondContact O-NE 3.27Å; M818-R830 HydrophobicContact CE-CB 4.28Å; D821-R830 IonicContact OD2-CZ 3.86Å; D821-R830 IonicContact OD2-NH1 2.62Å; D821-R830 PolarHBondContact OD2-NH1 3.14Å; D821-R830 IonicContact OD2-NH2 2.84Å; D821-R830 PolarHBondContact OD2-NH2 3.17Å; K826-R830 WeakPolarHBondContact O-CB 3.11Å; K826-R830 VanDerWaalsContact O-CG 3.25Å; K826-R830 WeakPolarHBondContact O-CG 3.19Å; K826-R830 PolarHBondContact O-N 3.41Å; H827-R830 PolarHBondContact O-N 3.18Å; M828-R830 PolarHBondContact O-N 3.01Å; R830-T834 WeakPolarHBondContact O-CB 3.44Å; R830-T834 PolarHBondContact O-N 2.9Å; R830-T834 PolarHBondContact O-OG1 3.01Å
831	L	90.4	Very high	91.9	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.068	15%	0.152	C	C	.	.	H	α-helix	trans	-64.3	-47.8	176.7	175.8	52.7	0	0	0	111.8	H827 M828 L829 T834 R835 S868	H827-L831 PolarHBondContact O-N 2.95Å; M828-L831 PolarHBondContact O-N 3Å; L829-L831 PolarHBondContact O-N 2.83Å; L831-T834 PolarHBondContact O-N 3.09Å; L831-R835 HydrophobicContact CD1-CG 4Å; L831-R835 WeakPolarHBondContact O-CB 3.01Å; L831-R835 WeakPolarHBondContact O-CG 3.29Å; L831-R835 PolarHBondContact O-N 2.83Å; L831-S868 WeakPolarHBondContact CD1-O 3.49Å
832	T	94.4	Very high	92.5	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-47.6	178	-71	0	0	0	0	111.9	Y772 W775 E776 R779 M828 L829 R835 L836	Y772-T832 WeakPolarHBondContact CE2-OG1 3.4Å; W775-T832 HydrophobicContact CB-CG2 3.87Å; E776-T832 HydrophobicContact CB-CG2 4.35Å; E776-T832 WeakPolarHBondContact OE2-CG2 3.45Å; E776-T832 PolarHBondContact OE2-OG1 3.23Å; R779-T832 HydrophobicContact CB-CG2 4.14Å; M828-T832 PolarHBondContact O-N 2.89Å; M828-T832 PolarHBondContact O-OG1 3.2Å; L829-T832 PolarHBondContact O-N 3.12Å; L829-T832 VanDerWaalsContact O-N 3.14Å; T832-R835 PolarHBondContact O-N 3.49Å; T832-L836 PolarHBondContact O-N 3.49Å
833	L	95.4	Very high	93	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-65.2	-43.7	177.2	-70.4	178.8	0	0	0	112.1	W775 P809 V813 L829 R835 L836 A837	W775-L833 HydrophobicContact CD2-CD2 3.63Å; W775-L833 HydrophobicContact CE3-CD2 3.91Å; W775-L833 HydrophobicContact CG-CD2 4.03Å; W775-L833 HydrophobicContact CH2-CD2 4.35Å; W775-L833 HydrophobicContact CZ2-CD2 4.11Å; W775-L833 HydrophobicContact CZ3-CD2 4.26Å; P809-L833 HydrophobicContact CB-CD1 3.77Å; P809-L833 HydrophobicContact CB-CD2 3.79Å; P809-L833 HydrophobicContact CB-CG 4.45Å; V813-L833 HydrophobicContact CG2-CB 4.05Å; V813-L833 HydrophobicContact CG2-CD1 3.81Å; L829-L833 HydrophobicContact CD1-CD1 3.88Å; L829-L833 HydrophobicContact CD1-CD2 4.43Å; L829-L833 HydrophobicContact CD1-CG 3.83Å; L829-L833 HydrophobicContact CD2-CD1 4.32Å; L829-L833 HydrophobicContact CG-CD1 3.81Å; L829-L833 HydrophobicContact CG-CG 4.15Å; L829-L833 WeakPolarHBondContact O-CB 3.21Å; L829-L833 WeakPolarHBondContact O-CG 3.05Å; L829-L833 PolarHBondContact O-N 3.07Å; L833-R835 PolarHBondContact O-N 2.67Å; L833-L836 PolarHBondContact O-N 3.25Å; L833-A837 VanDerWaalsContact O-CB 3.25Å; L833-A837 WeakPolarHBondContact O-CB 3.47Å; L833-A837 PolarHBondContact O-N 3.2Å
834	T	94.5	Very high	93.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-43.2	178.1	-59.9	0	0	0	0	110.9	W815 R830 L831 A837 C838 C845 L869 A872	W815-T834 HydrophobicContact CH2-CG2 3.84Å; W815-T834 HydrophobicContact CZ2-CG2 3.53Å; R830-T834 WeakPolarHBondContact O-CB 3.44Å; R830-T834 PolarHBondContact O-N 2.9Å; R830-T834 PolarHBondContact O-OG1 3.01Å; L831-T834 PolarHBondContact O-N 3.09Å; T834-A837 PolarHBondContact O-N 2.82Å; T834-C838 VanDerWaalsContact O-CB 3.26Å; T834-C838 WeakPolarHBondContact O-CB 3.43Å; T834-C838 PolarHBondContact O-N 3.06Å; T834-C845 PolarHBondContact O-SG 3.17Å; T834-L869 HydrophobicContact CG2-CD2 4.24Å; T834-A872 HydrophobicContact CG2-CB 3.83Å
835	R	92.8	Very high	93.4	Very high	81 Å²	81	28.9 Å²	28.9	31%	0.306	14%	0.137	S	C	.	.	H	α-helix	trans	-58.6	-49.4	174.8	-80.2	173.3	174.7	153.8	-1.5	111.3	L831 T832 L833 Q839 A872	L831-R835 HydrophobicContact CD1-CG 4Å; L831-R835 WeakPolarHBondContact O-CB 3.01Å; L831-R835 WeakPolarHBondContact O-CG 3.29Å; L831-R835 PolarHBondContact O-N 2.83Å; T832-R835 PolarHBondContact O-N 3.49Å; L833-R835 PolarHBondContact O-N 2.67Å; R835-Q839 WeakPolarHBondContact O-CB 3.36Å; R835-Q839 PolarHBondContact O-N 3.34Å; R835-A872 HydrophobicContact CG-CB 3.98Å
836	L	94.6	Very high	93.6	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-48.6	177.6	-80.8	171.8	0	0	0	112.2	W775 R779 V806 T832 L833 C838 Q839 A840	W775-L836 HydrophobicContact CE3-CD1 3.84Å; W775-L836 HydrophobicContact CZ3-CD1 4.06Å; R779-L836 HydrophobicContact CB-CD1 3.92Å; R779-L836 HydrophobicContact CB-CD2 4.2Å; R779-L836 HydrophobicContact CB-CG 4.12Å; R779-L836 HydrophobicContact CG-CD1 4.03Å; R779-L836 HydrophobicContact CG-CD2 3.64Å; R779-L836 HydrophobicContact CG-CG 3.65Å; V806-L836 HydrophobicContact CG1-CB 3.95Å; V806-L836 HydrophobicContact CG1-CD1 4.42Å; T832-L836 PolarHBondContact O-N 3.49Å; L833-L836 PolarHBondContact O-N 3.25Å; L836-C838 PolarHBondContact O-N 3.05Å; L836-Q839 PolarHBondContact O-N 3.43Å; L836-A840 VanDerWaalsContact O-CB 3.23Å; L836-A840 WeakPolarHBondContact O-CB 3.19Å; L836-A840 PolarHBondContact O-N 3.22Å
837	A	95.9	Very high	93.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.5	-44.4	-177.7	0	0	0	0	0	112.2	V806 L810 L833 T834 A840 E841 H842 C845	V806-A837 HydrophobicContact CG2-CB 3.94Å; L810-A837 HydrophobicContact CD1-CB 3.86Å; L810-A837 HydrophobicContact CD2-CB 3.68Å; L810-A837 HydrophobicContact CG-CB 4.36Å; L833-A837 VanDerWaalsContact O-CB 3.25Å; L833-A837 WeakPolarHBondContact O-CB 3.47Å; L833-A837 PolarHBondContact O-N 3.2Å; T834-A837 PolarHBondContact O-N 2.82Å; A837-A840 CarbonylContact O-C 3.6Å; A837-A840 PolarHBondContact O-N 2.99Å; A837-E841 PolarHBondContact O-N 2.88Å; A837-H842 HydrophobicContact CB-CB 3.97Å; A837-H842 WeakPolarHBondContact O-CB 3.29Å; A837-H842 PolarHBondContact O-N 3.41Å; A837-C845 HydrophobicContact CB-CB 3.89Å
838	C	95.4	Very high	94.1	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	15%	0.149	C	C	.	.	H	α-helix	trans	-74	-30.5	177.6	-82.4	0	0	0	0	112.2	T834 L836 A840 E841 C845 T876 R879	T834-C838 VanDerWaalsContact O-CB 3.26Å; T834-C838 WeakPolarHBondContact O-CB 3.43Å; T834-C838 PolarHBondContact O-N 3.06Å; L836-C838 PolarHBondContact O-N 3.05Å; C838-A840 VanDerWaalsContact C-N 3.32Å; C838-E841 PolarHBondContact O-N 3.07Å; C838-C845 VanDerWaalsContact CA-SG 3.53Å; C838-C845 HydrophobicContact CB-CB 4.15Å; C838-C845 WeakPolarHBondContact CB-SG 3.42Å; C838-C845 PolarHBondContact N-SG 3.09Å; C838-C845 VanDerWaalsContact SG-C 3.53Å; C838-C845 WeakPolarHBondContact SG-CB 3.48Å; C838-C845 CovalentContact SG-SG 2.04Å; C838-C845 PolarHBondContact SG-SG 3.23Å; C838-T876 HydrophobicContact CB-CG2 4.23Å; C838-T876 VanDerWaalsContact CB-OG1 3.24Å; C838-T876 WeakPolarHBondContact CB-OG1 3.29Å; C838-R879 PolarHBondContact O-NH1 3.43Å; C838-R879 PolarHBondContact O-NH2 2.84Å
839	Q	91.1	Very high	94.3	Very high	40 Å²	40	30.3 Å²	30.3	19%	0.187	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-45.3	168.9	-176	174.4	-6.1	0	0	109.9	D786 Q799 R835 L836 E841 R879	D786-Q839 PolarHBondContact OD2-NE2 3.41Å; Q799-Q839 PolarHBondContact OE1-O 3.34Å; R835-Q839 WeakPolarHBondContact O-CB 3.36Å; R835-Q839 PolarHBondContact O-N 3.34Å; L836-Q839 PolarHBondContact O-N 3.43Å; Q839-E841 PolarHBondContact O-N 3Å; Q839-E841 VanDerWaalsContact O-N 3.14Å; Q839-R879 PolarHBondContact O-NH1 3.5Å
840	A	92.9	Very high	94.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	3.8	177.3	0	0	0	0	0	115.6	Q799 L802 R803 L836 A837 C838 H842	Q799-A840 VanDerWaalsContact OE1-CA 3.25Å; L802-A840 HydrophobicContact CB-CB 3.69Å; L802-A840 HydrophobicContact CD1-CB 4.38Å; R803-A840 VanDerWaalsContact CD-O 3.28Å; R803-A840 WeakPolarHBondContact CD-O 3.37Å; R803-A840 HydrophobicContact CG-CB 3.88Å; R803-A840 WeakPolarHBondContact CG-O 3.25Å; R803-A840 PolarHBondContact NH1-O 3.46Å; L836-A840 VanDerWaalsContact O-CB 3.23Å; L836-A840 WeakPolarHBondContact O-CB 3.19Å; L836-A840 PolarHBondContact O-N 3.22Å; A837-A840 CarbonylContact O-C 3.6Å; A837-A840 PolarHBondContact O-N 2.99Å; C838-A840 VanDerWaalsContact C-N 3.32Å; A840-H842 PolarHBondContact O-N 3.45Å
841	E	92.8	Very high	94.8	Very high	73 Å²	73	35.7 Å²	35.7	34%	0.341	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	37.1	-176.6	-62	178.6	-132.3	0	0	112.9	A837 C838 Q839 H843 V846 R914	A837-E841 PolarHBondContact O-N 2.88Å; C838-E841 PolarHBondContact O-N 3.07Å; Q839-E841 PolarHBondContact O-N 3Å; Q839-E841 VanDerWaalsContact O-N 3.14Å; E841-H843 PolarHBondContact O-N 3.47Å; E841-V846 HydrophobicContact CB-CG2 4.5Å; E841-R914 IonicContact OE1-CZ 3.2Å; E841-R914 IonicContact OE1-NH2 2.69Å; E841-R914 PolarHBondContact OE1-NH2 3.45Å; E841-R914 IonicContact OE2-CZ 2.81Å; E841-R914 IonicContact OE2-NH1 3.83Å; E841-R914 IonicContact OE2-NH2 3.79Å; E841-R914 PolarHBondContact OE2-NH2 3.39Å
842	H	95.5	Very high	95	Very high	22 Å²	22	36.8 Å²	36.8	10%	0.102	18%	0.177	C	C	.	.			trans	-61.9	122.7	173.9	-167.6	-81.5	0	0	0	109.9	R803 D807 L810 A837 A840 S844 C845 V846	R803-H842 HydrophobicContact CG-CB 4.35Å; D807-H842 IonicContact OD1-CE1 2.72Å; D807-H842 IonicContact OD1-NE2 3.84Å; D807-H842 PolarHBondContact OD1-NE2 3.32Å; L810-H842 WeakPolarHBondContact CD2-ND1 3.43Å; A837-H842 HydrophobicContact CB-CB 3.97Å; A837-H842 WeakPolarHBondContact O-CB 3.29Å; A837-H842 PolarHBondContact O-N 3.41Å; A840-H842 PolarHBondContact O-N 3.45Å; H842-S844 VanDerWaalsContact C-N 3.31Å; H842-S844 PolarHBondContact CE1-OG 3.05Å; H842-S844 PolarHBondContact ND1-N 3.49Å; H842-S844 PolarHBondContact ND1-OG 3.1Å; H842-S844 PolarHBondContact O-N 2.89Å; H842-S844 VanDerWaalsContact O-N 3.17Å; H842-C845 HydrophobicContact CB-CB 4.25Å; H842-C845 WeakPolarHBondContact O-CB 3.46Å; H842-C845 PolarHBondContact O-N 3.22Å; H842-V846 PolarHBondContact O-N 3.19Å
843	H	94.2	Very high	95.2	Very high	147 Å²	147	36.9 Å²	36.9	68%	0.681	18%	0.177	S	C	*	.	H	α-helix	trans	-52	-45	-171.3	174.3	-90.3	0	0	0	113.1	E841 C845 K847	E841-H843 PolarHBondContact O-N 3.47Å; H843-C845 PolarHBondContact O-N 3.21Å; H843-K847 WeakPolarHBondContact O-CB 3.24Å; H843-K847 PolarHBondContact O-N 3.29Å
844	S	93.4	Very high	95.3	Very high	49 Å²	49	45.2 Å²	45.2	34%	0.343	21%	0.208	S	C	.	.	H	α-helix	trans	-64.3	-39.1	178.6	65.5	0	0	0	0	112.9	L810 H842 M848	L810-S844 WeakPolarHBondContact CD2-OG 3.45Å; H842-S844 VanDerWaalsContact C-N 3.31Å; H842-S844 PolarHBondContact CE1-OG 3.05Å; H842-S844 PolarHBondContact ND1-N 3.49Å; H842-S844 PolarHBondContact ND1-OG 3.1Å; H842-S844 PolarHBondContact O-N 2.89Å; H842-S844 VanDerWaalsContact O-N 3.17Å; S844-M848 WeakPolarHBondContact O-CB 3.18Å; S844-M848 WeakPolarHBondContact O-CG 3.22Å; S844-M848 PolarHBondContact O-N 2.94Å
845	C	96.1	Very high	95.4	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-68.3	-47.7	179.8	-163.3	0	0	0	0	110.5	T834 A837 C838 H842 H843 K847 M848 A849	T834-C845 PolarHBondContact O-SG 3.17Å; A837-C845 HydrophobicContact CB-CB 3.89Å; C838-C845 VanDerWaalsContact CA-SG 3.53Å; C838-C845 HydrophobicContact CB-CB 4.15Å; C838-C845 WeakPolarHBondContact CB-SG 3.42Å; C838-C845 PolarHBondContact N-SG 3.09Å; C838-C845 VanDerWaalsContact SG-C 3.53Å; C838-C845 WeakPolarHBondContact SG-CB 3.48Å; C838-C845 CovalentContact SG-SG 2.04Å; C838-C845 PolarHBondContact SG-SG 3.23Å; H842-C845 HydrophobicContact CB-CB 4.25Å; H842-C845 WeakPolarHBondContact O-CB 3.46Å; H842-C845 PolarHBondContact O-N 3.22Å; H843-C845 PolarHBondContact O-N 3.21Å; C845-K847 PolarHBondContact O-N 3.16Å; C845-M848 PolarHBondContact O-N 2.71Å; C845-A849 VanDerWaalsContact O-CB 3.23Å; C845-A849 WeakPolarHBondContact O-CB 3.48Å; C845-A849 PolarHBondContact O-N 3.45Å
846	V	97.2	Very high	95.6	Very high	23 Å²	23	46 Å²	46	14%	0.139	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-46.9	178.5	173.5	0	0	0	0	110.9	E841 H842 A849 T850 T876 I880	E841-V846 HydrophobicContact CB-CG2 4.5Å; H842-V846 PolarHBondContact O-N 3.19Å; V846-A849 PolarHBondContact O-N 2.76Å; V846-T850 HydrophobicContact CG1-CG2 4.34Å; V846-T850 WeakPolarHBondContact O-CB 3.3Å; V846-T850 VanDerWaalsContact O-CG2 3.31Å; V846-T850 WeakPolarHBondContact O-CG2 3.48Å; V846-T850 PolarHBondContact O-N 3.25Å; V846-T850 PolarHBondContact O-OG1 2.95Å; V846-T876 HydrophobicContact CG2-CG2 4.2Å; V846-I880 HydrophobicContact CG1-CD1 4.39Å; V846-I880 HydrophobicContact CG1-CG1 4.01Å; V846-I880 HydrophobicContact CG1-CG2 4.36Å
847	K	96.8	Very high	95.8	Very high	102 Å²	102	48.2 Å²	48.2	44%	0.443	23%	0.229	S	C	.	.	H	α-helix	trans	-57.9	-53.1	176.9	-179	-178.7	173.7	-176.4	0	111.4	H843 C845 A849 T850 E851	H843-K847 WeakPolarHBondContact O-CB 3.24Å; H843-K847 PolarHBondContact O-N 3.29Å; C845-K847 PolarHBondContact O-N 3.16Å; K847-A849 PolarHBondContact O-N 2.92Å; K847-T850 PolarHBondContact O-N 3.01Å; K847-T850 PolarHBondContact O-OG1 2.87Å; K847-E851 WeakPolarHBondContact CE-OE1 3.44Å; K847-E851 HydrophobicContact CG-CG 4.48Å; K847-E851 WeakPolarHBondContact CG-OE1 3.33Å; K847-E851 IonicContact NZ-OE1 3.4Å; K847-E851 WeakPolarHBondContact O-CB 3.41Å; K847-E851 VanDerWaalsContact O-CG 3.32Å; K847-E851 WeakPolarHBondContact O-CG 3.34Å; K847-E851 PolarHBondContact O-N 2.96Å
848	M	95.4	Very high	95.8	Very high	60 Å²	60	54.5 Å²	54.5	30%	0.296	26%	0.261	S	S	.	.	H	α-helix	trans	-61.6	-46.8	-179.5	-71	-63.1	-58.4	0	0	111.8	W815 S844 C845 T850 E851 Y852	W815-M848 HydrophobicContact CB-CE 4.47Å; W815-M848 HydrophobicContact CD2-CB 4.42Å; W815-M848 HydrophobicContact CE3-CB 4.4Å; W815-M848 HydrophobicContact CG-CE 4.44Å; W815-M848 HydrophobicContact CH2-CB 4.08Å; W815-M848 HydrophobicContact CZ2-CB 4.11Å; W815-M848 HydrophobicContact CZ3-CB 4.22Å; S844-M848 WeakPolarHBondContact O-CB 3.18Å; S844-M848 WeakPolarHBondContact O-CG 3.22Å; S844-M848 PolarHBondContact O-N 2.94Å; C845-M848 PolarHBondContact O-N 2.71Å; M848-T850 PolarHBondContact O-N 2.62Å; M848-E851 PolarHBondContact O-N 3.02Å; M848-Y852 HydrophobicContact CE-CD2 4.11Å; M848-Y852 HydrophobicContact CE-CE2 3.51Å; M848-Y852 WeakPolarHBondContact O-CB 3.21Å; M848-Y852 VanDerWaalsContact O-CD2 3.3Å; M848-Y852 WeakPolarHBondContact O-CD2 3.43Å; M848-Y852 PolarHBondContact O-N 3.41Å
849	A	96.8	Very high	95.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.6	-46.9	179.4	0	0	0	0	0	111.9	W815 C845 V846 K847 Y853 V873 T876	W815-A849 HydrophobicContact CH2-CB 4.24Å; C845-A849 VanDerWaalsContact O-CB 3.23Å; C845-A849 WeakPolarHBondContact O-CB 3.48Å; C845-A849 PolarHBondContact O-N 3.45Å; V846-A849 PolarHBondContact O-N 2.76Å; K847-A849 PolarHBondContact O-N 2.92Å; A849-Y853 VanDerWaalsContact O-CB 3.28Å; A849-Y853 WeakPolarHBondContact O-CB 3.31Å; A849-Y853 PolarHBondContact O-N 3.09Å; A849-V873 HydrophobicContact CB-CB 4.48Å; A849-V873 HydrophobicContact CB-CG1 4.33Å; A849-V873 HydrophobicContact CB-CG2 4.25Å; A849-V873 WeakPolarHBondContact O-CG1 3.38Å; A849-T876 HydrophobicContact CB-CG2 3.9Å
850	T	97.5	Very high	95.8	Very high	46 Å²	46	59.1 Å²	59.1	28%	0.282	29%	0.29	S	S	.	.	H	α-helix	trans	-68.8	-36.6	179.9	53.5	0	0	0	0	112.4	V846 K847 M848 Y853 R854 I880	V846-T850 HydrophobicContact CG1-CG2 4.34Å; V846-T850 WeakPolarHBondContact O-CB 3.3Å; V846-T850 VanDerWaalsContact O-CG2 3.31Å; V846-T850 WeakPolarHBondContact O-CG2 3.48Å; V846-T850 PolarHBondContact O-N 3.25Å; V846-T850 PolarHBondContact O-OG1 2.95Å; K847-T850 PolarHBondContact O-N 3.01Å; K847-T850 PolarHBondContact O-OG1 2.87Å; M848-T850 PolarHBondContact O-N 2.62Å; T850-Y853 PolarHBondContact O-N 2.96Å; T850-R854 WeakPolarHBondContact O-CB 3.31Å; T850-R854 PolarHBondContact O-N 2.95Å; T850-I880 HydrophobicContact CG2-CB 4.34Å; T850-I880 HydrophobicContact CG2-CG2 4.22Å
851	E	96.8	Very high	95.5	Very high	84 Å²	84	68.4 Å²	68.4	39%	0.393	33%	0.334	S	S	.	.	H	α-helix	trans	-65	-48.2	174.4	-76.7	175.4	178.9	0	0	112.2	K847 M848 Y853 R854 N855	K847-E851 WeakPolarHBondContact CE-OE1 3.44Å; K847-E851 HydrophobicContact CG-CG 4.48Å; K847-E851 WeakPolarHBondContact CG-OE1 3.33Å; K847-E851 IonicContact NZ-OE1 3.4Å; K847-E851 WeakPolarHBondContact O-CB 3.41Å; K847-E851 VanDerWaalsContact O-CG 3.32Å; K847-E851 WeakPolarHBondContact O-CG 3.34Å; K847-E851 PolarHBondContact O-N 2.96Å; M848-E851 PolarHBondContact O-N 3.02Å; E851-Y853 VanDerWaalsContact C-N 3.31Å; E851-Y853 PolarHBondContact O-N 3.08Å; E851-R854 PolarHBondContact O-N 3.24Å; E851-N855 WeakPolarHBondContact O-CB 3.08Å; E851-N855 PolarHBondContact O-N 2.91Å; E851-N855 PolarHBondContact O-ND2 3.23Å
852	Y	96.2	Very high	95.2	Very high	37 Å²	37	70.8 Å²	70.8	15%	0.145	34%	0.343	C	S	.	.	H	α-helix	trans	-58.8	-44.6	175.7	-93.7	-70.3	0	0	0	111.9	W815 M848 N855 W856 I865	W815-Y852 HydrophobicContact CB-CE2 4.02Å; W815-Y852 HydrophobicContact CD2-CE2 4.13Å; W815-Y852 AromaticContact CE3-CD2 3.53Å; W815-Y852 HydrophobicContact CE3-CD2 3.53Å; W815-Y852 AromaticContact CE3-CE2 3.39Å; W815-Y852 HydrophobicContact CE3-CE2 3.39Å; W815-Y852 HydrophobicContact CG-CE2 4.42Å; W815-Y852 AromaticContact CZ3-CD2 3.8Å; W815-Y852 HydrophobicContact CZ3-CD2 3.8Å; W815-Y852 HydrophobicContact CZ3-CE2 4.14Å; M848-Y852 HydrophobicContact CE-CD2 4.11Å; M848-Y852 HydrophobicContact CE-CE2 3.51Å; M848-Y852 WeakPolarHBondContact O-CB 3.21Å; M848-Y852 VanDerWaalsContact O-CD2 3.3Å; M848-Y852 WeakPolarHBondContact O-CD2 3.43Å; M848-Y852 PolarHBondContact O-N 3.41Å; Y852-N855 PolarHBondContact O-N 3.49Å; Y852-W856 PolarHBondContact O-N 3.3Å; Y852-W856 VanDerWaalsContact O-N 3.08Å; Y852-I865 HydrophobicContact CD1-CG1 4.31Å; Y852-I865 HydrophobicContact CG-CG1 4.4Å
853	Y	98.2	Very high	95	Very high	3 Å²	3	71.3 Å²	71.3	1%	0.012	35%	0.347	C	S	.	.	H	α-helix	trans	-65.7	-44.9	179.2	-166.6	-91.8	0	0	0	112	A849 T850 E851 N855 W856 M857 I865 V873 Y874 A877 E885 F888 L889	A849-Y853 VanDerWaalsContact O-CB 3.28Å; A849-Y853 WeakPolarHBondContact O-CB 3.31Å; A849-Y853 PolarHBondContact O-N 3.09Å; T850-Y853 PolarHBondContact O-N 2.96Å; E851-Y853 VanDerWaalsContact C-N 3.31Å; E851-Y853 PolarHBondContact O-N 3.08Å; Y853-N855 VanDerWaalsContact C-N 3.32Å; Y853-N855 PolarHBondContact O-N 3.33Å; Y853-W856 HydrophobicContact CD2-CE3 4.3Å; Y853-W856 HydrophobicContact CE2-CE3 4.18Å; Y853-W856 HydrophobicContact CE2-CZ3 4.19Å; Y853-W856 WeakPolarHBondContact O-CB 3.19Å; Y853-W856 PolarHBondContact O-N 2.94Å; Y853-W856 VanDerWaalsContact O-N 3.12Å; Y853-M857 HydrophobicContact CD1-CG 3.98Å; Y853-M857 HydrophobicContact CD1-SD 3.67Å; Y853-M857 HydrophobicContact CE1-CG 3.81Å; Y853-M857 HydrophobicContact CE1-SD 3.5Å; Y853-M857 VanDerWaalsContact CE1-SD 3.5Å; Y853-M857 WeakPolarHBondContact O-CG 3.11Å; Y853-M857 PolarHBondContact O-N 2.96Å; Y853-I865 HydrophobicContact CD2-CD1 4.39Å; Y853-V873 HydrophobicContact CD2-CG1 4.45Å; Y853-Y874 HydrophobicContact CD2-CD1 4.09Å; Y853-Y874 HydrophobicContact CE2-CD1 4.03Å; Y853-A877 HydrophobicContact CD1-CB 3.55Å; Y853-A877 HydrophobicContact CD2-CB 3.52Å; Y853-A877 HydrophobicContact CE1-CB 4.05Å; Y853-A877 HydrophobicContact CE2-CB 4.03Å; Y853-A877 HydrophobicContact CG-CB 3.25Å; Y853-E885 HydrophobicContact CD1-CG 4.41Å; Y853-E885 HydrophobicContact CE1-CB 3.89Å; Y853-E885 HydrophobicContact CE1-CG 4.1Å; Y853-E885 PolarHBondContact OH-O 3.42Å; Y853-F888 HydrophobicContact CE1-CD1 4.24Å; Y853-F888 AromaticContact CZ-CD1 3.92Å; Y853-F888 WeakPolarHBondContact OH-CD1 3.16Å; Y853-L889 HydrophobicContact CE2-CD1 4.11Å; Y853-L889 VanDerWaalsContact OH-CB 3.3Å; Y853-L889 WeakPolarHBondContact OH-CB 3.41Å
854	R	97.7	Very high	94.8	Very high	176 Å²	176	69.1 Å²	69.1	66%	0.664	34%	0.339	S	S	*	.	H	α-helix	trans	-59.7	-42.7	175.3	-172.7	-172.2	-165	121.9	2.2	111.8	T850 E851 W856 M857 L858	T850-R854 WeakPolarHBondContact O-CB 3.31Å; T850-R854 PolarHBondContact O-N 2.95Å; E851-R854 PolarHBondContact O-N 3.24Å; R854-W856 VanDerWaalsContact C-N 3.27Å; R854-W856 PolarHBondContact O-N 3.02Å; R854-M857 WeakPolarHBondContact O-CB 3.5Å; R854-M857 PolarHBondContact O-N 3.48Å; R854-L858 HydrophobicContact CG-CD1 4.47Å; R854-L858 WeakPolarHBondContact O-CG 3.34Å; R854-L858 PolarHBondContact O-N 3.44Å
855	N	96.9	Very high	94.7	Very high	86 Å²	86	66.9 Å²	66.9	46%	0.46	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-37.6	176.4	-72.8	-21.7	0	0	0	111.6	E851 Y852 Y853 L858 N859	E851-N855 WeakPolarHBondContact O-CB 3.08Å; E851-N855 PolarHBondContact O-N 2.91Å; E851-N855 PolarHBondContact O-ND2 3.23Å; Y852-N855 PolarHBondContact O-N 3.49Å; Y853-N855 VanDerWaalsContact C-N 3.32Å; Y853-N855 PolarHBondContact O-N 3.33Å; N855-L858 PolarHBondContact O-N 3.49Å; N855-N859 PolarHBondContact O-N 2.9Å
856	W	97.1	Very high	94.3	Very high	11 Å²	11	67.3 Å²	67.3	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-69.1	-39	173.2	-177.2	30.3	0	0	0	112.5	Y852 Y853 R854 L858 N859 P860 N863 I865 Y874 F888 L889 R892	Y852-W856 PolarHBondContact O-N 3.3Å; Y852-W856 VanDerWaalsContact O-N 3.08Å; Y853-W856 HydrophobicContact CD2-CE3 4.3Å; Y853-W856 HydrophobicContact CE2-CE3 4.18Å; Y853-W856 HydrophobicContact CE2-CZ3 4.19Å; Y853-W856 WeakPolarHBondContact O-CB 3.19Å; Y853-W856 PolarHBondContact O-N 2.94Å; Y853-W856 VanDerWaalsContact O-N 3.12Å; R854-W856 VanDerWaalsContact C-N 3.27Å; R854-W856 PolarHBondContact O-N 3.02Å; W856-L858 VanDerWaalsContact C-N 3.26Å; W856-L858 PolarHBondContact O-N 3.43Å; W856-N859 CarbonylContact O-C 3.55Å; W856-N859 PolarHBondContact O-N 3.05Å; W856-N859 VanDerWaalsContact O-N 3.13Å; W856-N859 VanDerWaalsContact O-O 3.11Å; W856-P860 PolarHBondContact NE1-O 3.3Å; W856-P860 VanDerWaalsContact O-CA 3.29Å; W856-P860 WeakPolarHBondContact O-CA 3.36Å; W856-P860 VanDerWaalsContact O-N 3.09Å; W856-N863 HydrophobicContact CD2-CB 4.08Å; W856-N863 HydrophobicContact CG-CB 4.16Å; W856-N863 HydrophobicContact CZ2-CB 4.17Å; W856-I865 HydrophobicContact CE3-CD1 3.97Å; W856-Y874 AromaticContact CE3-CE1 3.96Å; W856-Y874 HydrophobicContact CE3-CE1 3.96Å; W856-Y874 HydrophobicContact CH2-CE1 4.18Å; W856-Y874 AromaticContact CH2-CZ 4Å; W856-Y874 HydrophobicContact CZ3-CD1 4.15Å; W856-Y874 AromaticContact CZ3-CE1 3.37Å; W856-Y874 HydrophobicContact CZ3-CE1 3.37Å; W856-Y874 AromaticContact CZ3-CZ 3.66Å; W856-F888 AromaticContact CD2-CE1 3.67Å; W856-F888 HydrophobicContact CD2-CE1 3.67Å; W856-F888 AromaticContact CD2-CZ 3.89Å; W856-F888 HydrophobicContact CD2-CZ 3.89Å; W856-F888 AromaticContact CE2-CE1 3.95Å; W856-F888 AromaticContact CE2-CZ 3.91Å; W856-F888 AromaticContact CE3-CE1 3.64Å; W856-F888 HydrophobicContact CE3-CE1 3.64Å; W856-F888 HydrophobicContact CE3-CZ 4.34Å; W856-F888 HydrophobicContact CG-CE1 4.23Å; W856-F888 HydrophobicContact CG-CZ 4.11Å; W856-F888 HydrophobicContact CH2-CE1 4.24Å; W856-F888 HydrophobicContact CZ2-CE1 4.25Å; W856-F888 HydrophobicContact CZ2-CZ 4.43Å; W856-F888 AromaticContact CZ3-CE1 3.92Å; W856-F888 HydrophobicContact CZ3-CE1 3.92Å; W856-L889 HydrophobicContact CH2-CD1 4.14Å; W856-L889 HydrophobicContact CZ3-CD1 3.84Å; W856-R892 HydrophobicContact CH2-CB 4.24Å; W856-R892 HydrophobicContact CH2-CG 3.66Å; W856-R892 HydrophobicContact CZ2-CB 4.46Å; W856-R892 HydrophobicContact CZ2-CG 3.61Å
857	M	97.7	Very high	93.7	Very high	52 Å²	52	67.1 Å²	67.1	26%	0.256	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-35.2	172.9	-67.7	177.1	74.8	0	0	112.8	Y853 R854 E885 F888	Y853-M857 HydrophobicContact CD1-CG 3.98Å; Y853-M857 HydrophobicContact CD1-SD 3.67Å; Y853-M857 HydrophobicContact CE1-CG 3.81Å; Y853-M857 HydrophobicContact CE1-SD 3.5Å; Y853-M857 VanDerWaalsContact CE1-SD 3.5Å; Y853-M857 WeakPolarHBondContact O-CG 3.11Å; Y853-M857 PolarHBondContact O-N 2.96Å; R854-M857 WeakPolarHBondContact O-CB 3.5Å; R854-M857 PolarHBondContact O-N 3.48Å; M857-E885 HydrophobicContact CE-CG 4.36Å; M857-E885 HydrophobicContact SD-CG 3.96Å; M857-F888 HydrophobicContact CB-CD2 4.43Å; M857-F888 HydrophobicContact CB-CE2 4.37Å; M857-F888 HydrophobicContact CB-CZ 4.49Å; M857-F888 HydrophobicContact CE-CB 4.07Å; M857-F888 HydrophobicContact CE-CG 4.43Å; M857-F888 HydrophobicContact CG-CB 4.36Å; M857-F888 HydrophobicContact CG-CD1 3.68Å; M857-F888 HydrophobicContact CG-CD2 4.07Å; M857-F888 HydrophobicContact CG-CE1 3.9Å; M857-F888 HydrophobicContact CG-CE2 4.26Å; M857-F888 HydrophobicContact CG-CG 3.77Å; M857-F888 HydrophobicContact CG-CZ 4.18Å
858	L	96.6	Very high	93.1	Very high	132 Å²	132	62.8 Å²	62.8	69%	0.691	31%	0.308	S	S	*	.	H	α-helix	trans	-74.2	-25.9	176.1	-68.9	172.7	0	0	0	112.9	R854 N855 W856	R854-L858 HydrophobicContact CG-CD1 4.47Å; R854-L858 WeakPolarHBondContact O-CG 3.34Å; R854-L858 PolarHBondContact O-N 3.44Å; N855-L858 PolarHBondContact O-N 3.49Å; W856-L858 VanDerWaalsContact C-N 3.26Å; W856-L858 PolarHBondContact O-N 3.43Å
859	N	94.7	Very high	92.8	Very high	76 Å²	76	60 Å²	60	41%	0.406	29%	0.294	S	S	.	.	S	Bend	trans	-134	76.9	176.1	-171.7	-3.9	0	0	0	111	N855 W856 E861 K862	N855-N859 PolarHBondContact O-N 2.9Å; W856-N859 CarbonylContact O-C 3.55Å; W856-N859 PolarHBondContact O-N 3.05Å; W856-N859 VanDerWaalsContact O-N 3.13Å; W856-N859 VanDerWaalsContact O-O 3.11Å; N859-E861 PolarHBondContact O-N 3.1Å; N859-E861 VanDerWaalsContact O-N 3.15Å; N859-K862 PolarHBondContact O-N 2.98Å
860	P	91.1	Very high	92.6	Very high	61 Å²	61	61 Å²	61	40%	0.396	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.4	-170.5	-25.6	35.4	0	0	0	114.2	W856 K862 F888	W856-P860 PolarHBondContact NE1-O 3.3Å; W856-P860 VanDerWaalsContact O-CA 3.29Å; W856-P860 WeakPolarHBondContact O-CA 3.36Å; W856-P860 VanDerWaalsContact O-N 3.09Å; P860-K862 PolarHBondContact O-N 2.9Å; P860-F888 HydrophobicContact CB-CE2 3.95Å; P860-F888 HydrophobicContact CB-CZ 4.31Å; P860-F888 HydrophobicContact CG-CE2 3.97Å
861	E	87.6	Confident	92.2	Very high	195 Å²	195	59.6 Å²	59.6	91%	0.911	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.5	-179.8	-61.9	-178.5	177.6	0	0	112.8	N859	N859-E861 PolarHBondContact O-N 3.1Å; N859-E861 VanDerWaalsContact O-N 3.15Å
862	K	86.5	Confident	92	Very high	124 Å²	124	55.9 Å²	55.9	54%	0.539	27%	0.273	S	S	.	.			trans	-127.9	90.8	-176.1	-163.4	178.6	-170.5	-179.2	0	112.1	N859 P860 L864	N859-K862 PolarHBondContact O-N 2.98Å; P860-K862 PolarHBondContact O-N 2.9Å; K862-L864 HydrophobicContact CD-CD2 3.92Å; K862-L864 HydrophobicContact CG-CD2 3.92Å; K862-L864 HydrophobicContact CG-CG 4.31Å; K862-L864 PolarHBondContact O-N 3.27Å; K862-L864 VanDerWaalsContact O-N 3.1Å
863	N	89.7	Confident	92	Very high	33 Å²	33	54.1 Å²	54.1	18%	0.176	27%	0.267	C	S	.	.			trans	-74.9	99.3	172.1	-170.3	-9.9	0	0	0	111.5	W856 I865 Y874	W856-N863 HydrophobicContact CD2-CB 4.08Å; W856-N863 HydrophobicContact CG-CB 4.16Å; W856-N863 HydrophobicContact CZ2-CB 4.17Å; N863-I865 VanDerWaalsContact C-N 3.28Å; N863-I865 PolarHBondContact O-N 3.09Å; N863-I865 VanDerWaalsContact OD1-CB 3.23Å; N863-I865 WeakPolarHBondContact OD1-CB 3.43Å; N863-I865 WeakPolarHBondContact OD1-CG1 3.22Å; N863-I865 PolarHBondContact OD1-N 3.09Å; N863-Y874 PolarHBondContact ND2-OH 2.84Å
864	L	90	Very high	91.9	Very high	100 Å²	100	54 Å²	54	52%	0.524	27%	0.266	S	S	.	.			trans	-81	-3	178.5	-65.7	178.9	0	0	0	113.9	K862 P866	K862-L864 HydrophobicContact CD-CD2 3.92Å; K862-L864 HydrophobicContact CG-CD2 3.92Å; K862-L864 HydrophobicContact CG-CG 4.31Å; K862-L864 PolarHBondContact O-N 3.27Å; K862-L864 VanDerWaalsContact O-N 3.1Å; L864-P866 WeakPolarHBondContact O-CD 3.39Å
865	I	91.7	Very high	91.8	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.239	C	C	.	.	S	Bend	trans	-67.8	125.9	177.9	-62.3	158.9	0	0	0	108.7	Y852 Y853 W856 N863 R870 V873 Y874	Y852-I865 HydrophobicContact CD1-CG1 4.31Å; Y852-I865 HydrophobicContact CG-CG1 4.4Å; Y853-I865 HydrophobicContact CD2-CD1 4.39Å; W856-I865 HydrophobicContact CE3-CD1 3.97Å; N863-I865 VanDerWaalsContact C-N 3.28Å; N863-I865 PolarHBondContact O-N 3.09Å; N863-I865 VanDerWaalsContact OD1-CB 3.23Å; N863-I865 WeakPolarHBondContact OD1-CB 3.43Å; N863-I865 WeakPolarHBondContact OD1-CG1 3.22Å; N863-I865 PolarHBondContact OD1-N 3.09Å; I865-R870 HydrophobicContact CB-CG 4.05Å; I865-R870 HydrophobicContact CG2-CB 4.32Å; I865-R870 HydrophobicContact CG2-CG 3.57Å; I865-R870 PolarHBondContact O-NE 2.69Å; I865-V873 HydrophobicContact CD1-CB 4.39Å; I865-V873 HydrophobicContact CD1-CG1 3.57Å; I865-V873 HydrophobicContact CG1-CG1 4Å; I865-V873 HydrophobicContact CG2-CB 3.96Å; I865-V873 HydrophobicContact CG2-CG1 4.19Å; I865-V873 HydrophobicContact CG2-CG2 3.86Å; I865-Y874 HydrophobicContact CD1-CD1 4.13Å; I865-Y874 HydrophobicContact CD1-CE1 3.6Å
866	P	88.3	Confident	91.8	Very high	11 Å²	11	42.2 Å²	42.2	7%	0.071	22%	0.217	C	C	.	.			trans	-53.3	127.6	174	-26.2	34.8	0	0	0	110.3	W815 M818 L864 S868 L869 R870	W815-P866 WeakPolarHBondContact O-CG 3.43Å; M818-P866 HydrophobicContact CB-CB 4.33Å; M818-P866 HydrophobicContact SD-CB 3.86Å; M818-P866 HydrophobicContact SD-CG 4.2Å; L864-P866 WeakPolarHBondContact O-CD 3.39Å; P866-S868 VanDerWaalsContact C-N 3.28Å; P866-S868 PolarHBondContact O-N 3.29Å; P866-S868 VanDerWaalsContact O-N 3.14Å; P866-L869 HydrophobicContact CB-CB 4.43Å; P866-L869 HydrophobicContact CB-CD1 4.42Å; P866-L869 HydrophobicContact CB-CG 4.3Å; P866-L869 HydrophobicContact CG-CD1 4.3Å; P866-L869 PolarHBondContact O-N 3.49Å; P866-R870 PolarHBondContact O-N 3.4Å
867	P	84.6	Confident	91.9	Very high	18 Å²	18	41.8 Å²	41.8	12%	0.117	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-48.8	-46.3	-173.8	-32.1	36.2	0	0	0	114.1	F451 T453 L869 R870	F451-P867 WeakPolarHBondContact O-CB 3.26Å; T453-P867 HydrophobicContact CG2-CB 4.06Å; P867-L869 PolarHBondContact O-N 3.14Å; P867-R870 WeakPolarHBondContact O-CB 2.97Å; P867-R870 PolarHBondContact O-N 3.1Å
868	S	83.4	Confident	91.8	Very high	12 Å²	12	39.4 Å²	39.4	8%	0.084	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-61.4	-28.1	179.3	-55.3	0	0	0	0	113.7	L831 P866	L831-S868 WeakPolarHBondContact CD1-O 3.49Å; P866-S868 VanDerWaalsContact C-N 3.28Å; P866-S868 PolarHBondContact O-N 3.29Å; P866-S868 VanDerWaalsContact O-N 3.14Å
869	L	90.4	Very high	91.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-91.2	-11.4	-179.5	-60.7	-172.7	0	0	0	113.7	W815 M818 T834 P866 P867 P871 A872 V873	W815-L869 HydrophobicContact CB-CD1 4.39Å; W815-L869 HydrophobicContact CD2-CD1 3.46Å; W815-L869 VanDerWaalsContact CD2-CD1 3.46Å; W815-L869 HydrophobicContact CE3-CD1 3.47Å; W815-L869 VanDerWaalsContact CE3-CD1 3.47Å; W815-L869 HydrophobicContact CG-CD1 3.89Å; W815-L869 HydrophobicContact CH2-CD1 4.43Å; W815-L869 HydrophobicContact CZ2-CD1 4.41Å; W815-L869 HydrophobicContact CZ3-CD1 4Å; M818-L869 HydrophobicContact CE-CD2 4.25Å; M818-L869 HydrophobicContact CE-CG 4.12Å; M818-L869 HydrophobicContact SD-CD1 3.48Å; M818-L869 WeakPolarHBondContact SD-CD1 3.39Å; M818-L869 HydrophobicContact SD-CD2 4.18Å; M818-L869 HydrophobicContact SD-CG 3.61Å; T834-L869 HydrophobicContact CG2-CD2 4.24Å; P866-L869 HydrophobicContact CB-CB 4.43Å; P866-L869 HydrophobicContact CB-CD1 4.42Å; P866-L869 HydrophobicContact CB-CG 4.3Å; P866-L869 HydrophobicContact CG-CD1 4.3Å; P866-L869 PolarHBondContact O-N 3.49Å; P867-L869 PolarHBondContact O-N 3.14Å; L869-P871 VanDerWaalsContact C-CD 3.49Å; L869-A872 PolarHBondContact O-N 2.88Å; L869-V873 HydrophobicContact CB-CG2 4.27Å; L869-V873 WeakPolarHBondContact O-CG2 3.33Å; L869-V873 PolarHBondContact O-N 2.91Å
870	R	91.4	Very high	91.7	Very high	21 Å²	21	34.4 Å²	34.4	8%	0.079	18%	0.175	C	C	.	.	H	α-helix	trans	-50.1	-46.7	-178.2	-72.2	175.1	-177.6	-178.7	1.3	113.8	I865 P866 P867 A872 V873 Y874 E902	I865-R870 HydrophobicContact CB-CG 4.05Å; I865-R870 HydrophobicContact CG2-CB 4.32Å; I865-R870 HydrophobicContact CG2-CG 3.57Å; I865-R870 PolarHBondContact O-NE 2.69Å; P866-R870 PolarHBondContact O-N 3.4Å; P867-R870 WeakPolarHBondContact O-CB 2.97Å; P867-R870 PolarHBondContact O-N 3.1Å; R870-A872 VanDerWaalsContact C-N 3.27Å; R870-A872 PolarHBondContact O-N 3.1Å; R870-V873 PolarHBondContact O-N 2.72Å; R870-Y874 HydrophobicContact CB-CD2 4.24Å; R870-Y874 HydrophobicContact CB-CE1 4.08Å; R870-Y874 HydrophobicContact CB-CE2 3.75Å; R870-Y874 VanDerWaalsContact CD-OH 3.26Å; R870-Y874 WeakPolarHBondContact CD-OH 3.37Å; R870-Y874 HydrophobicContact CG-CE1 4.09Å; R870-Y874 HydrophobicContact CG-CE2 4.28Å; R870-Y874 WeakPolarHBondContact CG-OH 3.29Å; R870-Y874 VanDerWaalsContact O-CB 3.31Å; R870-Y874 WeakPolarHBondContact O-CB 3.42Å; R870-Y874 WeakPolarHBondContact O-CD1 3.16Å; R870-Y874 PolarHBondContact O-N 2.68Å; R870-E902 VanDerWaalsContact CD-OE2 3.26Å; R870-E902 WeakPolarHBondContact CD-OE2 3.33Å; R870-E902 IonicContact CZ-OE2 3.37Å; R870-E902 IonicContact NE-OE2 2.78Å; R870-E902 IonicContact NH1-OE1 3.55Å; R870-E902 IonicContact NH1-OE2 3.06Å; R870-E902 PolarHBondContact NH1-OE2 3.23Å
871	P	89.4	Confident	91.9	Very high	18 Å²	18	32.9 Å²	32.9	12%	0.117	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-40.7	178.4	-24.9	34.2	0	0	0	113	L869 C875	L869-P871 VanDerWaalsContact C-CD 3.49Å; P871-C875 WeakPolarHBondContact O-CB 3.15Å; P871-C875 PolarHBondContact O-N 2.71Å
872	A	92.7	Very high	92.1	Very high	5 Å²	5	24.6 Å²	24.6	4%	0.041	14%	0.137	C	C	.	.	H	α-helix	trans	-72.8	-43.3	178.9	0	0	0	0	0	111.5	T834 R835 L869 R870 T876	T834-A872 HydrophobicContact CG2-CB 3.83Å; R835-A872 HydrophobicContact CG-CB 3.98Å; L869-A872 PolarHBondContact O-N 2.88Å; R870-A872 VanDerWaalsContact C-N 3.27Å; R870-A872 PolarHBondContact O-N 3.1Å; A872-T876 VanDerWaalsContact O-CB 3.25Å; A872-T876 WeakPolarHBondContact O-CB 3.38Å; A872-T876 PolarHBondContact O-N 3.06Å; A872-T876 PolarHBondContact O-OG1 2.96Å
873	V	96.1	Very high	92.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.3	-49.5	-179.5	174.1	0	0	0	0	111.4	W815 A849 Y853 I865 L869 R870 T876 A877	W815-V873 HydrophobicContact CH2-CG2 3.88Å; W815-V873 HydrophobicContact CZ3-CG2 3.45Å; W815-V873 VanDerWaalsContact CZ3-CG2 3.45Å; A849-V873 HydrophobicContact CB-CB 4.48Å; A849-V873 HydrophobicContact CB-CG1 4.33Å; A849-V873 HydrophobicContact CB-CG2 4.25Å; A849-V873 WeakPolarHBondContact O-CG1 3.38Å; Y853-V873 HydrophobicContact CD2-CG1 4.45Å; I865-V873 HydrophobicContact CD1-CB 4.39Å; I865-V873 HydrophobicContact CD1-CG1 3.57Å; I865-V873 HydrophobicContact CG1-CG1 4Å; I865-V873 HydrophobicContact CG2-CB 3.96Å; I865-V873 HydrophobicContact CG2-CG1 4.19Å; I865-V873 HydrophobicContact CG2-CG2 3.86Å; L869-V873 HydrophobicContact CB-CG2 4.27Å; L869-V873 WeakPolarHBondContact O-CG2 3.33Å; L869-V873 PolarHBondContact O-N 2.91Å; R870-V873 PolarHBondContact O-N 2.72Å; V873-T876 PolarHBondContact O-N 2.64Å; V873-A877 WeakPolarHBondContact O-CB 3.1Å; V873-A877 PolarHBondContact O-N 3.36Å
874	Y	96.7	Very high	92.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.9	-52.3	179.7	-61.7	-11.7	0	0	0	110.6	Y853 W856 N863 I865 R870 T876 A877 I878 L889 E902 I906 A909	Y853-Y874 HydrophobicContact CD2-CD1 4.09Å; Y853-Y874 HydrophobicContact CE2-CD1 4.03Å; W856-Y874 AromaticContact CE3-CE1 3.96Å; W856-Y874 HydrophobicContact CE3-CE1 3.96Å; W856-Y874 HydrophobicContact CH2-CE1 4.18Å; W856-Y874 AromaticContact CH2-CZ 4Å; W856-Y874 HydrophobicContact CZ3-CD1 4.15Å; W856-Y874 AromaticContact CZ3-CE1 3.37Å; W856-Y874 HydrophobicContact CZ3-CE1 3.37Å; W856-Y874 AromaticContact CZ3-CZ 3.66Å; N863-Y874 PolarHBondContact ND2-OH 2.84Å; I865-Y874 HydrophobicContact CD1-CD1 4.13Å; I865-Y874 HydrophobicContact CD1-CE1 3.6Å; R870-Y874 HydrophobicContact CB-CD2 4.24Å; R870-Y874 HydrophobicContact CB-CE1 4.08Å; R870-Y874 HydrophobicContact CB-CE2 3.75Å; R870-Y874 VanDerWaalsContact CD-OH 3.26Å; R870-Y874 WeakPolarHBondContact CD-OH 3.37Å; R870-Y874 HydrophobicContact CG-CE1 4.09Å; R870-Y874 HydrophobicContact CG-CE2 4.28Å; R870-Y874 WeakPolarHBondContact CG-OH 3.29Å; R870-Y874 VanDerWaalsContact O-CB 3.31Å; R870-Y874 WeakPolarHBondContact O-CB 3.42Å; R870-Y874 WeakPolarHBondContact O-CD1 3.16Å; R870-Y874 PolarHBondContact O-N 2.68Å; Y874-T876 VanDerWaalsContact C-N 3.25Å; Y874-T876 PolarHBondContact O-N 3.43Å; Y874-A877 PolarHBondContact O-N 3.3Å; Y874-I878 VanDerWaalsContact O-CG1 3.32Å; Y874-I878 WeakPolarHBondContact O-CG1 3.36Å; Y874-I878 PolarHBondContact O-N 3.35Å; Y874-L889 HydrophobicContact CD1-CD1 4.35Å; Y874-L889 HydrophobicContact CD2-CD1 4.22Å; Y874-L889 HydrophobicContact CE2-CD1 4.44Å; Y874-L889 HydrophobicContact CG-CD1 4.17Å; Y874-L889 HydrophobicContact CG-CD2 4.37Å; Y874-E902 VanDerWaalsContact CE2-OE1 3.31Å; Y874-E902 WeakPolarHBondContact CE2-OE1 3.34Å; Y874-E902 VanDerWaalsContact CZ-OE1 3.3Å; Y874-E902 PolarHBondContact OH-OE1 3.15Å; Y874-I906 HydrophobicContact CD2-CG1 4.05Å; Y874-I906 HydrophobicContact CE2-CG1 3.9Å; Y874-A909 HydrophobicContact CG-CB 4.44Å
875	C	95.4	Very high	93.2	Very high	14 Å²	14	26.9 Å²	26.9	10%	0.095	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-36.8	-179.8	-178.3	0	0	0	0	112.3	P871 R879 A909 C912 Y947	P871-C875 WeakPolarHBondContact O-CB 3.15Å; P871-C875 PolarHBondContact O-N 2.71Å; C875-R879 WeakPolarHBondContact O-CB 3.01Å; C875-R879 PolarHBondContact O-N 2.94Å; C875-A909 HydrophobicContact CB-CB 4.35Å; C875-C912 WeakPolarHBondContact CA-SG 3.47Å; C875-C912 HydrophobicContact CB-CB 4.03Å; C875-C912 WeakPolarHBondContact CB-SG 3.35Å; C875-C912 VanDerWaalsContact O-CB 3.3Å; C875-C912 WeakPolarHBondContact O-CB 3.13Å; C875-C912 WeakPolarHBondContact SG-CB 3.42Å; C875-C912 CovalentContact SG-SG 2.04Å; C875-C912 PolarHBondContact SG-SG 3.46Å; C875-Y947 PolarHBondContact SG-OH 3.17Å
876	T	97.1	Very high	93.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-71.9	-43.8	178.3	-55.5	0	0	0	0	112	C838 V846 A849 A872 V873 Y874 I878 R879 I880	C838-T876 HydrophobicContact CB-CG2 4.23Å; C838-T876 VanDerWaalsContact CB-OG1 3.24Å; C838-T876 WeakPolarHBondContact CB-OG1 3.29Å; V846-T876 HydrophobicContact CG2-CG2 4.2Å; A849-T876 HydrophobicContact CB-CG2 3.9Å; A872-T876 VanDerWaalsContact O-CB 3.25Å; A872-T876 WeakPolarHBondContact O-CB 3.38Å; A872-T876 PolarHBondContact O-N 3.06Å; A872-T876 PolarHBondContact O-OG1 2.96Å; V873-T876 PolarHBondContact O-N 2.64Å; Y874-T876 VanDerWaalsContact C-N 3.25Å; Y874-T876 PolarHBondContact O-N 3.43Å; T876-I878 VanDerWaalsContact C-N 3.34Å; T876-I878 PolarHBondContact O-N 3.37Å; T876-R879 PolarHBondContact O-N 3.16Å; T876-R879 PolarHBondContact OG1-NH2 3.1Å; T876-I880 HydrophobicContact CG2-CG1 4.25Å; T876-I880 WeakPolarHBondContact O-CB 3.36Å; T876-I880 VanDerWaalsContact O-CG1 3.3Å; T876-I880 WeakPolarHBondContact O-CG1 3.48Å; T876-I880 PolarHBondContact O-N 2.66Å
877	A	98	Very high	93.8	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.017	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-40.9	177.1	0	0	0	0	0	112	Y853 V873 Y874 G881	Y853-A877 HydrophobicContact CD1-CB 3.55Å; Y853-A877 HydrophobicContact CD2-CB 3.52Å; Y853-A877 HydrophobicContact CE1-CB 4.05Å; Y853-A877 HydrophobicContact CE2-CB 4.03Å; Y853-A877 HydrophobicContact CG-CB 3.25Å; V873-A877 WeakPolarHBondContact O-CB 3.1Å; V873-A877 PolarHBondContact O-N 3.36Å; Y874-A877 PolarHBondContact O-N 3.3Å; A877-G881 VanDerWaalsContact O-CA 3.3Å; A877-G881 WeakPolarHBondContact O-CA 3.28Å; A877-G881 PolarHBondContact O-N 3.21Å
878	I	97.1	Very high	94.4	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-68.6	-36	175.7	-63.9	-45.2	0	0	0	112.2	Y874 T876 E885 W886 L889 A909 C912	Y874-I878 VanDerWaalsContact O-CG1 3.32Å; Y874-I878 WeakPolarHBondContact O-CG1 3.36Å; Y874-I878 PolarHBondContact O-N 3.35Å; T876-I878 VanDerWaalsContact C-N 3.34Å; T876-I878 PolarHBondContact O-N 3.37Å; I878-E885 HydrophobicContact CD1-CB 4.18Å; I878-E885 WeakPolarHBondContact CD1-O 3.47Å; I878-W886 HydrophobicContact CD1-CB 4.24Å; I878-L889 HydrophobicContact CD1-CB 4.14Å; I878-L889 HydrophobicContact CD1-CD2 4.07Å; I878-L889 HydrophobicContact CG1-CD2 3.75Å; I878-A909 WeakPolarHBondContact CB-O 3.35Å; I878-A909 WeakPolarHBondContact CG2-O 3.37Å; I878-C912 HydrophobicContact CG2-CB 4.49Å
879	R	94.7	Very high	95	Very high	37 Å²	37	30 Å²	30	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-71.7	-34.1	179.8	179	160.9	38.8	122.2	6.6	113.7	C838 Q839 C875 T876 C912 R914	C838-R879 PolarHBondContact O-NH1 3.43Å; C838-R879 PolarHBondContact O-NH2 2.84Å; Q839-R879 PolarHBondContact O-NH1 3.5Å; C875-R879 WeakPolarHBondContact O-CB 3.01Å; C875-R879 PolarHBondContact O-N 2.94Å; T876-R879 PolarHBondContact O-N 3.16Å; T876-R879 PolarHBondContact OG1-NH2 3.1Å; R879-C912 WeakPolarHBondContact CA-O 3.48Å; R879-C912 HydrophobicContact CB-CB 4.24Å; R879-C912 VanDerWaalsContact CB-O 3.29Å; R879-C912 WeakPolarHBondContact CB-O 3.37Å; R879-R914 HydrophobicContact CG-CG 4.15Å; R879-R914 WeakPolarHBondContact O-CD 3.47Å; R879-R914 WeakPolarHBondContact O-CG 3.17Å
880	I	94.5	Very high	95.2	Very high	67 Å²	67	32.1 Å²	32.1	34%	0.344	16%	0.163	S	C	.	.	H	α-helix	trans	-96.1	-31.8	-177.5	-59.3	-63.2	0	0	0	112.1	V846 T850 T876	V846-I880 HydrophobicContact CG1-CD1 4.39Å; V846-I880 HydrophobicContact CG1-CG1 4.01Å; V846-I880 HydrophobicContact CG1-CG2 4.36Å; T850-I880 HydrophobicContact CG2-CB 4.34Å; T850-I880 HydrophobicContact CG2-CG2 4.22Å; T876-I880 HydrophobicContact CG2-CG1 4.25Å; T876-I880 WeakPolarHBondContact O-CB 3.36Å; T876-I880 VanDerWaalsContact O-CG1 3.3Å; T876-I880 WeakPolarHBondContact O-CG1 3.48Å; T876-I880 PolarHBondContact O-N 2.66Å
881	G	93.9	Very high	95.3	Very high	28 Å²	28	36.1 Å²	36.1	29%	0.289	18%	0.182	S	C	.	.	S	Bend	trans	-77.2	-167.2	176.3	0	0	0	0	0	112.8	A877	A877-G881 VanDerWaalsContact O-CA 3.3Å; A877-G881 WeakPolarHBondContact O-CA 3.28Å; A877-G881 PolarHBondContact O-N 3.21Å
882	G	92.5	Very high	95.5	Very high	21 Å²	21	37.4 Å²	37.4	22%	0.216	19%	0.185	C	C	.	.			trans	-129.7	-151	177.3	0	0	0	0	0	112.2	K884 E885 W886	G882-K884 VanDerWaalsContact C-N 3.26Å; G882-K884 PolarHBondContact O-N 2.89Å; G882-E885 PolarHBondContact N-OE2 3.08Å; G882-E885 PolarHBondContact O-N 2.76Å; G882-W886 PolarHBondContact O-N 3Å; G882-W886 VanDerWaalsContact O-N 3.12Å
883	Q	94.2	Very high	95.3	Very high	89 Å²	89	37.9 Å²	37.9	42%	0.416	19%	0.187	S	C	.	.	H	α-helix	trans	-55	-37.9	-176.3	-179.1	177	-1.9	0	0	113.5	W886 E887 W917	Q883-W886 PolarHBondContact O-N 3.38Å; Q883-E887 HydrophobicContact CG-CG 4.09Å; Q883-E887 WeakPolarHBondContact CG-OE1 3.22Å; Q883-E887 PolarHBondContact NE2-OE1 3.47Å; Q883-E887 WeakPolarHBondContact O-CB 3.34Å; Q883-E887 VanDerWaalsContact O-CG 3.29Å; Q883-E887 WeakPolarHBondContact O-CG 3.06Å; Q883-E887 PolarHBondContact O-N 2.89Å; Q883-W917 HydrophobicContact CB-CH2 4.32Å; Q883-W917 HydrophobicContact CB-CZ2 4.27Å; Q883-W917 HydrophobicContact CG-CH2 3.98Å; Q883-W917 HydrophobicContact CG-CZ2 4.43Å
884	K	96.8	Very high	94.9	Very high	160 Å²	160	43 Å²	43	70%	0.696	21%	0.213	S	C	*	.	H	α-helix	trans	-65.2	-45.5	-177.1	-70.1	-177.6	179.6	177.8	0	112.3	G882 W886 F888	G882-K884 VanDerWaalsContact C-N 3.26Å; G882-K884 PolarHBondContact O-N 2.89Å; K884-W886 VanDerWaalsContact C-N 3.34Å; K884-F888 WeakPolarHBondContact O-CB 3.33Å; K884-F888 PolarHBondContact O-N 3.11Å; K884-F888 VanDerWaalsContact O-N 3.09Å
885	E	97.8	Very high	94.1	Very high	57 Å²	57	46.6 Å²	46.6	27%	0.266	23%	0.233	S	C	.	.	H	α-helix	trans	-63.4	-44.3	176.2	-66.9	72	-162.2	0	0	110	Y853 M857 I878 G882 F888 L889	Y853-E885 HydrophobicContact CD1-CG 4.41Å; Y853-E885 HydrophobicContact CE1-CB 3.89Å; Y853-E885 HydrophobicContact CE1-CG 4.1Å; Y853-E885 PolarHBondContact OH-O 3.42Å; M857-E885 HydrophobicContact CE-CG 4.36Å; M857-E885 HydrophobicContact SD-CG 3.96Å; I878-E885 HydrophobicContact CD1-CB 4.18Å; I878-E885 WeakPolarHBondContact CD1-O 3.47Å; G882-E885 PolarHBondContact N-OE2 3.08Å; G882-E885 PolarHBondContact O-N 2.76Å; E885-F888 PolarHBondContact O-N 2.97Å; E885-L889 PolarHBondContact O-N 2.76Å; E885-L889 VanDerWaalsContact O-N 3.11Å
886	W	96.7	Very high	92.8	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.027	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-46.2	178.6	-170.7	93.9	0	0	0	113.3	I878 G882 Q883 K884 F888 L889 K890 L910 V918 L921 H922	I878-W886 HydrophobicContact CD1-CB 4.24Å; G882-W886 PolarHBondContact O-N 3Å; G882-W886 VanDerWaalsContact O-N 3.12Å; Q883-W886 PolarHBondContact O-N 3.38Å; K884-W886 VanDerWaalsContact C-N 3.34Å; W886-F888 VanDerWaalsContact C-N 3.33Å; W886-F888 PolarHBondContact O-N 2.82Å; W886-L889 PolarHBondContact O-N 3.02Å; W886-K890 HydrophobicContact CE3-CB 4.44Å; W886-K890 HydrophobicContact CE3-CD 4.31Å; W886-K890 HydrophobicContact CH2-CD 3.41Å; W886-K890 VanDerWaalsContact CH2-CD 3.41Å; W886-K890 HydrophobicContact CZ2-CD 4.3Å; W886-K890 HydrophobicContact CZ3-CB 4.29Å; W886-K890 HydrophobicContact CZ3-CD 3.4Å; W886-K890 VanDerWaalsContact CZ3-CD 3.4Å; W886-K890 HydrophobicContact CZ3-CG 4.48Å; W886-K890 WeakPolarHBondContact O-CB 3.33Å; W886-K890 PolarHBondContact O-N 2.82Å; W886-L910 HydrophobicContact CD2-CD2 4.06Å; W886-L910 HydrophobicContact CG-CD2 4.08Å; W886-L910 HydrophobicContact CZ2-CD2 4.26Å; W886-L910 PolarHBondContact NE1-O 3.43Å; W886-L910 VanDerWaalsContact NE1-O 3.08Å; W886-V918 HydrophobicContact CB-CG1 4.22Å; W886-V918 HydrophobicContact CD2-CG1 3.51Å; W886-V918 HydrophobicContact CE3-CG1 4.25Å; W886-V918 HydrophobicContact CG-CG1 3.45Å; W886-V918 VanDerWaalsContact CG-CG1 3.45Å; W886-V918 HydrophobicContact CZ2-CG1 4.25Å; W886-L921 HydrophobicContact CH2-CD2 4.13Å; W886-L921 HydrophobicContact CZ3-CD2 4.11Å; W886-H922 HydrophobicContact CZ2-CB 3.73Å; W886-H922 AromaticContact CZ2-CG 4Å
887	E	96.3	Very high	91.5	Very high	82 Å²	82	58.6 Å²	58.6	38%	0.383	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-39.6	177.5	-76.1	175.2	170.3	0	0	112	Q883 K890 Q891	Q883-E887 HydrophobicContact CG-CG 4.09Å; Q883-E887 WeakPolarHBondContact CG-OE1 3.22Å; Q883-E887 PolarHBondContact NE2-OE1 3.47Å; Q883-E887 WeakPolarHBondContact O-CB 3.34Å; Q883-E887 VanDerWaalsContact O-CG 3.29Å; Q883-E887 WeakPolarHBondContact O-CG 3.06Å; Q883-E887 PolarHBondContact O-N 2.89Å; E887-K890 PolarHBondContact O-N 3.08Å; E887-Q891 WeakPolarHBondContact O-CG 3.38Å; E887-Q891 PolarHBondContact O-N 3.15Å
888	F	97.5	Very high	90.5	Very high	18 Å²	18	60.6 Å²	60.6	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-47.5	175.2	175.2	-93.3	0	0	0	111.7	Y853 W856 M857 P860 K884 E885 W886 K890 Q891 R892	Y853-F888 HydrophobicContact CE1-CD1 4.24Å; Y853-F888 AromaticContact CZ-CD1 3.92Å; Y853-F888 WeakPolarHBondContact OH-CD1 3.16Å; W856-F888 AromaticContact CD2-CE1 3.67Å; W856-F888 HydrophobicContact CD2-CE1 3.67Å; W856-F888 AromaticContact CD2-CZ 3.89Å; W856-F888 HydrophobicContact CD2-CZ 3.89Å; W856-F888 AromaticContact CE2-CE1 3.95Å; W856-F888 AromaticContact CE2-CZ 3.91Å; W856-F888 AromaticContact CE3-CE1 3.64Å; W856-F888 HydrophobicContact CE3-CE1 3.64Å; W856-F888 HydrophobicContact CE3-CZ 4.34Å; W856-F888 HydrophobicContact CG-CE1 4.23Å; W856-F888 HydrophobicContact CG-CZ 4.11Å; W856-F888 HydrophobicContact CH2-CE1 4.24Å; W856-F888 HydrophobicContact CZ2-CE1 4.25Å; W856-F888 HydrophobicContact CZ2-CZ 4.43Å; W856-F888 AromaticContact CZ3-CE1 3.92Å; W856-F888 HydrophobicContact CZ3-CE1 3.92Å; M857-F888 HydrophobicContact CB-CD2 4.43Å; M857-F888 HydrophobicContact CB-CE2 4.37Å; M857-F888 HydrophobicContact CB-CZ 4.49Å; M857-F888 HydrophobicContact CE-CB 4.07Å; M857-F888 HydrophobicContact CE-CG 4.43Å; M857-F888 HydrophobicContact CG-CB 4.36Å; M857-F888 HydrophobicContact CG-CD1 3.68Å; M857-F888 HydrophobicContact CG-CD2 4.07Å; M857-F888 HydrophobicContact CG-CE1 3.9Å; M857-F888 HydrophobicContact CG-CE2 4.26Å; M857-F888 HydrophobicContact CG-CG 3.77Å; M857-F888 HydrophobicContact CG-CZ 4.18Å; P860-F888 HydrophobicContact CB-CE2 3.95Å; P860-F888 HydrophobicContact CB-CZ 4.31Å; P860-F888 HydrophobicContact CG-CE2 3.97Å; K884-F888 WeakPolarHBondContact O-CB 3.33Å; K884-F888 PolarHBondContact O-N 3.11Å; K884-F888 VanDerWaalsContact O-N 3.09Å; E885-F888 PolarHBondContact O-N 2.97Å; W886-F888 VanDerWaalsContact C-N 3.33Å; W886-F888 PolarHBondContact O-N 2.82Å; F888-K890 VanDerWaalsContact C-N 3.33Å; F888-K890 PolarHBondContact O-N 2.91Å; F888-Q891 WeakPolarHBondContact O-CB 3.36Å; F888-Q891 PolarHBondContact O-N 3.43Å; F888-R892 HydrophobicContact CE1-CG 4.28Å; F888-R892 HydrophobicContact CZ-CG 4.48Å; F888-R892 PolarHBondContact O-N 2.92Å
889	L	96.4	Very high	89.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-38.7	178.9	-158.2	58.8	0	0	0	112.1	Y853 W856 Y874 I878 E885 W886 Q891 R892 L893 I906 A909 L910	Y853-L889 HydrophobicContact CE2-CD1 4.11Å; Y853-L889 VanDerWaalsContact OH-CB 3.3Å; Y853-L889 WeakPolarHBondContact OH-CB 3.41Å; W856-L889 HydrophobicContact CH2-CD1 4.14Å; W856-L889 HydrophobicContact CZ3-CD1 3.84Å; Y874-L889 HydrophobicContact CD1-CD1 4.35Å; Y874-L889 HydrophobicContact CD2-CD1 4.22Å; Y874-L889 HydrophobicContact CE2-CD1 4.44Å; Y874-L889 HydrophobicContact CG-CD1 4.17Å; Y874-L889 HydrophobicContact CG-CD2 4.37Å; I878-L889 HydrophobicContact CD1-CB 4.14Å; I878-L889 HydrophobicContact CD1-CD2 4.07Å; I878-L889 HydrophobicContact CG1-CD2 3.75Å; E885-L889 PolarHBondContact O-N 2.76Å; E885-L889 VanDerWaalsContact O-N 3.11Å; W886-L889 PolarHBondContact O-N 3.02Å; L889-Q891 VanDerWaalsContact C-N 3.3Å; L889-Q891 PolarHBondContact O-N 3.1Å; L889-R892 WeakPolarHBondContact O-CB 3.22Å; L889-R892 PolarHBondContact O-N 3.48Å; L889-R892 VanDerWaalsContact O-N 3.15Å; L889-L893 PolarHBondContact O-N 3.34Å; L889-I906 HydrophobicContact CD1-CD1 4.39Å; L889-I906 HydrophobicContact CD1-CG1 3.89Å; L889-I906 HydrophobicContact CD1-CG2 4.46Å; L889-I906 HydrophobicContact CD2-CG2 4.21Å; L889-I906 HydrophobicContact CG-CB 4.43Å; L889-I906 HydrophobicContact CG-CG1 4.12Å; L889-I906 HydrophobicContact CG-CG2 3.79Å; L889-A909 HydrophobicContact CD2-CB 3.73Å; L889-L910 HydrophobicContact CB-CD2 3.94Å; L889-L910 HydrophobicContact CD2-CD2 4.22Å; L889-L910 HydrophobicContact CD2-CG 4.3Å; L889-L910 HydrophobicContact CG-CD2 4.34Å
890	K	94.2	Very high	88.7	Confident	45 Å²	45	65.2 Å²	65.2	20%	0.196	33%	0.331	C	S	.	.	H	α-helix	trans	-62.5	-38	175.8	178.8	175.3	177.3	-175.6	0	111.7	W886 E887 F888 R892 L893 L894 L910	W886-K890 HydrophobicContact CE3-CB 4.44Å; W886-K890 HydrophobicContact CE3-CD 4.31Å; W886-K890 HydrophobicContact CH2-CD 3.41Å; W886-K890 VanDerWaalsContact CH2-CD 3.41Å; W886-K890 HydrophobicContact CZ2-CD 4.3Å; W886-K890 HydrophobicContact CZ3-CB 4.29Å; W886-K890 HydrophobicContact CZ3-CD 3.4Å; W886-K890 VanDerWaalsContact CZ3-CD 3.4Å; W886-K890 HydrophobicContact CZ3-CG 4.48Å; W886-K890 WeakPolarHBondContact O-CB 3.33Å; W886-K890 PolarHBondContact O-N 2.82Å; E887-K890 PolarHBondContact O-N 3.08Å; F888-K890 VanDerWaalsContact C-N 3.33Å; F888-K890 PolarHBondContact O-N 2.91Å; K890-R892 VanDerWaalsContact C-N 3.28Å; K890-R892 PolarHBondContact O-N 3.08Å; K890-L893 WeakPolarHBondContact O-CB 3.32Å; K890-L893 PolarHBondContact O-N 3.4Å; K890-L894 WeakPolarHBondContact O-CG 3.36Å; K890-L894 PolarHBondContact O-N 3.3Å; K890-L910 HydrophobicContact CB-CD2 4.2Å
891	Q	93.7	Very high	88	Confident	106 Å²	106	63.4 Å²	63.4	50%	0.495	32%	0.322	S	S	.	.	H	α-helix	trans	-60.8	-40.5	174.2	-74.2	172.2	3.4	0	0	111.3	E887 F888 L889 L893 L894	E887-Q891 WeakPolarHBondContact O-CG 3.38Å; E887-Q891 PolarHBondContact O-N 3.15Å; F888-Q891 WeakPolarHBondContact O-CB 3.36Å; F888-Q891 PolarHBondContact O-N 3.43Å; L889-Q891 VanDerWaalsContact C-N 3.3Å; L889-Q891 PolarHBondContact O-N 3.1Å; Q891-L893 VanDerWaalsContact C-N 3.32Å; Q891-L893 PolarHBondContact O-N 2.83Å; Q891-L894 PolarHBondContact O-N 3.12Å; Q891-L894 VanDerWaalsContact O-N 3.13Å
892	R	92.9	Very high	87.6	Confident	44 Å²	44	63 Å²	63	17%	0.166	31%	0.313	C	S	.	.	H	α-helix	trans	-63.6	-35.4	175.3	-59.9	-66.8	85.7	78.4	2.7	113	W856 F888 L889 K890 L894 D895 I898 I906	W856-R892 HydrophobicContact CH2-CB 4.24Å; W856-R892 HydrophobicContact CH2-CG 3.66Å; W856-R892 HydrophobicContact CZ2-CB 4.46Å; W856-R892 HydrophobicContact CZ2-CG 3.61Å; F888-R892 HydrophobicContact CE1-CG 4.28Å; F888-R892 HydrophobicContact CZ-CG 4.48Å; F888-R892 PolarHBondContact O-N 2.92Å; L889-R892 WeakPolarHBondContact O-CB 3.22Å; L889-R892 PolarHBondContact O-N 3.48Å; L889-R892 VanDerWaalsContact O-N 3.15Å; K890-R892 VanDerWaalsContact C-N 3.28Å; K890-R892 PolarHBondContact O-N 3.08Å; R892-L894 PolarHBondContact O-N 2.76Å; R892-D895 WeakPolarHBondContact CA-OD2 3.26Å; R892-D895 IonicContact NE-OD1 3.12Å; R892-D895 IonicContact NE-OD2 3.18Å; R892-D895 PolarHBondContact NE-OD2 3.25Å; R892-D895 VanDerWaalsContact NE-OD2 3.14Å; R892-D895 WeakPolarHBondContact O-CB 3.5Å; R892-D895 PolarHBondContact O-N 2.6Å; R892-I898 WeakPolarHBondContact O-CD1 3.32Å; R892-I906 HydrophobicContact CB-CD1 4.14Å
893	L	89.1	Confident	87.2	Confident	15 Å²	15	64.1 Å²	64.1	8%	0.079	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-31.2	174.1	-175.8	60.1	0	0	0	112.8	L889 K890 Q891 D895 I898 K903 I906 L907 L910 W925	L889-L893 PolarHBondContact O-N 3.34Å; K890-L893 WeakPolarHBondContact O-CB 3.32Å; K890-L893 PolarHBondContact O-N 3.4Å; Q891-L893 VanDerWaalsContact C-N 3.32Å; Q891-L893 PolarHBondContact O-N 2.83Å; L893-D895 VanDerWaalsContact C-N 3.31Å; L893-I898 HydrophobicContact CD1-CD1 4.35Å; L893-K903 HydrophobicContact CD1-CB 4.46Å; L893-K903 HydrophobicContact CD1-CG 3.85Å; L893-I906 HydrophobicContact CB-CG2 3.75Å; L893-I906 HydrophobicContact CD1-CB 4.39Å; L893-I906 HydrophobicContact CD1-CG2 4.06Å; L893-I906 HydrophobicContact CD2-CG2 4.39Å; L893-I906 HydrophobicContact CG-CG2 4.28Å; L893-L907 HydrophobicContact CD1-CD2 4.27Å; L893-L907 HydrophobicContact CD1-CG 4.13Å; L893-L907 HydrophobicContact CD2-CD2 3.66Å; L893-L907 HydrophobicContact CD2-CG 4.36Å; L893-L910 HydrophobicContact CD2-CD1 3.81Å; L893-W925 HydrophobicContact CD2-CH2 3.7Å; L893-W925 HydrophobicContact CD2-CZ3 3.92Å
894	L	86.7	Confident	86.6	Confident	107 Å²	107	63 Å²	63	56%	0.56	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	2.7	-176.8	-61.4	174	0	0	0	112.9	K890 Q891 R892 W925	K890-L894 WeakPolarHBondContact O-CG 3.36Å; K890-L894 PolarHBondContact O-N 3.3Å; Q891-L894 PolarHBondContact O-N 3.12Å; Q891-L894 VanDerWaalsContact O-N 3.13Å; R892-L894 PolarHBondContact O-N 2.76Å; L894-W925 HydrophobicContact CD2-CZ2 3.96Å
895	D	81.7	Confident	86.1	Confident	76 Å²	76	56.3 Å²	56.3	41%	0.406	28%	0.281	S	S	.	.			trans	-66.3	131.8	175.4	-67.4	-22.5	0	0	0	109.6	R892 L893 D897 I898	R892-D895 WeakPolarHBondContact CA-OD2 3.26Å; R892-D895 IonicContact NE-OD1 3.12Å; R892-D895 IonicContact NE-OD2 3.18Å; R892-D895 PolarHBondContact NE-OD2 3.25Å; R892-D895 VanDerWaalsContact NE-OD2 3.14Å; R892-D895 WeakPolarHBondContact O-CB 3.5Å; R892-D895 PolarHBondContact O-N 2.6Å; L893-D895 VanDerWaalsContact C-N 3.31Å; D895-D897 VanDerWaalsContact C-N 3.25Å; D895-D897 PolarHBondContact O-N 2.92Å; D895-I898 PolarHBondContact O-N 3.35Å
896	V	66.2	Low	85.8	Confident	134 Å²	134	53.6 Å²	53.6	81%	0.812	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-32	-169.8	178.6	0	0	0	0	113
897	D	70.6	Confident	85.4	Confident	133 Å²	133	53.9 Å²	53.9	71%	0.711	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	26.1	-174.5	-65.2	-39.5	0	0	0	113.3	D895 R899	D895-D897 VanDerWaalsContact C-N 3.25Å; D895-D897 PolarHBondContact O-N 2.92Å; D897-R899 PolarHBondContact O-N 2.81Å
898	I	78	Confident	85	Confident	45 Å²	45	53.2 Å²	53.2	23%	0.231	27%	0.268	C	S	.	.			trans	-62.8	134.3	-179.9	-164.2	165.4	0	0	0	111.8	R892 L893 D895 E902 K903 I906	R892-I898 WeakPolarHBondContact O-CD1 3.32Å; L893-I898 HydrophobicContact CD1-CD1 4.35Å; D895-I898 PolarHBondContact O-N 3.35Å; I898-E902 HydrophobicContact CD1-CG 4.31Å; I898-E902 HydrophobicContact CG1-CB 4.14Å; I898-E902 HydrophobicContact CG1-CG 4.14Å; I898-K903 HydrophobicContact CD1-CB 4.34Å; I898-K903 HydrophobicContact CG1-CB 4.39Å; I898-K903 HydrophobicContact CG2-CB 4.35Å; I898-I906 HydrophobicContact CD1-CD1 3.69Å
899	R	77.3	Confident	84.8	Confident	64 Å²	64	52.3 Å²	52.3	24%	0.242	26%	0.264	C	S	.	.			trans	-77.9	148.2	176.9	-159.4	173.8	64.2	-108.7	-4	110.3	F451 D897 D901 E902 K903	F451-R899 PolarHBondContact O-NH2 2.93Å; D897-R899 PolarHBondContact O-N 2.81Å; R899-D901 WeakPolarHBondContact CB-OD1 3.39Å; R899-D901 WeakPolarHBondContact CD-OD1 3.47Å; R899-D901 VanDerWaalsContact CG-OD1 3.24Å; R899-D901 WeakPolarHBondContact CG-OD1 3.4Å; R899-D901 IonicContact CZ-OD1 3.16Å; R899-D901 VanDerWaalsContact CZ-OD1 3.24Å; R899-D901 IonicContact CZ-OD2 3.98Å; R899-D901 VanDerWaalsContact NE-CG 3.31Å; R899-D901 IonicContact NE-OD1 2.62Å; R899-D901 PolarHBondContact NE-OD1 2.7Å; R899-D901 IonicContact NE-OD2 3.23Å; R899-D901 PolarHBondContact NE-OD2 3.35Å; R899-D901 IonicContact NH2-OD1 3.72Å; R899-D901 PolarHBondContact NH2-OD1 3.41Å; R899-D901 IonicContact NH2-OD2 3.2Å; R899-D901 PolarHBondContact NH2-OD2 3.06Å; R899-D901 PolarHBondContact O-N 2.94Å; R899-E902 HydrophobicContact CB-CB 4.38Å; R899-E902 CarbonylContact O-C 3.58Å; R899-E902 WeakPolarHBondContact O-CA 3.41Å; R899-E902 WeakPolarHBondContact O-CB 3.38Å; R899-E902 PolarHBondContact O-N 2.79Å; R899-E902 VanDerWaalsContact O-N 3.08Å; R899-K903 PolarHBondContact O-N 3.22Å
900	E	76.6	Confident	84.7	Confident	72 Å²	72	52.4 Å²	52.4	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-63	-39.6	-171.6	-169.7	53.2	-139.1	0	0	114.2	A443 E902 K903 N904	A443-E900 HydrophobicContact CB-CB 4.43Å; A443-E900 HydrophobicContact CB-CG 4.08Å; E900-E902 VanDerWaalsContact C-N 3.34Å; E900-E902 PolarHBondContact O-N 3.09Å; E900-K903 PolarHBondContact O-N 2.67Å; E900-K903 IonicContact OE2-NZ 2.66Å; E900-N904 WeakPolarHBondContact O-CB 3.48Å; E900-N904 PolarHBondContact O-N 2.84Å; E900-N904 PolarHBondContact O-ND2 2.98Å; E900-N904 PolarHBondContact OE1-ND2 3.15Å
901	D	78.4	Confident	84.6	Confident	29 Å²	29	50.3 Å²	50.3	16%	0.155	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-35	173.8	61.8	-29.7	0	0	0	112.6	R899 S905	R899-D901 WeakPolarHBondContact CB-OD1 3.39Å; R899-D901 WeakPolarHBondContact CD-OD1 3.47Å; R899-D901 VanDerWaalsContact CG-OD1 3.24Å; R899-D901 WeakPolarHBondContact CG-OD1 3.4Å; R899-D901 IonicContact CZ-OD1 3.16Å; R899-D901 VanDerWaalsContact CZ-OD1 3.24Å; R899-D901 IonicContact CZ-OD2 3.98Å; R899-D901 VanDerWaalsContact NE-CG 3.31Å; R899-D901 IonicContact NE-OD1 2.62Å; R899-D901 PolarHBondContact NE-OD1 2.7Å; R899-D901 IonicContact NE-OD2 3.23Å; R899-D901 PolarHBondContact NE-OD2 3.35Å; R899-D901 IonicContact NH2-OD1 3.72Å; R899-D901 PolarHBondContact NH2-OD1 3.41Å; R899-D901 IonicContact NH2-OD2 3.2Å; R899-D901 PolarHBondContact NH2-OD2 3.06Å; R899-D901 PolarHBondContact O-N 2.94Å; D901-S905 WeakPolarHBondContact O-CB 3.17Å; D901-S905 PolarHBondContact O-N 2.72Å; D901-S905 PolarHBondContact O-OG 3.17Å
902	E	85.2	Confident	84.6	Confident	20 Å²	20	45.4 Å²	45.4	9%	0.093	23%	0.233	C	C	.	.	H	α-helix	trans	-69.2	-45.4	173.7	-169.9	71.6	-169.9	0	0	111	R870 Y874 I898 R899 E900 N904 S905 I906	R870-E902 VanDerWaalsContact CD-OE2 3.26Å; R870-E902 WeakPolarHBondContact CD-OE2 3.33Å; R870-E902 IonicContact CZ-OE2 3.37Å; R870-E902 IonicContact NE-OE2 2.78Å; R870-E902 IonicContact NH1-OE1 3.55Å; R870-E902 IonicContact NH1-OE2 3.06Å; R870-E902 PolarHBondContact NH1-OE2 3.23Å; Y874-E902 VanDerWaalsContact CE2-OE1 3.31Å; Y874-E902 WeakPolarHBondContact CE2-OE1 3.34Å; Y874-E902 VanDerWaalsContact CZ-OE1 3.3Å; Y874-E902 PolarHBondContact OH-OE1 3.15Å; I898-E902 HydrophobicContact CD1-CG 4.31Å; I898-E902 HydrophobicContact CG1-CB 4.14Å; I898-E902 HydrophobicContact CG1-CG 4.14Å; R899-E902 HydrophobicContact CB-CB 4.38Å; R899-E902 CarbonylContact O-C 3.58Å; R899-E902 WeakPolarHBondContact O-CA 3.41Å; R899-E902 WeakPolarHBondContact O-CB 3.38Å; R899-E902 PolarHBondContact O-N 2.79Å; R899-E902 VanDerWaalsContact O-N 3.08Å; E900-E902 VanDerWaalsContact C-N 3.34Å; E900-E902 PolarHBondContact O-N 3.09Å; E902-N904 PolarHBondContact O-N 3.38Å; E902-S905 PolarHBondContact O-N 3.17Å; E902-I906 HydrophobicContact CG-CD1 3.98Å; E902-I906 WeakPolarHBondContact O-CG1 2.92Å; E902-I906 PolarHBondContact O-N 2.71Å
903	K	85.1	Confident	84.6	Confident	44 Å²	44	43.6 Å²	43.6	19%	0.191	23%	0.227	C	C	.	.	H	α-helix	trans	-52.7	-51.9	173.1	179.4	-168.9	171.8	-164.5	0	110.5	L893 I898 R899 E900 S905 I906 L907 D936	L893-K903 HydrophobicContact CD1-CB 4.46Å; L893-K903 HydrophobicContact CD1-CG 3.85Å; I898-K903 HydrophobicContact CD1-CB 4.34Å; I898-K903 HydrophobicContact CG1-CB 4.39Å; I898-K903 HydrophobicContact CG2-CB 4.35Å; R899-K903 PolarHBondContact O-N 3.22Å; E900-K903 PolarHBondContact O-N 2.67Å; E900-K903 IonicContact OE2-NZ 2.66Å; K903-S905 PolarHBondContact O-N 2.83Å; K903-I906 PolarHBondContact O-N 2.75Å; K903-L907 HydrophobicContact CG-CD1 4.08Å; K903-L907 WeakPolarHBondContact O-CG 2.92Å; K903-L907 PolarHBondContact O-N 3.18Å; K903-D936 IonicContact NZ-OD1 3.85Å; K903-D936 IonicContact NZ-OD2 3.86Å; K903-D936 PolarHBondContact NZ-OD2 3.3Å
904	N	80.9	Confident	84.7	Confident	65 Å²	65	48.5 Å²	48.5	35%	0.348	24%	0.244	S	C	.	.	H	α-helix	trans	-63.7	-41.7	179.5	-74.7	-52.1	0	0	0	112.5	E900 E902 I906 L907 Q908	E900-N904 WeakPolarHBondContact O-CB 3.48Å; E900-N904 PolarHBondContact O-N 2.84Å; E900-N904 PolarHBondContact O-ND2 2.98Å; E900-N904 PolarHBondContact OE1-ND2 3.15Å; E902-N904 PolarHBondContact O-N 3.38Å; N904-I906 VanDerWaalsContact C-N 3.29Å; N904-I906 PolarHBondContact O-N 3.38Å; N904-L907 PolarHBondContact O-N 3.04Å; N904-Q908 WeakPolarHBondContact O-CB 3.26Å; N904-Q908 PolarHBondContact O-N 3.45Å
905	S	87	Confident	85	Confident	19 Å²	19	46.3 Å²	46.3	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-38.4	176	-61.2	0	0	0	0	112.1	D901 E902 K903 A909	D901-S905 WeakPolarHBondContact O-CB 3.17Å; D901-S905 PolarHBondContact O-N 2.72Å; D901-S905 PolarHBondContact O-OG 3.17Å; E902-S905 PolarHBondContact O-N 3.17Å; K903-S905 PolarHBondContact O-N 2.83Å; S905-A909 VanDerWaalsContact O-CB 3.29Å; S905-A909 WeakPolarHBondContact O-CB 3.48Å; S905-A909 PolarHBondContact O-N 2.95Å; S905-A909 VanDerWaalsContact O-N 3.09Å
906	I	92.3	Very high	85.4	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-72.6	-46.9	177.9	-71.1	166	0	0	0	111.5	Y874 L889 R892 L893 I898 E902 K903 N904 Q908 A909 L910	Y874-I906 HydrophobicContact CD2-CG1 4.05Å; Y874-I906 HydrophobicContact CE2-CG1 3.9Å; L889-I906 HydrophobicContact CD1-CD1 4.39Å; L889-I906 HydrophobicContact CD1-CG1 3.89Å; L889-I906 HydrophobicContact CD1-CG2 4.46Å; L889-I906 HydrophobicContact CD2-CG2 4.21Å; L889-I906 HydrophobicContact CG-CB 4.43Å; L889-I906 HydrophobicContact CG-CG1 4.12Å; L889-I906 HydrophobicContact CG-CG2 3.79Å; R892-I906 HydrophobicContact CB-CD1 4.14Å; L893-I906 HydrophobicContact CB-CG2 3.75Å; L893-I906 HydrophobicContact CD1-CB 4.39Å; L893-I906 HydrophobicContact CD1-CG2 4.06Å; L893-I906 HydrophobicContact CD2-CG2 4.39Å; L893-I906 HydrophobicContact CG-CG2 4.28Å; I898-I906 HydrophobicContact CD1-CD1 3.69Å; E902-I906 HydrophobicContact CG-CD1 3.98Å; E902-I906 WeakPolarHBondContact O-CG1 2.92Å; E902-I906 PolarHBondContact O-N 2.71Å; K903-I906 PolarHBondContact O-N 2.75Å; N904-I906 VanDerWaalsContact C-N 3.29Å; N904-I906 PolarHBondContact O-N 3.38Å; I906-Q908 VanDerWaalsContact C-N 3.26Å; I906-Q908 PolarHBondContact O-N 2.88Å; I906-A909 PolarHBondContact O-N 2.96Å; I906-A909 VanDerWaalsContact O-N 3.08Å; I906-L910 HydrophobicContact CG2-CD1 3.76Å; I906-L910 HydrophobicContact CG2-CG 4.05Å; I906-L910 VanDerWaalsContact O-CG 3.32Å; I906-L910 WeakPolarHBondContact O-CG 3.48Å; I906-L910 PolarHBondContact O-N 3.36Å
907	L	87.2	Confident	86.7	Confident	13 Å²	13	47.3 Å²	47.3	7%	0.068	22%	0.222	C	C	.	.	H	α-helix	trans	-55.8	-43.4	176.9	-75	172.1	0	0	0	111.5	L893 K903 N904 S911 W925	L893-L907 HydrophobicContact CD1-CD2 4.27Å; L893-L907 HydrophobicContact CD1-CG 4.13Å; L893-L907 HydrophobicContact CD2-CD2 3.66Å; L893-L907 HydrophobicContact CD2-CG 4.36Å; K903-L907 HydrophobicContact CG-CD1 4.08Å; K903-L907 WeakPolarHBondContact O-CG 2.92Å; K903-L907 PolarHBondContact O-N 3.18Å; N904-L907 PolarHBondContact O-N 3.04Å; L907-S911 PolarHBondContact O-OG 2.99Å; L907-W925 HydrophobicContact CD2-CZ3 4.37Å
908	Q	88	Confident	87.8	Confident	67 Å²	67	41 Å²	41	31%	0.313	19%	0.189	S	C	.	.	H	α-helix	trans	-62.9	-47.2	174.1	-171.3	-179.5	-3.3	0	0	112.1	N904 I906 L910 S911 L946 Y947	N904-Q908 WeakPolarHBondContact O-CB 3.26Å; N904-Q908 PolarHBondContact O-N 3.45Å; I906-Q908 VanDerWaalsContact C-N 3.26Å; I906-Q908 PolarHBondContact O-N 2.88Å; Q908-L910 PolarHBondContact O-N 3.45Å; Q908-S911 WeakPolarHBondContact O-CB 3.46Å; Q908-S911 PolarHBondContact O-N 3.36Å; Q908-L946 HydrophobicContact CG-CD1 4.11Å; Q908-Y947 HydrophobicContact CG-CE2 4.49Å; Q908-Y947 PolarHBondContact NE2-OH 2.93Å
909	A	94	Very high	88.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.9	-35.9	-177	0	0	0	0	0	114	Y874 C875 I878 L889 S905 I906 S911 C912	Y874-A909 HydrophobicContact CG-CB 4.44Å; C875-A909 HydrophobicContact CB-CB 4.35Å; I878-A909 WeakPolarHBondContact CB-O 3.35Å; I878-A909 WeakPolarHBondContact CG2-O 3.37Å; L889-A909 HydrophobicContact CD2-CB 3.73Å; S905-A909 VanDerWaalsContact O-CB 3.29Å; S905-A909 WeakPolarHBondContact O-CB 3.48Å; S905-A909 PolarHBondContact O-N 2.95Å; S905-A909 VanDerWaalsContact O-N 3.09Å; I906-A909 PolarHBondContact O-N 2.96Å; I906-A909 VanDerWaalsContact O-N 3.08Å; A909-S911 PolarHBondContact O-N 3.17Å; A909-S911 VanDerWaalsContact O-N 3.17Å; A909-C912 VanDerWaalsContact O-CB 3.28Å; A909-C912 WeakPolarHBondContact O-CB 3.32Å; A909-C912 PolarHBondContact O-N 3.49Å
910	L	93.7	Very high	89.1	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-21.3	176.2	-72.7	171.7	0	0	0	112.6	W886 L889 K890 L893 I906 Q908 H922	W886-L910 HydrophobicContact CD2-CD2 4.06Å; W886-L910 HydrophobicContact CG-CD2 4.08Å; W886-L910 HydrophobicContact CZ2-CD2 4.26Å; W886-L910 PolarHBondContact NE1-O 3.43Å; W886-L910 VanDerWaalsContact NE1-O 3.08Å; L889-L910 HydrophobicContact CB-CD2 3.94Å; L889-L910 HydrophobicContact CD2-CD2 4.22Å; L889-L910 HydrophobicContact CD2-CG 4.3Å; L889-L910 HydrophobicContact CG-CD2 4.34Å; K890-L910 HydrophobicContact CB-CD2 4.2Å; L893-L910 HydrophobicContact CD2-CD1 3.81Å; I906-L910 HydrophobicContact CG2-CD1 3.76Å; I906-L910 HydrophobicContact CG2-CG 4.05Å; I906-L910 VanDerWaalsContact O-CG 3.32Å; I906-L910 WeakPolarHBondContact O-CG 3.48Å; I906-L910 PolarHBondContact O-N 3.36Å; Q908-L910 PolarHBondContact O-N 3.45Å; L910-H922 WeakPolarHBondContact CB-NE2 3.44Å
911	S	91.7	Very high	89.7	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.007	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.1	175.3	-60	0	0	0	0	114	L907 Q908 A909 S913 V944 Y947	L907-S911 PolarHBondContact O-OG 2.99Å; Q908-S911 WeakPolarHBondContact O-CB 3.46Å; Q908-S911 PolarHBondContact O-N 3.36Å; A909-S911 PolarHBondContact O-N 3.17Å; A909-S911 VanDerWaalsContact O-N 3.17Å; S911-S913 VanDerWaalsContact C-N 3.33Å; S911-S913 PolarHBondContact O-N 2.82Å; S911-V944 WeakPolarHBondContact OG-CG2 3.41Å; S911-V944 PolarHBondContact OG-N 3.43Å; S911-Y947 WeakPolarHBondContact O-CD2 3.11Å
912	C	93.5	Very high	90.3	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.027	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.4	-176	-59.9	0	0	0	0	114.9	C875 I878 R879 A909 Y947	C875-C912 WeakPolarHBondContact CA-SG 3.47Å; C875-C912 HydrophobicContact CB-CB 4.03Å; C875-C912 WeakPolarHBondContact CB-SG 3.35Å; C875-C912 VanDerWaalsContact O-CB 3.3Å; C875-C912 WeakPolarHBondContact O-CB 3.13Å; C875-C912 WeakPolarHBondContact SG-CB 3.42Å; C875-C912 CovalentContact SG-SG 2.04Å; C875-C912 PolarHBondContact SG-SG 3.46Å; I878-C912 HydrophobicContact CG2-CB 4.49Å; R879-C912 WeakPolarHBondContact CA-O 3.48Å; R879-C912 HydrophobicContact CB-CB 4.24Å; R879-C912 VanDerWaalsContact CB-O 3.29Å; R879-C912 WeakPolarHBondContact CB-O 3.37Å; A909-C912 VanDerWaalsContact O-CB 3.28Å; A909-C912 WeakPolarHBondContact O-CB 3.32Å; A909-C912 PolarHBondContact O-N 3.49Å; C912-Y947 HydrophobicContact CB-CE1 4.34Å; C912-Y947 VanDerWaalsContact SG-CE1 3.51Å; C912-Y947 PolarHBondContact SG-OH 3Å
913	S	94.3	Very high	90.4	Very high	5 Å²	5	38.8 Å²	38.8	4%	0.035	18%	0.177	C	C	.	.			trans	-62.9	143.9	-175.1	-178.5	0	0	0	0	111.8	S911 D915 V919	S911-S913 VanDerWaalsContact C-N 3.33Å; S911-S913 PolarHBondContact O-N 2.82Å; S913-D915 PolarHBondContact OG-N 3.3Å; S913-D915 VanDerWaalsContact OG-N 3.07Å; S913-V919 WeakPolarHBondContact O-CG2 3.26Å
914	R	90.6	Very high	90.5	Very high	119 Å²	119	42.1 Å²	42.1	45%	0.449	19%	0.193	S	C	.	.	S	Bend	trans	-83.8	-15.3	170.9	-68.3	179.3	174.9	168.9	0.7	112.7	E841 R879 M916 I949	E841-R914 IonicContact OE1-CZ 3.2Å; E841-R914 IonicContact OE1-NH2 2.69Å; E841-R914 PolarHBondContact OE1-NH2 3.45Å; E841-R914 IonicContact OE2-CZ 2.81Å; E841-R914 IonicContact OE2-NH1 3.83Å; E841-R914 IonicContact OE2-NH2 3.79Å; E841-R914 PolarHBondContact OE2-NH2 3.39Å; R879-R914 HydrophobicContact CG-CG 4.15Å; R879-R914 WeakPolarHBondContact O-CD 3.47Å; R879-R914 WeakPolarHBondContact O-CG 3.17Å; R914-M916 PolarHBondContact O-N 2.89Å; R914-I949 VanDerWaalsContact O-CD1 3.29Å; R914-I949 WeakPolarHBondContact O-CD1 3.31Å
915	D	93.1	Very high	90.7	Very high	61 Å²	61	41.6 Å²	41.6	33%	0.326	19%	0.186	S	C	.	.			trans	-79.9	104.1	178.2	-70.6	-41.4	0	0	0	109.9	S913 W917 V918 V919	S913-D915 PolarHBondContact OG-N 3.3Å; S913-D915 VanDerWaalsContact OG-N 3.07Å; D915-W917 PolarHBondContact O-N 2.66Å; D915-W917 VanDerWaalsContact O-N 3.14Å; D915-V918 HydrophobicContact CB-CB 3.92Å; D915-V918 HydrophobicContact CB-CG2 3.59Å; D915-V918 WeakPolarHBondContact O-CB 3.32Å; D915-V918 PolarHBondContact O-N 3.45Å; D915-V919 PolarHBondContact O-N 2.88Å; D915-V919 VanDerWaalsContact O-N 3.1Å
916	M	90.7	Very high	90.7	Very high	102 Å²	102	40.7 Å²	40.7	50%	0.502	18%	0.18	S	C	.	.	H	α-helix	trans	-55	-36.2	-177	-164.7	-174	-60.4	0	0	112.8	R914 V919 R920 I949 L953	R914-M916 PolarHBondContact O-N 2.89Å; M916-V919 PolarHBondContact O-N 3.23Å; M916-R920 WeakPolarHBondContact O-CB 3.46Å; M916-R920 PolarHBondContact O-N 3.24Å; M916-I949 HydrophobicContact CB-CG2 4.27Å; M916-I949 HydrophobicContact CG-CG2 4.01Å; M916-L953 HydrophobicContact CG-CD1 4.28Å; M916-L953 HydrophobicContact CG-CD2 4.09Å; M916-L953 HydrophobicContact CG-CG 4.38Å
917	W	93.2	Very high	90.2	Very high	129 Å²	129	41.5 Å²	41.5	49%	0.489	18%	0.184	S	C	.	.	H	α-helix	trans	-69.2	-32.8	177.5	75.1	-92.4	0	0	0	112.7	Q883 D915 R920 L921	Q883-W917 HydrophobicContact CB-CH2 4.32Å; Q883-W917 HydrophobicContact CB-CZ2 4.27Å; Q883-W917 HydrophobicContact CG-CH2 3.98Å; Q883-W917 HydrophobicContact CG-CZ2 4.43Å; D915-W917 PolarHBondContact O-N 2.66Å; D915-W917 VanDerWaalsContact O-N 3.14Å; W917-R920 PolarHBondContact O-N 2.98Å; W917-L921 HydrophobicContact CZ3-CD2 4.45Å; W917-L921 WeakPolarHBondContact O-CB 3.48Å; W917-L921 PolarHBondContact O-N 3.43Å
918	V	93.5	Very high	89.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-44.8	175	174.8	0	0	0	0	110.2	W886 D915 R920 L921 H922	W886-V918 HydrophobicContact CB-CG1 4.22Å; W886-V918 HydrophobicContact CD2-CG1 3.51Å; W886-V918 HydrophobicContact CE3-CG1 4.25Å; W886-V918 HydrophobicContact CG-CG1 3.45Å; W886-V918 VanDerWaalsContact CG-CG1 3.45Å; W886-V918 HydrophobicContact CZ2-CG1 4.25Å; D915-V918 HydrophobicContact CB-CB 3.92Å; D915-V918 HydrophobicContact CB-CG2 3.59Å; D915-V918 WeakPolarHBondContact O-CB 3.32Å; D915-V918 PolarHBondContact O-N 3.45Å; V918-R920 VanDerWaalsContact C-N 3.3Å; V918-R920 PolarHBondContact O-N 2.91Å; V918-L921 WeakPolarHBondContact O-CB 3.49Å; V918-L921 PolarHBondContact O-N 2.88Å; V918-H922 PolarHBondContact O-N 2.89Å
919	V	91.5	Very high	89.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-38.1	176.8	-175	0	0	0	0	110.7	S913 D915 M916 H922 L923 V944 I949 L953	S913-V919 WeakPolarHBondContact O-CG2 3.26Å; D915-V919 PolarHBondContact O-N 2.88Å; D915-V919 VanDerWaalsContact O-N 3.1Å; M916-V919 PolarHBondContact O-N 3.23Å; V919-H922 WeakPolarHBondContact O-CB 3.4Å; V919-H922 PolarHBondContact O-N 3.25Å; V919-L923 WeakPolarHBondContact O-CB 3.24Å; V919-L923 PolarHBondContact O-N 2.93Å; V919-V944 HydrophobicContact CG1-CG1 4.34Å; V919-I949 HydrophobicContact CB-CG2 4.09Å; V919-I949 HydrophobicContact CG1-CG2 4.32Å; V919-I949 HydrophobicContact CG2-CG2 3.99Å; V919-L953 HydrophobicContact CB-CD1 3.65Å; V919-L953 HydrophobicContact CG1-CD1 3.57Å
920	R	90.7	Very high	88.4	Confident	100 Å²	100	50.4 Å²	50.4	38%	0.377	23%	0.227	S	C	.	.	H	α-helix	trans	-62.8	-46.6	173.7	-178	173.4	-72.9	-157.2	-2.3	112	M916 W917 V918 H922 L923 E924 L953 E956	M916-R920 WeakPolarHBondContact O-CB 3.46Å; M916-R920 PolarHBondContact O-N 3.24Å; W917-R920 PolarHBondContact O-N 2.98Å; V918-R920 VanDerWaalsContact C-N 3.3Å; V918-R920 PolarHBondContact O-N 2.91Å; R920-H922 VanDerWaalsContact C-N 3.26Å; R920-H922 PolarHBondContact O-N 3.33Å; R920-L923 PolarHBondContact O-N 3.49Å; R920-E924 WeakPolarHBondContact O-CG 3.25Å; R920-E924 PolarHBondContact O-N 3.39Å; R920-L953 HydrophobicContact CB-CD1 4.21Å; R920-L953 HydrophobicContact CB-CD2 4.31Å; R920-E956 IonicContact CZ-OE2 2.81Å; R920-E956 IonicContact NH2-OE2 3.68Å; R920-E956 PolarHBondContact NH2-OE2 3.01Å
921	L	90	Very high	87	Confident	73 Å²	73	53.3 Å²	53.3	38%	0.382	24%	0.24	S	C	.	.	H	α-helix	trans	-58.4	-40.4	174.8	-176.4	73.6	0	0	0	111.6	W886 W917 V918 W925	W886-L921 HydrophobicContact CH2-CD2 4.13Å; W886-L921 HydrophobicContact CZ3-CD2 4.11Å; W917-L921 HydrophobicContact CZ3-CD2 4.45Å; W917-L921 WeakPolarHBondContact O-CB 3.48Å; W917-L921 PolarHBondContact O-N 3.43Å; V918-L921 WeakPolarHBondContact O-CB 3.49Å; V918-L921 PolarHBondContact O-N 2.88Å; L921-W925 WeakPolarHBondContact O-CB 3.48Å; L921-W925 PolarHBondContact O-N 2.77Å
922	H	90.5	Very high	85.4	Confident	0 Å²	0	63 Å²	63	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-47.8	176	-170.3	34.1	0	0	0	111.9	W886 L910 V918 V919 R920 W925 I926	W886-H922 HydrophobicContact CZ2-CB 3.73Å; W886-H922 AromaticContact CZ2-CG 4Å; L910-H922 WeakPolarHBondContact CB-NE2 3.44Å; V918-H922 PolarHBondContact O-N 2.89Å; V919-H922 WeakPolarHBondContact O-CB 3.4Å; V919-H922 PolarHBondContact O-N 3.25Å; R920-H922 VanDerWaalsContact C-N 3.26Å; R920-H922 PolarHBondContact O-N 3.33Å; H922-W925 PolarHBondContact O-N 2.8Å; H922-I926 VanDerWaalsContact CE1-CD1 3.5Å; H922-I926 WeakPolarHBondContact CE1-CD1 3.44Å; H922-I926 WeakPolarHBondContact NE2-CD1 3.31Å; H922-I926 WeakPolarHBondContact O-CG1 3.46Å; H922-I926 PolarHBondContact O-N 2.94Å
923	L	87.1	Confident	84.2	Confident	9 Å²	9	66 Å²	66	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-47.9	178.9	177.7	61.4	0	0	0	111.5	V919 R920 W925 I926 I927 L941 L953 L954	V919-L923 WeakPolarHBondContact O-CB 3.24Å; V919-L923 PolarHBondContact O-N 2.93Å; R920-L923 PolarHBondContact O-N 3.49Å; L923-W925 VanDerWaalsContact C-N 3.31Å; L923-W925 PolarHBondContact O-N 3.4Å; L923-I926 PolarHBondContact O-N 2.83Å; L923-I927 HydrophobicContact CD1-CD1 3.93Å; L923-I927 HydrophobicContact CD1-CG1 4.33Å; L923-I927 HydrophobicContact CG-CD1 3.99Å; L923-I927 WeakPolarHBondContact O-CB 3.29Å; L923-I927 VanDerWaalsContact O-CG1 3.31Å; L923-I927 WeakPolarHBondContact O-CG1 3.36Å; L923-I927 PolarHBondContact O-N 3.46Å; L923-L941 HydrophobicContact CD1-CD2 3.19Å; L923-L953 HydrophobicContact CD2-CB 4.05Å; L923-L954 HydrophobicContact CD1-CD2 3.68Å; L923-L954 HydrophobicContact CD2-CD2 4.34Å
924	E	86.2	Confident	82.8	Confident	114 Å²	114	66 Å²	66	53%	0.533	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-39.8	176.2	-72.7	175.3	-171.8	0	0	111.9	R920 K928	R920-E924 WeakPolarHBondContact O-CG 3.25Å; R920-E924 PolarHBondContact O-N 3.39Å; E924-K928 VanDerWaalsContact O-CB 3.24Å; E924-K928 WeakPolarHBondContact O-CB 3.43Å; E924-K928 PolarHBondContact O-N 3.36Å
925	W	86.5	Confident	81.6	Confident	54 Å²	54	63.9 Å²	63.9	21%	0.205	29%	0.293	C	S	.	.	H	α-helix	trans	-65.9	-45.5	175.8	178.9	88.8	0	0	0	111.8	L893 L894 L907 L921 H922 L923 I927 K928 N929	L893-W925 HydrophobicContact CD2-CH2 3.7Å; L893-W925 HydrophobicContact CD2-CZ3 3.92Å; L894-W925 HydrophobicContact CD2-CZ2 3.96Å; L907-W925 HydrophobicContact CD2-CZ3 4.37Å; L921-W925 WeakPolarHBondContact O-CB 3.48Å; L921-W925 PolarHBondContact O-N 2.77Å; H922-W925 PolarHBondContact O-N 2.8Å; L923-W925 VanDerWaalsContact C-N 3.31Å; L923-W925 PolarHBondContact O-N 3.4Å; W925-I927 VanDerWaalsContact C-N 3.35Å; W925-I927 PolarHBondContact O-N 3.22Å; W925-K928 PolarHBondContact O-N 3.44Å; W925-N929 PolarHBondContact NE1-ND2 3.06Å; W925-N929 WeakPolarHBondContact O-CB 3.37Å; W925-N929 PolarHBondContact O-N 3.48Å; W925-N929 PolarHBondContact O-ND2 2.89Å
926	I	85.9	Confident	80.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-56.4	-52.5	175.6	-76	166.6	0	0	0	109.6	H922 L923 K928 N929 N930 L937 A940 L941 V944	H922-I926 VanDerWaalsContact CE1-CD1 3.5Å; H922-I926 WeakPolarHBondContact CE1-CD1 3.44Å; H922-I926 WeakPolarHBondContact NE2-CD1 3.31Å; H922-I926 WeakPolarHBondContact O-CG1 3.46Å; H922-I926 PolarHBondContact O-N 2.94Å; L923-I926 PolarHBondContact O-N 2.83Å; I926-K928 VanDerWaalsContact C-N 3.35Å; I926-K928 PolarHBondContact O-N 2.94Å; I926-N929 PolarHBondContact O-N 2.96Å; I926-N930 WeakPolarHBondContact O-CB 3.29Å; I926-N930 PolarHBondContact O-N 3.31Å; I926-N930 PolarHBondContact O-ND2 3.42Å; I926-L937 HydrophobicContact CG2-CD1 3.8Å; I926-A940 HydrophobicContact CB-CB 4.36Å; I926-A940 HydrophobicContact CD1-CB 4Å; I926-A940 HydrophobicContact CG1-CB 4Å; I926-A940 HydrophobicContact CG2-CB 3.45Å; I926-A940 VanDerWaalsContact CG2-CB 3.45Å; I926-L941 HydrophobicContact CG2-CD2 3.94Å; I926-L941 HydrophobicContact CG2-CG 4.11Å; I926-V944 HydrophobicContact CD1-CG2 3.83Å
927	I	81.3	Confident	79.9	Confident	18 Å²	18	58.4 Å²	58.4	9%	0.092	27%	0.266	C	S	.	.	H	α-helix	trans	-57.5	-52.1	-179.1	-70.3	167.8	0	0	0	108.8	L923 W925 N929 Q931 L937 L941 V1003	L923-I927 HydrophobicContact CD1-CD1 3.93Å; L923-I927 HydrophobicContact CD1-CG1 4.33Å; L923-I927 HydrophobicContact CG-CD1 3.99Å; L923-I927 WeakPolarHBondContact O-CB 3.29Å; L923-I927 VanDerWaalsContact O-CG1 3.31Å; L923-I927 WeakPolarHBondContact O-CG1 3.36Å; L923-I927 PolarHBondContact O-N 3.46Å; W925-I927 VanDerWaalsContact C-N 3.35Å; W925-I927 PolarHBondContact O-N 3.22Å; I927-N929 PolarHBondContact O-N 2.89Å; I927-Q931 WeakPolarHBondContact O-CG 3.29Å; I927-Q931 PolarHBondContact O-N 3.48Å; I927-L937 HydrophobicContact CG1-CD1 4.32Å; I927-L941 HydrophobicContact CG1-CD2 4.18Å; I927-V1003 HydrophobicContact CD1-CG1 4.02Å; I927-V1003 HydrophobicContact CG1-CG1 4.1Å; I927-V1003 HydrophobicContact CG2-CG1 4.32Å; I927-V1003 HydrophobicContact CG2-CG2 3.83Å
928	K	80.7	Confident	79.2	Confident	154 Å²	154	52.4 Å²	52.4	67%	0.67	24%	0.243	S	C	*	.	H	α-helix	trans	-62.3	-38.5	-176.4	-175	178.6	179	-179.5	0	114.2	E924 W925 I926	E924-K928 VanDerWaalsContact O-CB 3.24Å; E924-K928 WeakPolarHBondContact O-CB 3.43Å; E924-K928 PolarHBondContact O-N 3.36Å; W925-K928 PolarHBondContact O-N 3.44Å; I926-K928 VanDerWaalsContact C-N 3.35Å; I926-K928 PolarHBondContact O-N 2.94Å
929	N	78.5	Confident	78.3	Confident	89 Å²	89	55.1 Å²	55.1	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-88.4	-24.5	-173.5	-69.2	-85.2	0	0	0	113.2	W925 I926 I927	W925-N929 PolarHBondContact NE1-ND2 3.06Å; W925-N929 WeakPolarHBondContact O-CB 3.37Å; W925-N929 PolarHBondContact O-N 3.48Å; W925-N929 PolarHBondContact O-ND2 2.89Å; I926-N929 PolarHBondContact O-N 2.96Å; I927-N929 PolarHBondContact O-N 2.89Å
930	N	72.8	Confident	77.8	Confident	24 Å²	24	55.1 Å²	55.1	13%	0.128	26%	0.258	C	S	.	.	S	Bend	trans	-104.7	13.8	-178.2	-57.1	-38.1	0	0	0	113.2	I926 K932 D933 D936 L937	I926-N930 WeakPolarHBondContact O-CB 3.29Å; I926-N930 PolarHBondContact O-N 3.31Å; I926-N930 PolarHBondContact O-ND2 3.42Å; N930-K932 PolarHBondContact O-N 2.97Å; N930-K932 VanDerWaalsContact O-N 3.08Å; N930-D933 CarbonylContact O-C 3.56Å; N930-D933 VanDerWaalsContact O-C 3.28Å; N930-D933 PolarHBondContact O-N 3.11Å; N930-D936 HydrophobicContact CB-CB 4.46Å; N930-L937 HydrophobicContact CB-CB 3.79Å; N930-L937 HydrophobicContact CB-CD1 4.11Å
931	Q	64.4	Low	77.4	Confident	62 Å²	62	50.4 Å²	50.4	29%	0.29	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.4	-180	-59.4	-173.7	-32	0	0	113.8	I927 N999	I927-Q931 WeakPolarHBondContact O-CG 3.29Å; I927-Q931 PolarHBondContact O-N 3.48Å; Q931-N999 WeakPolarHBondContact CB-ND2 3.08Å; Q931-N999 PolarHBondContact NE2-ND2 2.88Å; Q931-N999 PolarHBondContact OE1-ND2 2.85Å
932	K	59.1	Low	77	Confident	206 Å²	206	47.1 Å²	47.1	90%	0.896	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-8.6	-179.8	-63.3	-175.6	179.6	-177.7	0	113.1	N930	N930-K932 PolarHBondContact O-N 2.97Å; N930-K932 VanDerWaalsContact O-N 3.08Å
933	D	67.1	Low	76.7	Confident	65 Å²	65	48 Å²	48	35%	0.348	23%	0.229	S	C	.	.			trans	-129.1	86.3	178.3	-168.2	-29.2	0	0	0	109.4	N930 Q935 D936 L937	N930-D933 CarbonylContact O-C 3.56Å; N930-D933 VanDerWaalsContact O-C 3.28Å; N930-D933 PolarHBondContact O-N 3.11Å; D933-Q935 PolarHBondContact O-N 3.4Å; D933-Q935 VanDerWaalsContact O-N 3.16Å; D933-Q935 PolarHBondContact OD1-N 3.38Å; D933-Q935 VanDerWaalsContact OD1-N 3.1Å; D933-D936 HydrophobicContact CB-CB 3.99Å; D933-D936 PolarHBondContact O-N 2.98Å; D933-D936 PolarHBondContact OD1-N 3.05Å; D933-L937 WeakPolarHBondContact O-CB 3.32Å; D933-L937 PolarHBondContact O-N 3.28Å
934	P	64.6	Low	76.7	Confident	7 Å²	7	47.6 Å²	47.6	5%	0.045	23%	0.227	C	C	.	.	H	α-helix	trans	-54.7	-28.5	178.4	-27.8	34.7	0	0	0	114.1	L938 L985 N986 C989	P934-L938 WeakPolarHBondContact O-CB 3.33Å; P934-L938 PolarHBondContact O-N 3.28Å; P934-L985 HydrophobicContact CB-CB 4.21Å; P934-L985 HydrophobicContact CB-CD2 3.71Å; P934-L985 HydrophobicContact CB-CG 4.07Å; P934-L985 VanDerWaalsContact O-CD2 3.31Å; P934-L985 WeakPolarHBondContact O-CD2 3.28Å; P934-N986 WeakPolarHBondContact CB-OD1 3.48Å; P934-N986 WeakPolarHBondContact CD-OD1 3.18Å; P934-N986 VanDerWaalsContact CG-OD1 3.24Å; P934-N986 WeakPolarHBondContact CG-OD1 3.33Å; P934-C989 HydrophobicContact CB-CB 4.27Å; P934-C989 HydrophobicContact CG-CB 3.57Å
935	Q	66.7	Low	76.5	Confident	73 Å²	73	42.1 Å²	42.1	34%	0.341	20%	0.202	S	C	.	.	H	α-helix	trans	-77.5	-47.2	180	-175.2	56	49.2	0	0	111.2	D933 L937 L938 D939	D933-Q935 PolarHBondContact O-N 3.4Å; D933-Q935 VanDerWaalsContact O-N 3.16Å; D933-Q935 PolarHBondContact OD1-N 3.38Å; D933-Q935 VanDerWaalsContact OD1-N 3.1Å; Q935-L937 PolarHBondContact O-N 3.12Å; Q935-L938 WeakPolarHBondContact O-CB 3.24Å; Q935-L938 PolarHBondContact O-N 3.22Å; Q935-D939 PolarHBondContact NE2-OD1 3.32Å; Q935-D939 PolarHBondContact NE2-OD2 3.27Å; Q935-D939 PolarHBondContact O-N 2.9Å
936	D	70.6	Confident	76.2	Confident	48 Å²	48	41.7 Å²	41.7	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-60.9	-35.8	171.7	-94.2	19.4	0	0	0	111	K903 N930 D933 A940	K903-D936 IonicContact NZ-OD1 3.85Å; K903-D936 IonicContact NZ-OD2 3.86Å; K903-D936 PolarHBondContact NZ-OD2 3.3Å; N930-D936 HydrophobicContact CB-CB 4.46Å; D933-D936 HydrophobicContact CB-CB 3.99Å; D933-D936 PolarHBondContact O-N 2.98Å; D933-D936 PolarHBondContact OD1-N 3.05Å; D936-A940 WeakPolarHBondContact O-CB 3.16Å; D936-A940 PolarHBondContact O-N 2.84Å
937	L	77	Confident	76.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-44.3	172.3	-176.8	63.1	0	0	0	111.4	I926 I927 N930 D933 Q935 D939 L941 V1003 V1006	I926-L937 HydrophobicContact CG2-CD1 3.8Å; I927-L937 HydrophobicContact CG1-CD1 4.32Å; N930-L937 HydrophobicContact CB-CB 3.79Å; N930-L937 HydrophobicContact CB-CD1 4.11Å; D933-L937 WeakPolarHBondContact O-CB 3.32Å; D933-L937 PolarHBondContact O-N 3.28Å; Q935-L937 PolarHBondContact O-N 3.12Å; L937-D939 PolarHBondContact O-N 2.84Å; L937-L941 HydrophobicContact CD1-CD1 3.73Å; L937-L941 HydrophobicContact CD1-CD2 4.47Å; L937-L941 HydrophobicContact CD1-CG 3.87Å; L937-L941 HydrophobicContact CD2-CD1 4.45Å; L937-L941 HydrophobicContact CG-CD1 3.77Å; L937-L941 HydrophobicContact CG-CG 4.26Å; L937-L941 VanDerWaalsContact O-CB 3.27Å; L937-L941 WeakPolarHBondContact O-CB 3.37Å; L937-L941 WeakPolarHBondContact O-CG 3.42Å; L937-L941 PolarHBondContact O-N 3.3Å; L937-V1003 HydrophobicContact CD2-CG2 4.16Å; L937-V1006 HydrophobicContact CD2-CB 4.28Å; L937-V1006 HydrophobicContact CD2-CG1 4.38Å; L937-V1006 HydrophobicContact CD2-CG2 3.9Å; L937-V1006 HydrophobicContact CG-CG1 4.11Å; L937-V1006 HydrophobicContact CG-CG2 4.46Å
938	L	77.7	Confident	76	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-46.1	177.8	-177	72.9	0	0	0	111.4	P934 Q935 S942 L985 V1006 K1009 I1010	P934-L938 WeakPolarHBondContact O-CB 3.33Å; P934-L938 PolarHBondContact O-N 3.28Å; Q935-L938 WeakPolarHBondContact O-CB 3.24Å; Q935-L938 PolarHBondContact O-N 3.22Å; L938-S942 WeakPolarHBondContact O-CB 3.45Å; L938-S942 PolarHBondContact O-N 2.96Å; L938-S942 PolarHBondContact O-OG 3.28Å; L938-L985 HydrophobicContact CB-CD2 4.18Å; L938-V1006 VanDerWaalsContact CA-CG1 3.44Å; L938-V1006 HydrophobicContact CB-CG1 3.82Å; L938-V1006 HydrophobicContact CD1-CG1 3.7Å; L938-V1006 HydrophobicContact CG-CG1 4.4Å; L938-K1009 HydrophobicContact CD1-CB 4.23Å; L938-K1009 HydrophobicContact CD1-CG 4.46Å; L938-I1010 HydrophobicContact CD1-CD1 3.95Å; L938-I1010 HydrophobicContact CD1-CG1 3.35Å; L938-I1010 HydrophobicContact CG-CG1 4.33Å; L938-I1010 WeakPolarHBondContact O-CD1 3.14Å
939	D	75.4	Confident	76.3	Confident	58 Å²	58	40.1 Å²	40.1	31%	0.31	20%	0.202	S	C	.	.	H	α-helix	trans	-70.6	-41	-177.1	-68.2	-30	0	0	0	111.5	Q935 L937 S942 S943	Q935-D939 PolarHBondContact NE2-OD1 3.32Å; Q935-D939 PolarHBondContact NE2-OD2 3.27Å; Q935-D939 PolarHBondContact O-N 2.9Å; L937-D939 PolarHBondContact O-N 2.84Å; D939-S942 WeakPolarHBondContact O-CB 3.35Å; D939-S942 PolarHBondContact O-N 3.2Å; D939-S943 PolarHBondContact O-N 3.42Å; D939-S943 VanDerWaalsContact O-N 3.16Å; D939-S943 PolarHBondContact O-OG 2.92Å
940	A	80.1	Confident	76.6	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67	-43.8	175.8	0	0	0	0	0	112.7	I926 D936 S942 S943 V944	I926-A940 HydrophobicContact CB-CB 4.36Å; I926-A940 HydrophobicContact CD1-CB 4Å; I926-A940 HydrophobicContact CG1-CB 4Å; I926-A940 HydrophobicContact CG2-CB 3.45Å; I926-A940 VanDerWaalsContact CG2-CB 3.45Å; D936-A940 WeakPolarHBondContact O-CB 3.16Å; D936-A940 PolarHBondContact O-N 2.84Å; A940-S942 VanDerWaalsContact C-N 3.34Å; A940-S943 VanDerWaalsContact O-CB 3.3Å; A940-S943 WeakPolarHBondContact O-CB 3.31Å; A940-S943 PolarHBondContact O-N 3.21Å; A940-V944 PolarHBondContact O-N 3.03Å
941	L	84	Confident	77	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.4	-31.7	176.5	-68.7	178.3	0	0	0	112.1	L923 I926 I927 L937 S943 V944 A945 L954 V1006 I1007 I1010	L923-L941 HydrophobicContact CD1-CD2 3.19Å; I926-L941 HydrophobicContact CG2-CD2 3.94Å; I926-L941 HydrophobicContact CG2-CG 4.11Å; I927-L941 HydrophobicContact CG1-CD2 4.18Å; L937-L941 HydrophobicContact CD1-CD1 3.73Å; L937-L941 HydrophobicContact CD1-CD2 4.47Å; L937-L941 HydrophobicContact CD1-CG 3.87Å; L937-L941 HydrophobicContact CD2-CD1 4.45Å; L937-L941 HydrophobicContact CG-CD1 3.77Å; L937-L941 HydrophobicContact CG-CG 4.26Å; L937-L941 VanDerWaalsContact O-CB 3.27Å; L937-L941 WeakPolarHBondContact O-CB 3.37Å; L937-L941 WeakPolarHBondContact O-CG 3.42Å; L937-L941 PolarHBondContact O-N 3.3Å; L941-S943 PolarHBondContact O-N 2.89Å; L941-V944 PolarHBondContact O-N 3.08Å; L941-V944 VanDerWaalsContact O-N 3.17Å; L941-A945 PolarHBondContact O-N 3.29Å; L941-L954 HydrophobicContact CD2-CD2 3.94Å; L941-V1006 HydrophobicContact CD1-CB 4.45Å; L941-V1006 HydrophobicContact CD1-CG1 3.92Å; L941-I1007 HydrophobicContact CD1-CG1 3.74Å; L941-I1010 HydrophobicContact CB-CD1 3.16Å; L941-I1010 HydrophobicContact CD1-CD1 4.18Å; L941-I1010 HydrophobicContact CG-CD1 4.32Å
942	S	81.7	Confident	77.8	Confident	5 Å²	5	34 Å²	34	4%	0.035	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-39.2	172.8	-68.5	0	0	0	0	110.8	L938 D939 A940 V944 A945 L946 Y1016	L938-S942 WeakPolarHBondContact O-CB 3.45Å; L938-S942 PolarHBondContact O-N 2.96Å; L938-S942 PolarHBondContact O-OG 3.28Å; D939-S942 WeakPolarHBondContact O-CB 3.35Å; D939-S942 PolarHBondContact O-N 3.2Å; A940-S942 VanDerWaalsContact C-N 3.34Å; S942-V944 PolarHBondContact O-N 2.96Å; S942-A945 PolarHBondContact O-N 3.28Å; S942-L946 PolarHBondContact O-N 2.92Å; S942-Y1016 WeakPolarHBondContact O-CD1 3.35Å; S942-Y1016 WeakPolarHBondContact O-CE1 3.23Å
943	S	84	Confident	79.1	Confident	18 Å²	18	24.4 Å²	24.4	13%	0.126	13%	0.131	C	C	.	.	H	α-helix	trans	-61.1	-41.6	174.8	-66.9	0	0	0	0	112.8	D939 A940 L941 A945 L946 Y947	D939-S943 PolarHBondContact O-N 3.42Å; D939-S943 VanDerWaalsContact O-N 3.16Å; D939-S943 PolarHBondContact O-OG 2.92Å; A940-S943 VanDerWaalsContact O-CB 3.3Å; A940-S943 WeakPolarHBondContact O-CB 3.31Å; A940-S943 PolarHBondContact O-N 3.21Å; L941-S943 PolarHBondContact O-N 2.89Å; S943-A945 VanDerWaalsContact C-N 3.34Å; S943-A945 PolarHBondContact O-N 2.7Å; S943-L946 WeakPolarHBondContact O-CB 3.35Å; S943-L946 PolarHBondContact O-N 3.42Å; S943-Y947 WeakPolarHBondContact O-CD2 3.38Å; S943-Y947 WeakPolarHBondContact O-CE2 3.4Å
944	V	86.6	Confident	79.8	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-40.6	175.6	178.5	0	0	0	0	111.1	S911 V919 I926 A940 L941 S942 L946 Y947 G950 L954	S911-V944 WeakPolarHBondContact OG-CG2 3.41Å; S911-V944 PolarHBondContact OG-N 3.43Å; V919-V944 HydrophobicContact CG1-CG1 4.34Å; I926-V944 HydrophobicContact CD1-CG2 3.83Å; A940-V944 PolarHBondContact O-N 3.03Å; L941-V944 PolarHBondContact O-N 3.08Å; L941-V944 VanDerWaalsContact O-N 3.17Å; S942-V944 PolarHBondContact O-N 2.96Å; V944-L946 PolarHBondContact O-N 3.34Å; V944-L946 VanDerWaalsContact O-N 3.14Å; V944-Y947 PolarHBondContact O-N 3.41Å; V944-G950 VanDerWaalsContact CG1-CA 3.45Å; V944-G950 WeakPolarHBondContact O-CA 3.21Å; V944-L954 HydrophobicContact CB-CD1 4.15Å; V944-L954 HydrophobicContact CG1-CD1 3.92Å; V944-L954 HydrophobicContact CG1-CD2 4.47Å; V944-L954 HydrophobicContact CG1-CG 3.98Å
945	A	82.3	Confident	80.5	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.7	-10.1	-177.4	0	0	0	0	0	114.6	L941 S942 S943 Y947 Q951 L954 I1010 Y1016	L941-A945 PolarHBondContact O-N 3.29Å; S942-A945 PolarHBondContact O-N 3.28Å; S943-A945 VanDerWaalsContact C-N 3.34Å; S943-A945 PolarHBondContact O-N 2.7Å; A945-Y947 VanDerWaalsContact C-N 3.27Å; A945-Y947 PolarHBondContact O-N 3.16Å; A945-Q951 VanDerWaalsContact O-CG 3.27Å; A945-Q951 WeakPolarHBondContact O-CG 3.49Å; A945-Q951 PolarHBondContact O-NE2 3.18Å; A945-L954 HydrophobicContact CB-CD1 3.52Å; A945-I1010 HydrophobicContact CB-CG2 3.69Å; A945-Y1016 HydrophobicContact CB-CD1 3.7Å; A945-Y1016 HydrophobicContact CB-CG 3.99Å
946	L	79.8	Confident	81.2	Confident	44 Å²	44	19.9 Å²	19.9	23%	0.23	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.8	175.7	-69.5	172.5	0	0	0	113.5	Q908 S942 S943 V944 Y1016	Q908-L946 HydrophobicContact CG-CD1 4.11Å; S942-L946 PolarHBondContact O-N 2.92Å; S943-L946 WeakPolarHBondContact O-CB 3.35Å; S943-L946 PolarHBondContact O-N 3.42Å; V944-L946 PolarHBondContact O-N 3.34Å; V944-L946 VanDerWaalsContact O-N 3.14Å; L946-Y1016 HydrophobicContact CD2-CD1 3.92Å; L946-Y1016 HydrophobicContact CD2-CE1 3.39Å; L946-Y1016 HydrophobicContact CG-CD1 4.27Å; L946-Y1016 HydrophobicContact CG-CE1 3.72Å
947	Y	83.3	Confident	81.6	Confident	45 Å²	45	19.2 Å²	19.2	18%	0.176	10%	0.102	C	C	.	.	S	Bend	trans	-117.2	142.7	-170.5	-55.4	-77.7	0	0	0	112	C875 Q908 S911 C912 S943 V944 A945 I949 G950 Q951	C875-Y947 PolarHBondContact SG-OH 3.17Å; Q908-Y947 HydrophobicContact CG-CE2 4.49Å; Q908-Y947 PolarHBondContact NE2-OH 2.93Å; S911-Y947 WeakPolarHBondContact O-CD2 3.11Å; C912-Y947 HydrophobicContact CB-CE1 4.34Å; C912-Y947 VanDerWaalsContact SG-CE1 3.51Å; C912-Y947 PolarHBondContact SG-OH 3Å; S943-Y947 WeakPolarHBondContact O-CD2 3.38Å; S943-Y947 WeakPolarHBondContact O-CE2 3.4Å; V944-Y947 PolarHBondContact O-N 3.41Å; A945-Y947 VanDerWaalsContact C-N 3.27Å; A945-Y947 PolarHBondContact O-N 3.16Å; Y947-I949 PolarHBondContact O-N 2.83Å; Y947-G950 WeakPolarHBondContact O-CA 3.2Å; Y947-G950 PolarHBondContact O-N 2.68Å; Y947-Q951 WeakPolarHBondContact O-CG 3.36Å; Y947-Q951 PolarHBondContact O-N 2.99Å
948	P	79.8	Confident	81.6	Confident	50 Å²	50	19.2 Å²	19.2	33%	0.325	10%	0.102	S	C	.	.	H	α-helix	trans	-56.6	-40.3	-174.4	-27.7	34.5	0	0	0	115.4	A790 Q951 T952	A790-P948 HydrophobicContact CB-CB 4.4Å; A790-P948 HydrophobicContact CB-CG 3.7Å; P948-Q951 WeakPolarHBondContact O-CB 3.48Å; P948-Q951 PolarHBondContact O-N 3.3Å; P948-T952 PolarHBondContact O-N 2.84Å; P948-T952 VanDerWaalsContact O-N 3.08Å; P948-T952 PolarHBondContact O-OG1 2.83Å
949	I	86.3	Confident	81.5	Confident	45 Å²	45	22.1 Å²	22.1	23%	0.231	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-44.1	176	-68.5	169.1	0	0	0	110.4	R914 M916 V919 Y947 Q951 T952 L953	R914-I949 VanDerWaalsContact O-CD1 3.29Å; R914-I949 WeakPolarHBondContact O-CD1 3.31Å; M916-I949 HydrophobicContact CB-CG2 4.27Å; M916-I949 HydrophobicContact CG-CG2 4.01Å; V919-I949 HydrophobicContact CB-CG2 4.09Å; V919-I949 HydrophobicContact CG1-CG2 4.32Å; V919-I949 HydrophobicContact CG2-CG2 3.99Å; Y947-I949 PolarHBondContact O-N 2.83Å; I949-Q951 VanDerWaalsContact C-N 3.35Å; I949-Q951 PolarHBondContact O-N 2.97Å; I949-T952 WeakPolarHBondContact O-CB 3.48Å; I949-T952 PolarHBondContact O-N 2.78Å; I949-L953 HydrophobicContact CG2-CD1 3.99Å; I949-L953 WeakPolarHBondContact O-CG 3.42Å; I949-L953 PolarHBondContact O-N 2.87Å
950	G	84.8	Confident	81.5	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-40.8	176.4	0	0	0	0	0	112.6	V944 Y947 T952 L953 L954	V944-G950 VanDerWaalsContact CG1-CA 3.45Å; V944-G950 WeakPolarHBondContact O-CA 3.21Å; Y947-G950 WeakPolarHBondContact O-CA 3.2Å; Y947-G950 PolarHBondContact O-N 2.68Å; G950-T952 VanDerWaalsContact C-N 3.33Å; G950-T952 PolarHBondContact O-N 2.68Å; G950-L953 PolarHBondContact O-N 3.08Å; G950-L954 WeakPolarHBondContact O-CB 3.24Å; G950-L954 VanDerWaalsContact O-CG 3.24Å; G950-L954 WeakPolarHBondContact O-CG 3.43Å; G950-L954 PolarHBondContact O-N 2.99Å
951	Q	81.1	Confident	81.1	Confident	8 Å²	8	24.6 Å²	24.6	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-57.7	-44.5	172.4	-71.9	-178.4	4.4	0	0	112.1	A945 Y947 P948 I949 L954 W955 T1017 L1018	A945-Q951 VanDerWaalsContact O-CG 3.27Å; A945-Q951 WeakPolarHBondContact O-CG 3.49Å; A945-Q951 PolarHBondContact O-NE2 3.18Å; Y947-Q951 WeakPolarHBondContact O-CG 3.36Å; Y947-Q951 PolarHBondContact O-N 2.99Å; P948-Q951 WeakPolarHBondContact O-CB 3.48Å; P948-Q951 PolarHBondContact O-N 3.3Å; I949-Q951 VanDerWaalsContact C-N 3.35Å; I949-Q951 PolarHBondContact O-N 2.97Å; Q951-L954 PolarHBondContact O-N 3.47Å; Q951-W955 WeakPolarHBondContact O-CB 3.23Å; Q951-W955 PolarHBondContact O-N 2.75Å; Q951-T1017 PolarHBondContact NE2-O 2.83Å; Q951-T1017 PolarHBondContact OE1-O 2.94Å; Q951-L1018 HydrophobicContact CB-CD2 3.62Å; Q951-L1018 HydrophobicContact CG-CD2 4.14Å; Q951-L1018 WeakPolarHBondContact O-CD2 3.46Å
952	T	81.9	Confident	80.4	Confident	38 Å²	38	25.2 Å²	25.2	23%	0.233	13%	0.126	C	C	.	.	H	α-helix	trans	-60.6	-47.3	177.7	-52.9	0	0	0	0	111.8	P948 I949 G950 W955 E956 I1021	P948-T952 PolarHBondContact O-N 2.84Å; P948-T952 VanDerWaalsContact O-N 3.08Å; P948-T952 PolarHBondContact O-OG1 2.83Å; I949-T952 WeakPolarHBondContact O-CB 3.48Å; I949-T952 PolarHBondContact O-N 2.78Å; G950-T952 VanDerWaalsContact C-N 3.33Å; G950-T952 PolarHBondContact O-N 2.68Å; T952-W955 PolarHBondContact O-N 2.9Å; T952-E956 PolarHBondContact O-N 3.28Å; T952-I1021 VanDerWaalsContact CA-CD1 3.49Å; T952-I1021 HydrophobicContact CG2-CD1 3.7Å; T952-I1021 WeakPolarHBondContact OG1-CD1 3.23Å
953	L	85.5	Confident	79.8	Confident	4 Å²	4	32 Å²	32	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-70	-37.3	-179.3	-68.2	171.6	0	0	0	112.6	M916 V919 R920 L923 I949 G950 W955 E956 H957	M916-L953 HydrophobicContact CG-CD1 4.28Å; M916-L953 HydrophobicContact CG-CD2 4.09Å; M916-L953 HydrophobicContact CG-CG 4.38Å; V919-L953 HydrophobicContact CB-CD1 3.65Å; V919-L953 HydrophobicContact CG1-CD1 3.57Å; R920-L953 HydrophobicContact CB-CD1 4.21Å; R920-L953 HydrophobicContact CB-CD2 4.31Å; L923-L953 HydrophobicContact CD2-CB 4.05Å; I949-L953 HydrophobicContact CG2-CD1 3.99Å; I949-L953 WeakPolarHBondContact O-CG 3.42Å; I949-L953 PolarHBondContact O-N 2.87Å; G950-L953 PolarHBondContact O-N 3.08Å; L953-W955 VanDerWaalsContact C-N 3.34Å; L953-E956 WeakPolarHBondContact O-CB 3.14Å; L953-E956 PolarHBondContact O-N 2.91Å; L953-H957 PolarHBondContact O-N 2.73Å
954	L	82.1	Confident	78.9	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-39.6	173.2	-72.7	170.4	0	0	0	111.3	L923 L941 V944 A945 G950 Q951 H957 I958 I1007	L923-L954 HydrophobicContact CD1-CD2 3.68Å; L923-L954 HydrophobicContact CD2-CD2 4.34Å; L941-L954 HydrophobicContact CD2-CD2 3.94Å; V944-L954 HydrophobicContact CB-CD1 4.15Å; V944-L954 HydrophobicContact CG1-CD1 3.92Å; V944-L954 HydrophobicContact CG1-CD2 4.47Å; V944-L954 HydrophobicContact CG1-CG 3.98Å; A945-L954 HydrophobicContact CB-CD1 3.52Å; G950-L954 WeakPolarHBondContact O-CB 3.24Å; G950-L954 VanDerWaalsContact O-CG 3.24Å; G950-L954 WeakPolarHBondContact O-CG 3.43Å; G950-L954 PolarHBondContact O-N 2.99Å; Q951-L954 PolarHBondContact O-N 3.47Å; L954-H957 PolarHBondContact O-N 2.65Å; L954-I958 WeakPolarHBondContact O-CG1 3.31Å; L954-I958 PolarHBondContact O-N 2.62Å; L954-I1007 HydrophobicContact CD2-CD1 4.37Å; L954-I1007 HydrophobicContact CD2-CG1 4.26Å
955	W	80.3	Confident	77.8	Confident	3 Å²	3	35.3 Å²	35.3	1%	0.011	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-42.2	173.4	-178.3	-117.1	0	0	0	112.3	Q951 T952 L953 H957 I958 R959 L1018 I1021 P1022 E1026 M1030 L1050 F1051	Q951-W955 WeakPolarHBondContact O-CB 3.23Å; Q951-W955 PolarHBondContact O-N 2.75Å; T952-W955 PolarHBondContact O-N 2.9Å; L953-W955 VanDerWaalsContact C-N 3.34Å; W955-H957 VanDerWaalsContact C-N 3.31Å; W955-H957 PolarHBondContact O-N 2.82Å; W955-I958 HydrophobicContact CE3-CB 4.13Å; W955-I958 HydrophobicContact CE3-CD1 3.79Å; W955-I958 HydrophobicContact CE3-CG2 4.14Å; W955-I958 HydrophobicContact CZ3-CB 4.34Å; W955-I958 HydrophobicContact CZ3-CD1 4.21Å; W955-I958 HydrophobicContact CZ3-CG2 3.84Å; W955-I958 WeakPolarHBondContact O-CB 3.43Å; W955-I958 PolarHBondContact O-N 2.79Å; W955-R959 HydrophobicContact CD2-CG 4.36Å; W955-R959 HydrophobicContact CZ2-CG 4.05Å; W955-R959 WeakPolarHBondContact O-CG 3.33Å; W955-R959 PolarHBondContact O-N 2.96Å; W955-L1018 HydrophobicContact CB-CD1 3.91Å; W955-L1018 HydrophobicContact CB-CD2 4.35Å; W955-L1018 HydrophobicContact CD2-CD1 3.86Å; W955-L1018 HydrophobicContact CE3-CD1 3.35Å; W955-L1018 HydrophobicContact CG-CD1 4.1Å; W955-L1018 HydrophobicContact CZ3-CD1 4.16Å; W955-I1021 HydrophobicContact CB-CG2 3.82Å; W955-I1021 HydrophobicContact CD2-CG2 4.19Å; W955-I1021 HydrophobicContact CG-CG2 3.4Å; W955-P1022 HydrophobicContact CD2-CB 4.44Å; W955-P1022 HydrophobicContact CD2-CG 3.84Å; W955-P1022 HydrophobicContact CE3-CG 4.03Å; W955-P1022 HydrophobicContact CH2-CB 4.18Å; W955-P1022 HydrophobicContact CH2-CG 3.33Å; W955-P1022 HydrophobicContact CZ2-CB 3.44Å; W955-P1022 VanDerWaalsContact CZ2-CB 3.44Å; W955-P1022 HydrophobicContact CZ2-CG 3.09Å; W955-P1022 HydrophobicContact CZ3-CG 3.81Å; W955-E1026 HydrophobicContact CZ2-CG 4.39Å; W955-E1026 PolarHBondContact NE1-OE2 3.45Å; W955-M1030 HydrophobicContact CH2-CE 3.89Å; W955-M1030 HydrophobicContact CH2-SD 3.32Å; W955-M1030 WeakPolarHBondContact CH2-SD 3.16Å; W955-M1030 HydrophobicContact CZ2-CE 4.49Å; W955-M1030 HydrophobicContact CZ2-SD 3.49Å; W955-M1030 WeakPolarHBondContact CZ2-SD 3.44Å; W955-M1030 HydrophobicContact CZ3-SD 4.41Å; W955-L1050 HydrophobicContact CZ3-CD2 3.96Å; W955-F1051 HydrophobicContact CH2-CE1 4.46Å
956	E	82	Confident	76.9	Confident	46 Å²	46	37.3 Å²	37.3	22%	0.215	17%	0.173	C	C	.	.	H	α-helix	trans	-55.3	-46.8	171.6	-80.9	176	172.9	0	0	112.3	R920 T952 L953 I958 R959 E960	R920-E956 IonicContact CZ-OE2 2.81Å; R920-E956 IonicContact NH2-OE2 3.68Å; R920-E956 PolarHBondContact NH2-OE2 3.01Å; T952-E956 PolarHBondContact O-N 3.28Å; L953-E956 WeakPolarHBondContact O-CB 3.14Å; L953-E956 PolarHBondContact O-N 2.91Å; E956-I958 VanDerWaalsContact C-N 3.32Å; E956-I958 PolarHBondContact O-N 3.31Å; E956-R959 WeakPolarHBondContact O-CB 3.23Å; E956-R959 PolarHBondContact O-N 3.34Å; E956-R959 VanDerWaalsContact O-N 3.09Å; E956-R959 IonicContact OE1-NH2 3.59Å; E956-E960 WeakPolarHBondContact O-CG 3.37Å; E956-E960 PolarHBondContact O-N 3.36Å
957	H	78.7	Confident	76.2	Confident	34 Å²	34	40.7 Å²	40.7	16%	0.157	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-38.5	178.3	-161.9	82.4	0	0	0	112.5	L953 L954 W955 R959 E960 A961 V1003 I1007	L953-H957 PolarHBondContact O-N 2.73Å; L954-H957 PolarHBondContact O-N 2.65Å; W955-H957 VanDerWaalsContact C-N 3.31Å; W955-H957 PolarHBondContact O-N 2.82Å; H957-R959 VanDerWaalsContact C-N 3.33Å; H957-R959 PolarHBondContact O-N 3.25Å; H957-E960 PolarHBondContact O-N 2.82Å; H957-A961 VanDerWaalsContact O-CB 3.3Å; H957-A961 WeakPolarHBondContact O-CB 3.28Å; H957-A961 PolarHBondContact O-N 3.32Å; H957-V1003 VanDerWaalsContact NE2-CG1 3.34Å; H957-V1003 WeakPolarHBondContact NE2-CG1 3.49Å; H957-I1007 HydrophobicContact CB-CD1 4.18Å; H957-I1007 WeakPolarHBondContact CD2-CD1 3.23Å
958	I	75.4	Confident	74.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-43.9	173.2	-67.3	162.4	0	0	0	110.5	L954 W955 E956 W962 L1004 I1007 L1011 M1030 L1050	L954-I958 WeakPolarHBondContact O-CG1 3.31Å; L954-I958 PolarHBondContact O-N 2.62Å; W955-I958 HydrophobicContact CE3-CB 4.13Å; W955-I958 HydrophobicContact CE3-CD1 3.79Å; W955-I958 HydrophobicContact CE3-CG2 4.14Å; W955-I958 HydrophobicContact CZ3-CB 4.34Å; W955-I958 HydrophobicContact CZ3-CD1 4.21Å; W955-I958 HydrophobicContact CZ3-CG2 3.84Å; W955-I958 WeakPolarHBondContact O-CB 3.43Å; W955-I958 PolarHBondContact O-N 2.79Å; E956-I958 VanDerWaalsContact C-N 3.32Å; E956-I958 PolarHBondContact O-N 3.31Å; I958-W962 WeakPolarHBondContact O-CB 3.42Å; I958-W962 PolarHBondContact O-N 2.96Å; I958-L1004 HydrophobicContact CB-CD1 4.31Å; I958-L1004 HydrophobicContact CG1-CD1 4.14Å; I958-L1004 HydrophobicContact CG2-CD1 4.01Å; I958-I1007 HydrophobicContact CD1-CG2 3.44Å; I958-I1007 VanDerWaalsContact CD1-CG2 3.44Å; I958-I1007 HydrophobicContact CG1-CB 4.34Å; I958-I1007 HydrophobicContact CG1-CG2 3.44Å; I958-I1007 VanDerWaalsContact CG1-CG2 3.44Å; I958-L1011 HydrophobicContact CD1-CD1 3.15Å; I958-L1011 HydrophobicContact CD1-CG 4.34Å; I958-M1030 HydrophobicContact CG2-CE 4.03Å; I958-L1050 HydrophobicContact CD1-CD2 4.43Å
959	R	77.1	Confident	73.5	Confident	64 Å²	64	40.7 Å²	40.7	24%	0.242	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-41.7	178.4	-68.9	-173.1	-61.6	-179.4	-0.5	111.8	W955 E956 H957 W962 R963 E1026	W955-R959 HydrophobicContact CD2-CG 4.36Å; W955-R959 HydrophobicContact CZ2-CG 4.05Å; W955-R959 WeakPolarHBondContact O-CG 3.33Å; W955-R959 PolarHBondContact O-N 2.96Å; E956-R959 WeakPolarHBondContact O-CB 3.23Å; E956-R959 PolarHBondContact O-N 3.34Å; E956-R959 VanDerWaalsContact O-N 3.09Å; E956-R959 IonicContact OE1-NH2 3.59Å; H957-R959 VanDerWaalsContact C-N 3.33Å; H957-R959 PolarHBondContact O-N 3.25Å; R959-W962 PolarHBondContact O-N 2.63Å; R959-R963 WeakPolarHBondContact O-CB 3.42Å; R959-R963 VanDerWaalsContact O-CG 3.24Å; R959-R963 WeakPolarHBondContact O-CG 3.38Å; R959-R963 PolarHBondContact O-N 2.68Å; R959-E1026 WeakPolarHBondContact CD-OE1 3.24Å; R959-E1026 IonicContact CZ-OE1 3.81Å; R959-E1026 IonicContact NE-OE1 3.99Å; R959-E1026 IonicContact NH1-OE1 3.58Å; R959-E1026 PolarHBondContact NH1-OE1 2.71Å
960	E	74.9	Confident	71.6	Confident	107 Å²	107	46.7 Å²	46.7	50%	0.5	22%	0.22	S	C	.	.	H	α-helix	trans	-64.8	-49.1	177.3	-72.5	177	178.2	0	0	111.5	E956 H957 W962 R963 F964	E956-E960 WeakPolarHBondContact O-CG 3.37Å; E956-E960 PolarHBondContact O-N 3.36Å; H957-E960 PolarHBondContact O-N 2.82Å; E960-W962 VanDerWaalsContact C-N 3.32Å; E960-W962 PolarHBondContact O-N 3.17Å; E960-R963 PolarHBondContact O-N 3.19Å; E960-F964 WeakPolarHBondContact O-CB 3.03Å; E960-F964 PolarHBondContact O-N 3.36Å
961	A	71.1	Confident	69.5	Low	4 Å²	4	53.7 Å²	53.7	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-40.5	175.5	0	0	0	0	0	111.6	H957 F964 I965 L1004	H957-A961 VanDerWaalsContact O-CB 3.3Å; H957-A961 WeakPolarHBondContact O-CB 3.28Å; H957-A961 PolarHBondContact O-N 3.32Å; A961-F964 WeakPolarHBondContact O-CB 3.5Å; A961-F964 PolarHBondContact O-N 2.74Å; A961-I965 VanDerWaalsContact O-CG1 3.29Å; A961-I965 WeakPolarHBondContact O-CG1 3.4Å; A961-I965 PolarHBondContact O-N 2.91Å; A961-L1004 HydrophobicContact CB-CB 4.09Å; A961-L1004 HydrophobicContact CB-CD1 4.18Å; A961-L1004 HydrophobicContact CB-CD2 4.29Å; A961-L1004 HydrophobicContact CB-CG 4.41Å
962	W	68.8	Low	67.4	Low	13 Å²	13	56 Å²	56	5%	0.049	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-49.5	175.6	-175.1	-104.7	0	0	0	112	I958 R959 E960 F964 I965 M966 M1030 S1033 L1038 L1047	I958-W962 WeakPolarHBondContact O-CB 3.42Å; I958-W962 PolarHBondContact O-N 2.96Å; R959-W962 PolarHBondContact O-N 2.63Å; E960-W962 VanDerWaalsContact C-N 3.32Å; E960-W962 PolarHBondContact O-N 3.17Å; W962-F964 VanDerWaalsContact C-N 3.27Å; W962-F964 PolarHBondContact O-N 3.36Å; W962-I965 PolarHBondContact O-N 3.12Å; W962-M966 HydrophobicContact CD2-CG 4.32Å; W962-M966 HydrophobicContact CG-CG 4.37Å; W962-M966 HydrophobicContact CZ2-CG 4.35Å; W962-M966 HydrophobicContact CZ2-SD 3.94Å; W962-M966 WeakPolarHBondContact O-CB 3.27Å; W962-M966 WeakPolarHBondContact O-CG 3.43Å; W962-M966 PolarHBondContact O-N 3.07Å; W962-M1030 HydrophobicContact CB-CE 3.84Å; W962-M1030 HydrophobicContact CD2-CE 3.95Å; W962-M1030 HydrophobicContact CG-CE 3.59Å; W962-M1030 VanDerWaalsContact CZ2-O 3.23Å; W962-M1030 WeakPolarHBondContact CZ2-O 3.33Å; W962-S1033 WeakPolarHBondContact CZ2-OG 3.38Å; W962-S1033 PolarHBondContact NE1-OG 2.89Å; W962-L1038 HydrophobicContact CH2-CD1 3.57Å; W962-L1038 HydrophobicContact CH2-CG 4.29Å; W962-L1038 HydrophobicContact CZ3-CD1 3.81Å; W962-L1038 HydrophobicContact CZ3-CD2 4.47Å; W962-L1038 HydrophobicContact CZ3-CG 4.36Å; W962-L1047 HydrophobicContact CE3-CD1 3.88Å; W962-L1047 HydrophobicContact CH2-CD1 3.81Å; W962-L1047 HydrophobicContact CZ3-CD1 3.19Å
963	R	69.2	Low	65.1	Low	147 Å²	147	60.4 Å²	60.4	56%	0.555	31%	0.305	S	S	*	.	H	α-helix	trans	-60.1	-39.3	176.1	-73.8	171.2	-173.2	166.7	3.4	111.5	R959 E960 M966 N967	R959-R963 WeakPolarHBondContact O-CB 3.42Å; R959-R963 VanDerWaalsContact O-CG 3.24Å; R959-R963 WeakPolarHBondContact O-CG 3.38Å; R959-R963 PolarHBondContact O-N 2.68Å; E960-R963 PolarHBondContact O-N 3.19Å; R963-M966 PolarHBondContact O-N 2.72Å; R963-N967 VanDerWaalsContact O-CB 3.3Å; R963-N967 WeakPolarHBondContact O-CB 3.49Å; R963-N967 VanDerWaalsContact O-CG 3.27Å; R963-N967 PolarHBondContact O-N 3.25Å; R963-N967 PolarHBondContact O-ND2 2.97Å
964	F	66.3	Low	62.6	Low	65 Å²	65	68.1 Å²	68.1	29%	0.285	34%	0.34	S	S	.	.	H	α-helix	trans	-60.7	-50.9	176	-177.2	-95.8	0	0	0	111.2	E960 A961 W962 M966 N967 E968 R998 N1000	E960-F964 WeakPolarHBondContact O-CB 3.03Å; E960-F964 PolarHBondContact O-N 3.36Å; A961-F964 WeakPolarHBondContact O-CB 3.5Å; A961-F964 PolarHBondContact O-N 2.74Å; W962-F964 VanDerWaalsContact C-N 3.27Å; W962-F964 PolarHBondContact O-N 3.36Å; F964-M966 VanDerWaalsContact C-N 3.34Å; F964-M966 PolarHBondContact O-N 3.47Å; F964-N967 PolarHBondContact O-N 2.9Å; F964-E968 HydrophobicContact CE1-CG 4.35Å; F964-E968 HydrophobicContact CE2-CG 4.2Å; F964-E968 VanDerWaalsContact CZ-CD 3.43Å; F964-E968 HydrophobicContact CZ-CG 4.06Å; F964-E968 WeakPolarHBondContact CZ-OE1 3.34Å; F964-E968 PolarHBondContact O-N 3.47Å; F964-R998 HydrophobicContact CE1-CG 4.3Å; F964-N1000 HydrophobicContact CD1-CB 4.38Å
965	I	63.5	Low	60.4	Low	23 Å²	23	72 Å²	72	12%	0.118	37%	0.365	C	S	.	.	H	α-helix	trans	-60.1	-43.3	176.5	-67.4	165.8	0	0	0	111.2	A961 W962 N967 G969 E1001 L1004	A961-I965 VanDerWaalsContact O-CG1 3.29Å; A961-I965 WeakPolarHBondContact O-CG1 3.4Å; A961-I965 PolarHBondContact O-N 2.91Å; W962-I965 PolarHBondContact O-N 3.12Å; I965-N967 PolarHBondContact O-N 2.82Å; I965-G969 WeakPolarHBondContact O-CA 3.28Å; I965-G969 PolarHBondContact O-N 3.1Å; I965-E1001 HydrophobicContact CD1-CG 4.41Å; I965-E1001 HydrophobicContact CG1-CG 4.46Å; I965-L1004 HydrophobicContact CD1-CD2 3.28Å
966	M	63.5	Low	58.1	Low	41 Å²	41	77.1 Å²	77.1	20%	0.202	40%	0.397	C	S	.	.	H	α-helix	trans	-66.6	-34.8	179.5	-72.3	-60.1	-51.2	0	0	113.3	W962 R963 F964 S1033 L1037	W962-M966 HydrophobicContact CD2-CG 4.32Å; W962-M966 HydrophobicContact CG-CG 4.37Å; W962-M966 HydrophobicContact CZ2-CG 4.35Å; W962-M966 HydrophobicContact CZ2-SD 3.94Å; W962-M966 WeakPolarHBondContact O-CB 3.27Å; W962-M966 WeakPolarHBondContact O-CG 3.43Å; W962-M966 PolarHBondContact O-N 3.07Å; R963-M966 PolarHBondContact O-N 2.72Å; F964-M966 VanDerWaalsContact C-N 3.34Å; F964-M966 PolarHBondContact O-N 3.47Å; M966-S1033 VanDerWaalsContact CE-O 3.25Å; M966-S1033 WeakPolarHBondContact CE-O 3.31Å; M966-L1037 HydrophobicContact CE-CD1 3.49Å; M966-L1037 VanDerWaalsContact CE-CD1 3.49Å; M966-L1037 HydrophobicContact SD-CD1 3.46Å; M966-L1037 WeakPolarHBondContact SD-CD1 3.4Å
967	N	64.4	Low	55.6	Low	115 Å²	115	79.3 Å²	79.3	62%	0.615	42%	0.423	S	S	*	.	H	α-helix	trans	-77.8	-40.6	178.4	-76.5	-20	0	0	0	112	R963 F964 I965	R963-N967 VanDerWaalsContact O-CB 3.3Å; R963-N967 WeakPolarHBondContact O-CB 3.49Å; R963-N967 VanDerWaalsContact O-CG 3.27Å; R963-N967 PolarHBondContact O-N 3.25Å; R963-N967 PolarHBondContact O-ND2 2.97Å; F964-N967 PolarHBondContact O-N 2.9Å; I965-N967 PolarHBondContact O-N 2.82Å
968	E	56.1	Low	53.4	Low	71 Å²	71	85.2 Å²	85.2	33%	0.332	45%	0.448	S	S	.	.	H	α-helix	trans	-80.7	-27.4	179.6	-66.9	-144.1	162.5	0	0	113.6	F964 K970 N971 A972 R998	F964-E968 HydrophobicContact CE1-CG 4.35Å; F964-E968 HydrophobicContact CE2-CG 4.2Å; F964-E968 VanDerWaalsContact CZ-CD 3.43Å; F964-E968 HydrophobicContact CZ-CG 4.06Å; F964-E968 WeakPolarHBondContact CZ-OE1 3.34Å; F964-E968 PolarHBondContact O-N 3.47Å; E968-K970 PolarHBondContact O-N 2.82Å; E968-N971 PolarHBondContact O-N 3.18Å; E968-A972 PolarHBondContact O-N 3.41Å; E968-R998 IonicContact OE2-CZ 2.71Å; E968-R998 IonicContact OE2-NE 3.37Å; E968-R998 PolarHBondContact OE2-NE 2.97Å; E968-R998 IonicContact OE2-NH1 2.64Å; E968-R998 IonicContact OE2-NH2 3.72Å; E968-R998 PolarHBondContact OE2-NH2 2.87Å
969	G	51.3	Low	51.5	Low	24 Å²	24	86.8 Å²	86.8	25%	0.247	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-17.2	173.8	0	0	0	0	0	113.9	I965 N971 L1037	I965-G969 WeakPolarHBondContact O-CA 3.28Å; I965-G969 PolarHBondContact O-N 3.1Å; G969-N971 VanDerWaalsContact C-N 3.26Å; G969-N971 PolarHBondContact O-N 2.88Å; G969-L1037 VanDerWaalsContact CA-CD2 3.49Å
970	K	45.6	Very low	49.5	Very low	172 Å²	172	85.5 Å²	85.5	75%	0.748	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.7	170.7	-69.8	-175.3	178	177.1	0	114.1	E968	E968-K970 PolarHBondContact O-N 2.82Å
971	N	41.1	Very low	47.7	Very low	148 Å²	148	84.5 Å²	84.5	79%	0.791	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-2.8	-174.9	-73.9	-5	0	0	0	114.8	E968 G969	E968-N971 PolarHBondContact O-N 3.18Å; G969-N971 VanDerWaalsContact C-N 3.26Å; G969-N971 PolarHBondContact O-N 2.88Å
972	A	36.6	Very low	46.4	Very low	57 Å²	57	85.6 Å²	85.6	47%	0.471	48%	0.477	S	S	.	.			trans	-98.3	123.8	-174.4	0	0	0	0	0	112.7	E968	E968-A972 PolarHBondContact O-N 3.41Å
973	T	33.5	Very low	45.5	Very low	130 Å²	130	89.1 Å²	89.1	80%	0.798	50%	0.497	S	S	*	.			trans	-79.5	138.2	170.4	42.8	0	0	0	0	111.9
974	H	34.2	Very low	44.9	Very low	166 Å²	166	84.6 Å²	84.6	77%	0.769	48%	0.483	S	S	*	.			trans	-22.8	119.6	178.3	-63.7	-78.9	0	0	0	119.2	E1039	H974-E1039 IonicContact ND1-OE1 2.66Å
975	P	34.1	Very low	44.5	Very low	81 Å²	81	81.7 Å²	81.7	53%	0.526	47%	0.471	S	S	.	.			trans	-100.1	150.5	160	4.4	16.9	0	0	0	112.9
976	T	32.5	Very low	44.2	Very low	112 Å²	112	82.6 Å²	82.6	69%	0.687	48%	0.476	S	S	*	.			trans	-83.7	148.9	-168.1	49.1	0	0	0	0	115.2	K978	T976-K978 PolarHBondContact O-N 2.85Å
977	A	29.6	Very low	44	Very low	92 Å²	92	83.2 Å²	83.2	76%	0.76	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-64.6	-3.7	-172.5	0	0	0	0	0	117.6	A979 A980	A977-A979 VanDerWaalsContact C-N 3.26Å; A977-A979 PolarHBondContact O-N 3.33Å; A977-A979 VanDerWaalsContact O-N 3.14Å; A977-A980 PolarHBondContact O-N 2.84Å
978	K	32.5	Very low	43.7	Very low	157 Å²	157	78.4 Å²	78.4	68%	0.683	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-70.4	-11	-167.2	-119.7	-171.3	-179	-166.9	0	115	E239 T976	E239-K978 IonicContact OE1-NZ 3.74Å; E239-K978 PolarHBondContact OE1-NZ 3.1Å; E239-K978 IonicContact OE2-NZ 2.73Å; T976-K978 PolarHBondContact O-N 2.85Å
979	A	35	Very low	44.1	Very low	33 Å²	33	75.1 Å²	75.1	27%	0.273	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-109.6	-1.4	-177.1	0	0	0	0	0	114.7	A977 S981 Y991	A977-A979 VanDerWaalsContact C-N 3.26Å; A977-A979 PolarHBondContact O-N 3.33Å; A977-A979 VanDerWaalsContact O-N 3.14Å; A979-S981 PolarHBondContact O-N 2.84Å; A979-Y991 HydrophobicContact CB-CD1 4.05Å; A979-Y991 HydrophobicContact CB-CD2 3.6Å; A979-Y991 HydrophobicContact CB-CE1 4.04Å; A979-Y991 HydrophobicContact CB-CE2 3.55Å; A979-Y991 HydrophobicContact CB-CG 3.84Å
980	A	35.5	Very low	44.6	Very low	38 Å²	38	78.4 Å²	78.4	31%	0.314	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	3.2	-174.7	0	0	0	0	0	114.7	A977 H1041	A977-A980 PolarHBondContact O-N 2.84Å; A980-H1041 HydrophobicContact CB-CB 4.46Å
981	S	38.2	Very low	45.1	Very low	85 Å²	85	73.9 Å²	73.9	59%	0.594	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	0.3	-176.8	61.3	0	0	0	0	114.9	A979	A979-S981 PolarHBondContact O-N 2.84Å
982	S	43.4	Very low	46.2	Very low	28 Å²	28	67.1 Å²	67.1	20%	0.196	39%	0.389	C	S	.	.			trans	-88.2	125	172.1	-179.8	0	0	0	0	109.9	D984 D987 I988	S982-D984 VanDerWaalsContact OG-CB 3.26Å; S982-D984 WeakPolarHBondContact OG-CB 3.39Å; S982-D984 PolarHBondContact OG-N 3.4Å; S982-D984 VanDerWaalsContact OG-N 3.14Å; S982-D987 WeakPolarHBondContact OG-CB 3.37Å; S982-D987 PolarHBondContact OG-OD2 3.3Å; S982-D987 VanDerWaalsContact OG-OD2 3.07Å; S982-I988 WeakPolarHBondContact O-CD1 3.12Å; S982-I988 WeakPolarHBondContact O-CG1 3.38Å
983	D	48.6	Very low	47.3	Very low	87 Å²	87	67.7 Å²	67.7	47%	0.465	38%	0.383	S	S	.	.			trans	-82.5	-5.6	167.7	-90.1	-18	0	0	0	112.5	L985 K1009	D983-L985 PolarHBondContact O-N 3.19Å; D983-K1009 PolarHBondContact O-NZ 2.81Å; D983-K1009 VanDerWaalsContact O-NZ 3.09Å
984	D	56.5	Low	48.2	Very low	51 Å²	51	65.3 Å²	65.3	27%	0.273	38%	0.376	S	S	.	.			trans	-75.5	118.3	-180	-162.4	-28.7	0	0	0	110.1	K274 S982 N986 D987 I988	K274-D984 IonicContact NZ-OD2 3.91Å; K274-D984 PolarHBondContact NZ-OD2 3.3Å; S982-D984 VanDerWaalsContact OG-CB 3.26Å; S982-D984 WeakPolarHBondContact OG-CB 3.39Å; S982-D984 PolarHBondContact OG-N 3.4Å; S982-D984 VanDerWaalsContact OG-N 3.14Å; D984-N986 PolarHBondContact O-N 2.83Å; D984-N986 PolarHBondContact OD1-N 3.48Å; D984-N986 VanDerWaalsContact OD1-N 3.12Å; D984-D987 HydrophobicContact CB-CB 4.23Å; D984-D987 PolarHBondContact O-N 2.81Å; D984-I988 WeakPolarHBondContact O-CG1 3.48Å; D984-I988 PolarHBondContact O-N 3.42Å; D984-I988 VanDerWaalsContact O-N 3.15Å
985	L	59.1	Low	48.9	Very low	5 Å²	5	62.3 Å²	62.3	3%	0.026	37%	0.366	C	S	.	.	H	α-helix	trans	-60.7	-34.5	-177.1	-144.8	79	0	0	0	111.4	P934 L938 D983 C989 T1005 V1006 K1009	P934-L985 HydrophobicContact CB-CB 4.21Å; P934-L985 HydrophobicContact CB-CD2 3.71Å; P934-L985 HydrophobicContact CB-CG 4.07Å; P934-L985 VanDerWaalsContact O-CD2 3.31Å; P934-L985 WeakPolarHBondContact O-CD2 3.28Å; L938-L985 HydrophobicContact CB-CD2 4.18Å; D983-L985 PolarHBondContact O-N 3.19Å; L985-C989 VanDerWaalsContact O-CB 3.22Å; L985-C989 WeakPolarHBondContact O-CB 3.47Å; L985-C989 PolarHBondContact O-N 2.84Å; L985-C989 PolarHBondContact O-SG 3.12Å; L985-T1005 HydrophobicContact CD1-CG2 4.43Å; L985-V1006 HydrophobicContact CD2-CB 4.29Å; L985-V1006 HydrophobicContact CD2-CG1 4.22Å; L985-V1006 HydrophobicContact CD2-CG2 3.53Å; L985-V1006 HydrophobicContact CG-CG2 4.17Å; L985-K1009 HydrophobicContact CD1-CB 4.41Å; L985-K1009 HydrophobicContact CD1-CD 3.32Å; L985-K1009 HydrophobicContact CD1-CG 4.49Å
986	N	57.8	Low	49.7	Very low	41 Å²	41	60.4 Å²	60.4	22%	0.219	36%	0.355	C	S	.	.	H	α-helix	trans	-67.1	-43.6	-178.7	-77.4	-13.9	0	0	0	111.2	P934 D984 K990	P934-N986 WeakPolarHBondContact CB-OD1 3.48Å; P934-N986 WeakPolarHBondContact CD-OD1 3.18Å; P934-N986 VanDerWaalsContact CG-OD1 3.24Å; P934-N986 WeakPolarHBondContact CG-OD1 3.33Å; D984-N986 PolarHBondContact O-N 2.83Å; D984-N986 PolarHBondContact OD1-N 3.48Å; D984-N986 VanDerWaalsContact OD1-N 3.12Å; N986-K990 VanDerWaalsContact O-CB 3.26Å; N986-K990 WeakPolarHBondContact O-CB 3.34Å; N986-K990 VanDerWaalsContact O-CG 3.27Å; N986-K990 WeakPolarHBondContact O-CG 3.46Å; N986-K990 PolarHBondContact O-N 3.3Å
987	D	57.7	Low	50.4	Low	55 Å²	55	58.1 Å²	58.1	29%	0.294	35%	0.354	S	S	.	.	H	α-helix	trans	-65.5	-45.5	178.6	-67.3	-21.2	0	0	0	111.2	S982 D984 C989 Y991	S982-D987 WeakPolarHBondContact OG-CB 3.37Å; S982-D987 PolarHBondContact OG-OD2 3.3Å; S982-D987 VanDerWaalsContact OG-OD2 3.07Å; D984-D987 HydrophobicContact CB-CB 4.23Å; D984-D987 PolarHBondContact O-N 2.81Å; D987-C989 PolarHBondContact O-N 2.92Å; D987-Y991 WeakPolarHBondContact O-CB 3.45Å; D987-Y991 PolarHBondContact O-N 2.97Å
988	I	59.6	Low	51.8	Low	14 Å²	14	56.8 Å²	56.8	7%	0.072	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-49.2	178.4	-60.4	162.7	0	0	0	110.3	S982 D984 Y991 Q992 T1005 V1042	S982-I988 WeakPolarHBondContact O-CD1 3.12Å; S982-I988 WeakPolarHBondContact O-CG1 3.38Å; D984-I988 WeakPolarHBondContact O-CG1 3.48Å; D984-I988 PolarHBondContact O-N 3.42Å; D984-I988 VanDerWaalsContact O-N 3.15Å; I988-Y991 PolarHBondContact O-N 3.3Å; I988-Q992 HydrophobicContact CG2-CG 4.39Å; I988-Q992 WeakPolarHBondContact O-CB 3.42Å; I988-Q992 VanDerWaalsContact O-CG 3.28Å; I988-Q992 WeakPolarHBondContact O-CG 3.39Å; I988-Q992 PolarHBondContact O-N 2.74Å; I988-T1005 HydrophobicContact CG2-CG2 4.04Å; I988-V1042 HydrophobicContact CD1-CB 4.49Å; I988-V1042 HydrophobicContact CD1-CG1 4.18Å; I988-V1042 HydrophobicContact CD1-CG2 4.01Å
989	C	63.8	Low	53.3	Low	1 Å²	1	51.1 Å²	51.1	1%	0.007	31%	0.306	C	S	.	.	H	α-helix	trans	-67	-44.5	-178.4	-81.3	0	0	0	0	112.4	P934 L985 D987 Y991 Q992 I993 C1002	P934-C989 HydrophobicContact CB-CB 4.27Å; P934-C989 HydrophobicContact CG-CB 3.57Å; L985-C989 VanDerWaalsContact O-CB 3.22Å; L985-C989 WeakPolarHBondContact O-CB 3.47Å; L985-C989 PolarHBondContact O-N 2.84Å; L985-C989 PolarHBondContact O-SG 3.12Å; D987-C989 PolarHBondContact O-N 2.92Å; C989-Y991 VanDerWaalsContact C-N 3.29Å; C989-Y991 PolarHBondContact O-N 3.39Å; C989-Q992 PolarHBondContact O-N 2.82Å; C989-I993 WeakPolarHBondContact O-CB 3.49Å; C989-I993 WeakPolarHBondContact O-CD1 3.41Å; C989-I993 WeakPolarHBondContact O-CG1 3.26Å; C989-I993 PolarHBondContact O-N 3.22Å; C989-C1002 HydrophobicContact CB-CB 3.73Å; C989-C1002 WeakPolarHBondContact CB-SG 3.43Å; C989-C1002 VanDerWaalsContact SG-CA 3.56Å; C989-C1002 WeakPolarHBondContact SG-CB 3.45Å; C989-C1002 CovalentContact SG-SG 2.03Å; C989-C1002 PolarHBondContact SG-SG 3.12Å
990	K	61.9	Low	54.8	Low	94 Å²	94	52.5 Å²	52.5	41%	0.409	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-44	175.9	-78.6	-179.9	178.4	-177.9	0	110.6	D271 N986 I993 A994	D271-K990 IonicContact OD1-NZ 3.83Å; D271-K990 PolarHBondContact OD1-NZ 2.83Å; N986-K990 VanDerWaalsContact O-CB 3.26Å; N986-K990 WeakPolarHBondContact O-CB 3.34Å; N986-K990 VanDerWaalsContact O-CG 3.27Å; N986-K990 WeakPolarHBondContact O-CG 3.46Å; N986-K990 PolarHBondContact O-N 3.3Å; K990-I993 PolarHBondContact O-N 3.32Å; K990-A994 VanDerWaalsContact O-CB 3.25Å; K990-A994 WeakPolarHBondContact O-CB 3.42Å; K990-A994 PolarHBondContact O-N 3.25Å
991	Y	56.9	Low	56.4	Low	77 Å²	77	52.4 Å²	52.4	30%	0.302	30%	0.302	S	S	.	.	H	α-helix	trans	-63.8	-47.8	176.9	180	-89.8	0	0	0	112.6	A979 D987 I988 C989 I993 A994 N995	A979-Y991 HydrophobicContact CB-CD1 4.05Å; A979-Y991 HydrophobicContact CB-CD2 3.6Å; A979-Y991 HydrophobicContact CB-CE1 4.04Å; A979-Y991 HydrophobicContact CB-CE2 3.55Å; A979-Y991 HydrophobicContact CB-CG 3.84Å; D987-Y991 WeakPolarHBondContact O-CB 3.45Å; D987-Y991 PolarHBondContact O-N 2.97Å; I988-Y991 PolarHBondContact O-N 3.3Å; C989-Y991 VanDerWaalsContact C-N 3.29Å; C989-Y991 PolarHBondContact O-N 3.39Å; Y991-I993 VanDerWaalsContact C-N 3.31Å; Y991-I993 PolarHBondContact O-N 3.13Å; Y991-A994 PolarHBondContact O-N 2.89Å; Y991-N995 WeakPolarHBondContact CE1-ND2 3.36Å; Y991-N995 WeakPolarHBondContact CE2-ND2 3.36Å; Y991-N995 PolarHBondContact O-N 2.83Å; Y991-N995 PolarHBondContact OH-ND2 2.88Å; Y991-N995 VanDerWaalsContact OH-ND2 3.08Å
992	Q	62.3	Low	57.9	Low	6 Å²	6	48.3 Å²	48.3	3%	0.028	27%	0.274	C	S	.	.	H	α-helix	trans	-58.7	-43.8	178.3	-76.3	168.2	-20.3	0	0	111.3	I988 C989 S996 E1001 T1005 N1040	I988-Q992 HydrophobicContact CG2-CG 4.39Å; I988-Q992 WeakPolarHBondContact O-CB 3.42Å; I988-Q992 VanDerWaalsContact O-CG 3.28Å; I988-Q992 WeakPolarHBondContact O-CG 3.39Å; I988-Q992 PolarHBondContact O-N 2.74Å; C989-Q992 PolarHBondContact O-N 2.82Å; Q992-S996 PolarHBondContact O-N 2.79Å; Q992-S996 PolarHBondContact O-OG 2.91Å; Q992-E1001 HydrophobicContact CB-CB 4.15Å; Q992-E1001 HydrophobicContact CG-CB 4.04Å; Q992-E1001 VanDerWaalsContact OE1-C 3.26Å; Q992-E1001 PolarHBondContact OE1-O 3.45Å; Q992-T1005 PolarHBondContact NE2-OG1 2.91Å; Q992-T1005 PolarHBondContact OE1-OG1 3.04Å; Q992-N1040 PolarHBondContact NE2-ND2 3.11Å
993	I	61.1	Low	59.2	Low	68 Å²	68	47 Å²	47	35%	0.349	27%	0.265	S	S	.	.	H	α-helix	trans	-65.1	-44.9	177	-66.6	165.9	0	0	0	110.8	C989 K990 Y991 G997	C989-I993 WeakPolarHBondContact O-CB 3.49Å; C989-I993 WeakPolarHBondContact O-CD1 3.41Å; C989-I993 WeakPolarHBondContact O-CG1 3.26Å; C989-I993 PolarHBondContact O-N 3.22Å; K990-I993 PolarHBondContact O-N 3.32Å; Y991-I993 VanDerWaalsContact C-N 3.31Å; Y991-I993 PolarHBondContact O-N 3.13Å; I993-G997 VanDerWaalsContact O-CA 3.29Å; I993-G997 WeakPolarHBondContact O-CA 3.46Å; I993-G997 PolarHBondContact O-N 2.85Å
994	A	52.3	Low	60.4	Low	80 Å²	80	43 Å²	43	66%	0.661	24%	0.243	S	C	*	.	H	α-helix	trans	-67.8	-40.6	-176.2	0	0	0	0	0	113.6	K990 Y991	K990-A994 VanDerWaalsContact O-CB 3.25Å; K990-A994 WeakPolarHBondContact O-CB 3.42Å; K990-A994 PolarHBondContact O-N 3.25Å; Y991-A994 PolarHBondContact O-N 2.89Å
995	N	48.4	Very low	61.1	Low	104 Å²	104	40.7 Å²	40.7	56%	0.556	23%	0.231	S	C	*	.	H	α-helix	trans	-89.5	-23.7	-173.4	-82.3	-11.5	0	0	0	114.8	Y991	Y991-N995 WeakPolarHBondContact CE1-ND2 3.36Å; Y991-N995 WeakPolarHBondContact CE2-ND2 3.36Å; Y991-N995 PolarHBondContact O-N 2.83Å; Y991-N995 PolarHBondContact OH-ND2 2.88Å; Y991-N995 VanDerWaalsContact OH-ND2 3.08Å
996	S	51.1	Low	61.7	Low	40 Å²	40	40.4 Å²	40.4	28%	0.28	23%	0.229	S	C	.	.	H	α-helix	trans	-117.9	-16.1	-176.3	73.2	0	0	0	0	113.5	Q992 R998	Q992-S996 PolarHBondContact O-N 2.79Å; Q992-S996 PolarHBondContact O-OG 2.91Å; S996-R998 WeakPolarHBondContact O-CG 3.32Å; S996-R998 PolarHBondContact O-N 2.83Å; S996-R998 WeakPolarHBondContact OG-CB 3.49Å; S996-R998 WeakPolarHBondContact OG-CG 3.33Å; S996-R998 PolarHBondContact OG-N 2.83Å
997	G	47.5	Very low	62.5	Low	65 Å²	65	38.5 Å²	38.5	67%	0.67	22%	0.219	S	C	*	.			trans	65.9	9.6	-166.4	0	0	0	0	0	113.3	I993	I993-G997 VanDerWaalsContact O-CA 3.29Å; I993-G997 WeakPolarHBondContact O-CA 3.46Å; I993-G997 PolarHBondContact O-N 2.85Å
998	R	58.6	Low	63.1	Low	63 Å²	63	36 Å²	36	24%	0.238	21%	0.206	C	C	.	.			trans	-105.4	103.4	-169.3	-58.3	166.5	-178.4	158.7	1.4	112.4	F964 E968 S996 N1000 E1001	F964-R998 HydrophobicContact CE1-CG 4.3Å; E968-R998 IonicContact OE2-CZ 2.71Å; E968-R998 IonicContact OE2-NE 3.37Å; E968-R998 PolarHBondContact OE2-NE 2.97Å; E968-R998 IonicContact OE2-NH1 2.64Å; E968-R998 IonicContact OE2-NH2 3.72Å; E968-R998 PolarHBondContact OE2-NH2 2.87Å; S996-R998 WeakPolarHBondContact O-CG 3.32Å; S996-R998 PolarHBondContact O-N 2.83Å; S996-R998 WeakPolarHBondContact OG-CB 3.49Å; S996-R998 WeakPolarHBondContact OG-CG 3.33Å; S996-R998 PolarHBondContact OG-N 2.83Å; R998-N1000 PolarHBondContact O-N 3.18Å; R998-E1001 IonicContact NH1-OE1 3.7Å
999	N	63.4	Low	63.6	Low	39 Å²	39	38.8 Å²	38.8	21%	0.209	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-28.9	171.7	-141.2	-45.5	0	0	0	113.7	Q931 E1001 C1002 V1003	Q931-N999 WeakPolarHBondContact CB-ND2 3.08Å; Q931-N999 PolarHBondContact NE2-ND2 2.88Å; Q931-N999 PolarHBondContact OE1-ND2 2.85Å; N999-E1001 VanDerWaalsContact C-N 3.31Å; N999-E1001 PolarHBondContact O-N 2.75Å; N999-C1002 PolarHBondContact O-N 2.83Å; N999-V1003 WeakPolarHBondContact O-CG2 3.21Å; N999-V1003 PolarHBondContact O-N 3.02Å; N999-V1003 VanDerWaalsContact O-N 3.13Å
1000	N	66.5	Low	63.8	Low	61 Å²	61	38.8 Å²	38.8	33%	0.326	22%	0.217	S	C	.	.	H	α-helix	trans	-63.8	-31.6	-174.6	-66.5	-16.7	0	0	0	113.5	F964 R998 L1004	F964-N1000 HydrophobicContact CD1-CB 4.38Å; R998-N1000 PolarHBondContact O-N 3.18Å; N1000-L1004 VanDerWaalsContact O-CB 3.25Å; N1000-L1004 WeakPolarHBondContact O-CB 3.31Å; N1000-L1004 PolarHBondContact O-N 3.15Å
1001	E	68.7	Low	64	Low	36 Å²	36	34.3 Å²	34.3	17%	0.168	20%	0.198	C	C	.	.	H	α-helix	trans	-70.2	-39	178.7	-69.7	-177.9	-165.9	0	0	111.6	I965 Q992 R998 N999 L1004 T1005	I965-E1001 HydrophobicContact CD1-CG 4.41Å; I965-E1001 HydrophobicContact CG1-CG 4.46Å; Q992-E1001 HydrophobicContact CB-CB 4.15Å; Q992-E1001 HydrophobicContact CG-CB 4.04Å; Q992-E1001 VanDerWaalsContact OE1-C 3.26Å; Q992-E1001 PolarHBondContact OE1-O 3.45Å; R998-E1001 IonicContact NH1-OE1 3.7Å; N999-E1001 VanDerWaalsContact C-N 3.31Å; N999-E1001 PolarHBondContact O-N 2.75Å; E1001-L1004 PolarHBondContact O-N 2.87Å; E1001-T1005 WeakPolarHBondContact O-CB 3.37Å; E1001-T1005 PolarHBondContact O-N 2.91Å; E1001-T1005 PolarHBondContact O-OG1 2.8Å
1002	C	70	Confident	64.2	Low	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-52.1	174.4	171.5	0	0	0	0	110.6	C989 N999 L1004 T1005 V1006	C989-C1002 HydrophobicContact CB-CB 3.73Å; C989-C1002 WeakPolarHBondContact CB-SG 3.43Å; C989-C1002 VanDerWaalsContact SG-CA 3.56Å; C989-C1002 WeakPolarHBondContact SG-CB 3.45Å; C989-C1002 CovalentContact SG-SG 2.03Å; C989-C1002 PolarHBondContact SG-SG 3.12Å; N999-C1002 PolarHBondContact O-N 2.83Å; C1002-L1004 VanDerWaalsContact C-N 3.28Å; C1002-L1004 PolarHBondContact O-N 3.43Å; C1002-T1005 WeakPolarHBondContact O-CA 3.42Å; C1002-T1005 WeakPolarHBondContact O-CB 3.48Å; C1002-T1005 PolarHBondContact O-N 3.04Å; C1002-V1006 WeakPolarHBondContact O-CG2 3.31Å; C1002-V1006 PolarHBondContact O-N 2.98Å
1003	V	70.4	Confident	64.1	Low	1 Å²	1	36.3 Å²	36.3	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-56.9	-43.8	178.2	178.7	0	0	0	0	110.9	I927 L937 H957 N999 T1005 V1006 I1007	I927-V1003 HydrophobicContact CD1-CG1 4.02Å; I927-V1003 HydrophobicContact CG1-CG1 4.1Å; I927-V1003 HydrophobicContact CG2-CG1 4.32Å; I927-V1003 HydrophobicContact CG2-CG2 3.83Å; L937-V1003 HydrophobicContact CD2-CG2 4.16Å; H957-V1003 VanDerWaalsContact NE2-CG1 3.34Å; H957-V1003 WeakPolarHBondContact NE2-CG1 3.49Å; N999-V1003 WeakPolarHBondContact O-CG2 3.21Å; N999-V1003 PolarHBondContact O-N 3.02Å; N999-V1003 VanDerWaalsContact O-N 3.13Å; V1003-T1005 PolarHBondContact O-N 3.28Å; V1003-V1006 PolarHBondContact O-N 2.81Å; V1003-I1007 HydrophobicContact CG1-CD1 3.76Å; V1003-I1007 HydrophobicContact CG1-CG1 4.36Å; V1003-I1007 WeakPolarHBondContact O-CB 3.24Å; V1003-I1007 VanDerWaalsContact O-CG1 3.24Å; V1003-I1007 WeakPolarHBondContact O-CG1 3.36Å; V1003-I1007 PolarHBondContact O-N 2.85Å
1004	L	74.4	Confident	63.7	Low	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-44.1	174.6	179.3	63	0	0	0	112.1	I958 A961 I965 N1000 E1001 C1002 V1006 I1007 L1008 L1043	I958-L1004 HydrophobicContact CB-CD1 4.31Å; I958-L1004 HydrophobicContact CG1-CD1 4.14Å; I958-L1004 HydrophobicContact CG2-CD1 4.01Å; A961-L1004 HydrophobicContact CB-CB 4.09Å; A961-L1004 HydrophobicContact CB-CD1 4.18Å; A961-L1004 HydrophobicContact CB-CD2 4.29Å; A961-L1004 HydrophobicContact CB-CG 4.41Å; I965-L1004 HydrophobicContact CD1-CD2 3.28Å; N1000-L1004 VanDerWaalsContact O-CB 3.25Å; N1000-L1004 WeakPolarHBondContact O-CB 3.31Å; N1000-L1004 PolarHBondContact O-N 3.15Å; E1001-L1004 PolarHBondContact O-N 2.87Å; C1002-L1004 VanDerWaalsContact C-N 3.28Å; C1002-L1004 PolarHBondContact O-N 3.43Å; L1004-V1006 VanDerWaalsContact C-N 3.32Å; L1004-V1006 PolarHBondContact O-N 3.31Å; L1004-I1007 PolarHBondContact O-N 2.87Å; L1004-L1008 HydrophobicContact CD1-CD1 4.03Å; L1004-L1008 HydrophobicContact CD1-CG 4Å; L1004-L1008 HydrophobicContact CD2-CD1 4.45Å; L1004-L1008 HydrophobicContact CG-CD1 3.85Å; L1004-L1008 HydrophobicContact CG-CG 4.26Å; L1004-L1008 WeakPolarHBondContact O-CB 3.49Å; L1004-L1008 VanDerWaalsContact O-CG 3.24Å; L1004-L1008 WeakPolarHBondContact O-CG 3.32Å; L1004-L1008 PolarHBondContact O-N 3.37Å; L1004-L1043 HydrophobicContact CD2-CD2 4.02Å; L1004-L1043 HydrophobicContact CG-CD2 4Å
1005	T	70.6	Confident	63.7	Low	3 Å²	3	37.6 Å²	37.6	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-45.2	177.6	-57.1	0	0	0	0	110.8	L985 I988 Q992 E1001 C1002 V1003 L1008 K1009 V1042 L1043	L985-T1005 HydrophobicContact CD1-CG2 4.43Å; I988-T1005 HydrophobicContact CG2-CG2 4.04Å; Q992-T1005 PolarHBondContact NE2-OG1 2.91Å; Q992-T1005 PolarHBondContact OE1-OG1 3.04Å; E1001-T1005 WeakPolarHBondContact O-CB 3.37Å; E1001-T1005 PolarHBondContact O-N 2.91Å; E1001-T1005 PolarHBondContact O-OG1 2.8Å; C1002-T1005 WeakPolarHBondContact O-CA 3.42Å; C1002-T1005 WeakPolarHBondContact O-CB 3.48Å; C1002-T1005 PolarHBondContact O-N 3.04Å; V1003-T1005 PolarHBondContact O-N 3.28Å; T1005-L1008 PolarHBondContact O-N 2.94Å; T1005-K1009 WeakPolarHBondContact O-CB 3.38Å; T1005-K1009 PolarHBondContact O-N 3.03Å; T1005-V1042 HydrophobicContact CG2-CG1 4.1Å; T1005-L1043 WeakPolarHBondContact OG1-CD2 3.4Å
1006	V	72.7	Confident	64	Low	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-50.6	176.2	-178.3	0	0	0	0	110.5	L937 L938 L941 L985 C1002 V1003 L1004 L1008 K1009 I1010	L937-V1006 HydrophobicContact CD2-CB 4.28Å; L937-V1006 HydrophobicContact CD2-CG1 4.38Å; L937-V1006 HydrophobicContact CD2-CG2 3.9Å; L937-V1006 HydrophobicContact CG-CG1 4.11Å; L937-V1006 HydrophobicContact CG-CG2 4.46Å; L938-V1006 VanDerWaalsContact CA-CG1 3.44Å; L938-V1006 HydrophobicContact CB-CG1 3.82Å; L938-V1006 HydrophobicContact CD1-CG1 3.7Å; L938-V1006 HydrophobicContact CG-CG1 4.4Å; L941-V1006 HydrophobicContact CD1-CB 4.45Å; L941-V1006 HydrophobicContact CD1-CG1 3.92Å; L985-V1006 HydrophobicContact CD2-CB 4.29Å; L985-V1006 HydrophobicContact CD2-CG1 4.22Å; L985-V1006 HydrophobicContact CD2-CG2 3.53Å; L985-V1006 HydrophobicContact CG-CG2 4.17Å; C1002-V1006 WeakPolarHBondContact O-CG2 3.31Å; C1002-V1006 PolarHBondContact O-N 2.98Å; V1003-V1006 PolarHBondContact O-N 2.81Å; L1004-V1006 VanDerWaalsContact C-N 3.32Å; L1004-V1006 PolarHBondContact O-N 3.31Å; V1006-L1008 VanDerWaalsContact C-N 3.32Å; V1006-L1008 PolarHBondContact O-N 2.75Å; V1006-K1009 PolarHBondContact O-N 2.92Å; V1006-K1009 VanDerWaalsContact O-N 3.11Å; V1006-I1010 HydrophobicContact CG1-CD1 4.09Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.44Å; V1006-I1010 PolarHBondContact O-N 3.41Å
1007	I	74.2	Confident	64.1	Low	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-43.5	178.9	-67	167.5	0	0	0	111.1	L941 L954 H957 I958 V1003 L1004 K1009 I1010 L1011	L941-I1007 HydrophobicContact CD1-CG1 3.74Å; L954-I1007 HydrophobicContact CD2-CD1 4.37Å; L954-I1007 HydrophobicContact CD2-CG1 4.26Å; H957-I1007 HydrophobicContact CB-CD1 4.18Å; H957-I1007 WeakPolarHBondContact CD2-CD1 3.23Å; I958-I1007 HydrophobicContact CD1-CG2 3.44Å; I958-I1007 VanDerWaalsContact CD1-CG2 3.44Å; I958-I1007 HydrophobicContact CG1-CB 4.34Å; I958-I1007 HydrophobicContact CG1-CG2 3.44Å; I958-I1007 VanDerWaalsContact CG1-CG2 3.44Å; V1003-I1007 HydrophobicContact CG1-CD1 3.76Å; V1003-I1007 HydrophobicContact CG1-CG1 4.36Å; V1003-I1007 WeakPolarHBondContact O-CB 3.24Å; V1003-I1007 VanDerWaalsContact O-CG1 3.24Å; V1003-I1007 WeakPolarHBondContact O-CG1 3.36Å; V1003-I1007 PolarHBondContact O-N 2.85Å; L1004-I1007 PolarHBondContact O-N 2.87Å; I1007-K1009 VanDerWaalsContact C-N 3.32Å; I1007-K1009 PolarHBondContact O-N 3.12Å; I1007-I1010 WeakPolarHBondContact O-CB 3.47Å; I1007-I1010 PolarHBondContact O-N 3.48Å; I1007-I1010 VanDerWaalsContact O-N 3.15Å; I1007-L1011 HydrophobicContact CG2-CD1 4.22Å; I1007-L1011 HydrophobicContact CG2-CG 4.26Å; I1007-L1011 WeakPolarHBondContact O-CG 3.41Å; I1007-L1011 PolarHBondContact O-N 2.83Å
1008	L	71.4	Confident	64.5	Low	3 Å²	3	30.2 Å²	30.2	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-36.6	177.2	-71.8	172.1	0	0	0	112	L1004 T1005 V1006 I1010 S1012 L1043 L1047 L1050	L1004-L1008 HydrophobicContact CD1-CD1 4.03Å; L1004-L1008 HydrophobicContact CD1-CG 4Å; L1004-L1008 HydrophobicContact CD2-CD1 4.45Å; L1004-L1008 HydrophobicContact CG-CD1 3.85Å; L1004-L1008 HydrophobicContact CG-CG 4.26Å; L1004-L1008 WeakPolarHBondContact O-CB 3.49Å; L1004-L1008 VanDerWaalsContact O-CG 3.24Å; L1004-L1008 WeakPolarHBondContact O-CG 3.32Å; L1004-L1008 PolarHBondContact O-N 3.37Å; T1005-L1008 PolarHBondContact O-N 2.94Å; V1006-L1008 VanDerWaalsContact C-N 3.32Å; V1006-L1008 PolarHBondContact O-N 2.75Å; L1008-I1010 VanDerWaalsContact C-N 3.31Å; L1008-I1010 PolarHBondContact O-N 2.86Å; L1008-S1012 VanDerWaalsContact O-CB 3.26Å; L1008-S1012 WeakPolarHBondContact O-CB 3.23Å; L1008-S1012 PolarHBondContact O-N 3.43Å; L1008-L1043 HydrophobicContact CD1-CD2 3.54Å; L1008-L1047 HydrophobicContact CD1-CD1 4.39Å; L1008-L1047 HydrophobicContact CD1-CD2 4.28Å; L1008-L1047 HydrophobicContact CD1-CG 3.83Å; L1008-L1047 HydrophobicContact CD2-CD2 3.61Å; L1008-L1047 HydrophobicContact CD2-CG 3.86Å; L1008-L1050 HydrophobicContact CD2-CD2 3.88Å
1009	K	69.5	Low	64.4	Low	73 Å²	73	27.5 Å²	27.5	32%	0.317	13%	0.13	S	C	.	.	H	α-helix	trans	-67.5	-30.6	173.9	-163.9	171.9	-169.9	167	0	112.4	L938 D983 L985 T1005 V1006 I1007 S1012	L938-K1009 HydrophobicContact CD1-CB 4.23Å; L938-K1009 HydrophobicContact CD1-CG 4.46Å; D983-K1009 PolarHBondContact O-NZ 2.81Å; D983-K1009 VanDerWaalsContact O-NZ 3.09Å; L985-K1009 HydrophobicContact CD1-CB 4.41Å; L985-K1009 HydrophobicContact CD1-CD 3.32Å; L985-K1009 HydrophobicContact CD1-CG 4.49Å; T1005-K1009 WeakPolarHBondContact O-CB 3.38Å; T1005-K1009 PolarHBondContact O-N 3.03Å; V1006-K1009 PolarHBondContact O-N 2.92Å; V1006-K1009 VanDerWaalsContact O-N 3.11Å; I1007-K1009 VanDerWaalsContact C-N 3.32Å; I1007-K1009 PolarHBondContact O-N 3.12Å; K1009-S1012 PolarHBondContact O-OG 3.33Å
1010	I	66.9	Low	64	Low	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-70.9	-54.5	174.5	-65.5	164.5	0	0	0	109.6	L938 L941 A945 V1006 I1007 L1008 S1012 K1013 Y1016	L938-I1010 HydrophobicContact CD1-CD1 3.95Å; L938-I1010 HydrophobicContact CD1-CG1 3.35Å; L938-I1010 HydrophobicContact CG-CG1 4.33Å; L938-I1010 WeakPolarHBondContact O-CD1 3.14Å; L941-I1010 HydrophobicContact CB-CD1 3.16Å; L941-I1010 HydrophobicContact CD1-CD1 4.18Å; L941-I1010 HydrophobicContact CG-CD1 4.32Å; A945-I1010 HydrophobicContact CB-CG2 3.69Å; V1006-I1010 HydrophobicContact CG1-CD1 4.09Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.44Å; V1006-I1010 PolarHBondContact O-N 3.41Å; I1007-I1010 WeakPolarHBondContact O-CB 3.47Å; I1007-I1010 PolarHBondContact O-N 3.48Å; I1007-I1010 VanDerWaalsContact O-N 3.15Å; L1008-I1010 VanDerWaalsContact C-N 3.31Å; L1008-I1010 PolarHBondContact O-N 2.86Å; I1010-S1012 PolarHBondContact O-N 3.36Å; I1010-K1013 PolarHBondContact O-N 3.34Å; I1010-Y1016 HydrophobicContact CG2-CD1 4.4Å; I1010-Y1016 HydrophobicContact CG2-CD2 3.65Å; I1010-Y1016 HydrophobicContact CG2-CE2 4.38Å; I1010-Y1016 HydrophobicContact CG2-CG 3.7Å; I1010-Y1016 WeakPolarHBondContact O-CD2 3.08Å
1011	L	67.6	Low	63.7	Low	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.2	-9.9	178.5	-60.1	-171	0	0	0	112.6	I958 I1007 Y1016 L1018 L1050 R1053	I958-L1011 HydrophobicContact CD1-CD1 3.15Å; I958-L1011 HydrophobicContact CD1-CG 4.34Å; I1007-L1011 HydrophobicContact CG2-CD1 4.22Å; I1007-L1011 HydrophobicContact CG2-CG 4.26Å; I1007-L1011 WeakPolarHBondContact O-CG 3.41Å; I1007-L1011 PolarHBondContact O-N 2.83Å; L1011-Y1016 WeakPolarHBondContact CD2-O 3.46Å; L1011-L1018 HydrophobicContact CD1-CD1 3.66Å; L1011-L1018 HydrophobicContact CD1-CD2 4.34Å; L1011-L1018 HydrophobicContact CD1-CG 3.89Å; L1011-L1018 HydrophobicContact CD2-CD2 3.95Å; L1011-L1018 HydrophobicContact CD2-CG 3.93Å; L1011-L1050 HydrophobicContact CB-CD1 3.73Å; L1011-L1050 HydrophobicContact CB-CD2 4.41Å; L1011-L1050 HydrophobicContact CD1-CD1 3.95Å; L1011-L1050 HydrophobicContact CD1-CD2 3.81Å; L1011-L1050 HydrophobicContact CG-CD1 4.5Å; L1011-R1053 PolarHBondContact O-NE 2.85Å; L1011-R1053 PolarHBondContact O-NH2 3.27Å
1012	S	61.5	Low	63.2	Low	38 Å²	38	24.9 Å²	24.9	27%	0.266	12%	0.117	S	C	.	.	H	α-helix	trans	-78	-19.8	168.5	84.4	0	0	0	0	116.4	L1008 K1009 I1010 R1053	L1008-S1012 VanDerWaalsContact O-CB 3.26Å; L1008-S1012 WeakPolarHBondContact O-CB 3.23Å; L1008-S1012 PolarHBondContact O-N 3.43Å; K1009-S1012 PolarHBondContact O-OG 3.33Å; I1010-S1012 PolarHBondContact O-N 3.36Å; S1012-R1053 VanDerWaalsContact CA-CZ 3.41Å; S1012-R1053 PolarHBondContact O-NH1 2.88Å
1013	K	59.8	Low	62.9	Low	86 Å²	86	29.3 Å²	29.3	37%	0.374	14%	0.141	S	C	.	.	S	Bend	trans	-82.6	133.8	173.4	-56.2	175.8	177.6	-177.7	0	110	I1010 H1015 Y1016	I1010-K1013 PolarHBondContact O-N 3.34Å; K1013-H1015 PolarHBondContact O-N 3.42Å; K1013-Y1016 HydrophobicContact CB-CD2 3.82Å; K1013-Y1016 HydrophobicContact CB-CE2 4.21Å; K1013-Y1016 HydrophobicContact CD-CD2 4.23Å; K1013-Y1016 HydrophobicContact CD-CE2 3.94Å; K1013-Y1016 PolarHBondContact O-N 2.91Å; K1013-Y1016 VanDerWaalsContact O-N 3.1Å
1014	R	51.6	Low	62.5	Low	69 Å²	69	34 Å²	34	26%	0.26	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-54.2	-24.9	-173.7	-165.7	174.6	-178.7	167.7	0.1	114.7	I523 T1017	I523-R1014 PolarHBondContact O-NH1 2.99Å; R1014-T1017 PolarHBondContact O-OG1 2.99Å
1015	H	53.8	Low	62	Low	107 Å²	107	41.7 Å²	41.7	50%	0.495	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-83	-21.5	-177.2	-56.8	-65.9	0	0	0	114.3	R787 K1013	R787-H1015 PolarHBondContact NE-O 2.82Å; K1013-H1015 PolarHBondContact O-N 3.42Å
1016	Y	54.7	Low	61.8	Low	44 Å²	44	43.9 Å²	43.9	17%	0.173	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-103.6	14.8	-174.3	-57.7	-59.7	0	0	0	113.1	S942 A945 L946 I1010 L1011 K1013 L1018	S942-Y1016 WeakPolarHBondContact O-CD1 3.35Å; S942-Y1016 WeakPolarHBondContact O-CE1 3.23Å; A945-Y1016 HydrophobicContact CB-CD1 3.7Å; A945-Y1016 HydrophobicContact CB-CG 3.99Å; L946-Y1016 HydrophobicContact CD2-CD1 3.92Å; L946-Y1016 HydrophobicContact CD2-CE1 3.39Å; L946-Y1016 HydrophobicContact CG-CD1 4.27Å; L946-Y1016 HydrophobicContact CG-CE1 3.72Å; I1010-Y1016 HydrophobicContact CG2-CD1 4.4Å; I1010-Y1016 HydrophobicContact CG2-CD2 3.65Å; I1010-Y1016 HydrophobicContact CG2-CE2 4.38Å; I1010-Y1016 HydrophobicContact CG2-CG 3.7Å; I1010-Y1016 WeakPolarHBondContact O-CD2 3.08Å; L1011-Y1016 WeakPolarHBondContact CD2-O 3.46Å; K1013-Y1016 HydrophobicContact CB-CD2 3.82Å; K1013-Y1016 HydrophobicContact CB-CE2 4.21Å; K1013-Y1016 HydrophobicContact CD-CD2 4.23Å; K1013-Y1016 HydrophobicContact CD-CE2 3.94Å; K1013-Y1016 PolarHBondContact O-N 2.91Å; K1013-Y1016 VanDerWaalsContact O-N 3.1Å; Y1016-L1018 PolarHBondContact O-N 2.84Å
1017	T	53.3	Low	61.4	Low	6 Å²	6	43.9 Å²	43.9	4%	0.037	21%	0.209	C	C	.	.			trans	-58.5	137.1	-177.4	44	0	0	0	0	111	Q951 R1014 N1019 R1053 N1057	Q951-T1017 PolarHBondContact NE2-O 2.83Å; Q951-T1017 PolarHBondContact OE1-O 2.94Å; R1014-T1017 PolarHBondContact O-OG1 2.99Å; T1017-N1019 VanDerWaalsContact CB-OD1 3.29Å; T1017-N1019 WeakPolarHBondContact CB-OD1 3.49Å; T1017-N1019 VanDerWaalsContact O-CG 3.26Å; T1017-N1019 PolarHBondContact O-N 2.92Å; T1017-N1019 PolarHBondContact O-OD1 2.89Å; T1017-N1019 VanDerWaalsContact O-OD1 3.13Å; T1017-N1019 PolarHBondContact OG1-OD1 3.47Å; T1017-R1053 HydrophobicContact CG2-CB 4.23Å; T1017-N1057 VanDerWaalsContact CB-ND2 3.26Å; T1017-N1057 WeakPolarHBondContact CB-ND2 3.37Å; T1017-N1057 PolarHBondContact OG1-ND2 2.71Å
1018	L	54.4	Low	61	Low	4 Å²	4	47.7 Å²	47.7	2%	0.021	23%	0.228	C	C	.	.			trans	-70.7	87.2	168.3	-55.1	172.1	0	0	0	106.9	Q951 W955 L1011 Y1016 N1020 I1021	Q951-L1018 HydrophobicContact CB-CD2 3.62Å; Q951-L1018 HydrophobicContact CG-CD2 4.14Å; Q951-L1018 WeakPolarHBondContact O-CD2 3.46Å; W955-L1018 HydrophobicContact CB-CD1 3.91Å; W955-L1018 HydrophobicContact CB-CD2 4.35Å; W955-L1018 HydrophobicContact CD2-CD1 3.86Å; W955-L1018 HydrophobicContact CE3-CD1 3.35Å; W955-L1018 HydrophobicContact CG-CD1 4.1Å; W955-L1018 HydrophobicContact CZ3-CD1 4.16Å; L1011-L1018 HydrophobicContact CD1-CD1 3.66Å; L1011-L1018 HydrophobicContact CD1-CD2 4.34Å; L1011-L1018 HydrophobicContact CD1-CG 3.89Å; L1011-L1018 HydrophobicContact CD2-CD2 3.95Å; L1011-L1018 HydrophobicContact CD2-CG 3.93Å; Y1016-L1018 PolarHBondContact O-N 2.84Å; L1018-N1020 PolarHBondContact O-N 3.48Å; L1018-N1020 VanDerWaalsContact O-N 3.16Å; L1018-I1021 CarbonylContact C-O 3.11Å; L1018-I1021 HydrophobicContact CB-CB 4.47Å; L1018-I1021 WeakPolarHBondContact CB-O 3.42Å
1019	N	56.5	Low	60.9	Low	5 Å²	5	50.2 Å²	50.2	3%	0.027	25%	0.25	C	C	.	.	S	Bend	trans	-69.1	-16.2	-169.5	-67.4	-28.5	0	0	0	113.3	R787 M788 T1017 N1057	R787-N1019 VanDerWaalsContact CB-ND2 3.33Å; R787-N1019 WeakPolarHBondContact CB-ND2 3.37Å; M788-N1019 HydrophobicContact CE-CB 3.32Å; M788-N1019 WeakPolarHBondContact CE-ND2 3.35Å; M788-N1019 WeakPolarHBondContact CE-OD1 3.33Å; M788-N1019 HydrophobicContact SD-CB 4.49Å; T1017-N1019 VanDerWaalsContact CB-OD1 3.29Å; T1017-N1019 WeakPolarHBondContact CB-OD1 3.49Å; T1017-N1019 VanDerWaalsContact O-CG 3.26Å; T1017-N1019 PolarHBondContact O-N 2.92Å; T1017-N1019 PolarHBondContact O-OD1 2.89Å; T1017-N1019 VanDerWaalsContact O-OD1 3.13Å; T1017-N1019 PolarHBondContact OG1-OD1 3.47Å; N1019-N1057 PolarHBondContact OD1-ND2 3.27Å
1020	N	54.8	Low	60.8	Low	44 Å²	44	47.3 Å²	47.3	24%	0.235	24%	0.237	C	C	.	.	S	Bend	trans	-140.9	-0.5	-158.4	-91.5	-23.3	0	0	0	112.2	M788 M791 L1018	M788-N1020 PolarHBondContact O-ND2 2.95Å; M791-N1020 HydrophobicContact CB-CB 4.44Å; M791-N1020 HydrophobicContact CE-CB 3.44Å; M791-N1020 VanDerWaalsContact CE-CB 3.44Å; M791-N1020 WeakPolarHBondContact CE-O 3.28Å; M791-N1020 HydrophobicContact CG-CB 4.01Å; M791-N1020 HydrophobicContact SD-CB 3.63Å; L1018-N1020 PolarHBondContact O-N 3.48Å; L1018-N1020 VanDerWaalsContact O-N 3.16Å
1021	I	60.3	Low	60.8	Low	31 Å²	31	49.8 Å²	49.8	16%	0.159	25%	0.249	C	C	.	.			trans	-147.5	140.2	179.7	-59	176	0	0	0	103.8	T952 W955 L1018	T952-I1021 VanDerWaalsContact CA-CD1 3.49Å; T952-I1021 HydrophobicContact CG2-CD1 3.7Å; T952-I1021 WeakPolarHBondContact OG1-CD1 3.23Å; W955-I1021 HydrophobicContact CB-CG2 3.82Å; W955-I1021 HydrophobicContact CD2-CG2 4.19Å; W955-I1021 HydrophobicContact CG-CG2 3.4Å; L1018-I1021 CarbonylContact C-O 3.11Å; L1018-I1021 HydrophobicContact CB-CB 4.47Å; L1018-I1021 WeakPolarHBondContact CB-O 3.42Å
1022	P	59.8	Low	60.9	Low	6 Å²	6	54.1 Å²	54.1	4%	0.039	27%	0.272	C	S	.	.	S	Bend	cis	-90.5	172.5	-4.8	3.8	20.7	0	0	0	110.2	W955 E1026 V1027 S1054	W955-P1022 HydrophobicContact CD2-CB 4.44Å; W955-P1022 HydrophobicContact CD2-CG 3.84Å; W955-P1022 HydrophobicContact CE3-CG 4.03Å; W955-P1022 HydrophobicContact CH2-CB 4.18Å; W955-P1022 HydrophobicContact CH2-CG 3.33Å; W955-P1022 HydrophobicContact CZ2-CB 3.44Å; W955-P1022 VanDerWaalsContact CZ2-CB 3.44Å; W955-P1022 HydrophobicContact CZ2-CG 3.09Å; W955-P1022 HydrophobicContact CZ3-CG 3.81Å; P1022-E1026 HydrophobicContact CB-CB 4.26Å; P1022-E1026 WeakPolarHBondContact CB-OE2 3.38Å; P1022-V1027 HydrophobicContact CB-CG2 3.97Å; P1022-V1027 HydrophobicContact CG-CG2 3.53Å; P1022-S1054 WeakPolarHBondContact CD-OG 3.26Å
1023	D	62.9	Low	61.1	Low	93 Å²	93	54.3 Å²	54.3	50%	0.497	27%	0.273	S	S	.	.			trans	-66.1	160.7	164.5	70.4	48.3	0	0	0	111	E1025 E1026 V1027	D1023-E1025 PolarHBondContact O-N 3.42Å; D1023-E1025 WeakPolarHBondContact OD1-CA 3.15Å; D1023-E1025 WeakPolarHBondContact OD1-CB 3.44Å; D1023-E1025 PolarHBondContact OD1-N 2.8Å; D1023-E1026 PolarHBondContact O-N 2.82Å; D1023-E1026 WeakPolarHBondContact OD1-CB 3.12Å; D1023-E1026 PolarHBondContact OD1-N 2.81Å; D1023-V1027 WeakPolarHBondContact O-CG2 3.49Å; D1023-V1027 PolarHBondContact O-N 2.81Å
1024	Q	61.9	Low	61.2	Low	101 Å²	101	50.3 Å²	50.3	47%	0.472	26%	0.257	S	S	.	.	H	α-helix	trans	-65	-27.1	-177	-175.7	177	-19.9	0	0	112.6	L1028 K1055 I1058	Q1024-L1028 WeakPolarHBondContact O-CB 3.45Å; Q1024-L1028 PolarHBondContact O-N 2.9Å; Q1024-K1055 HydrophobicContact CG-CG 4.37Å; Q1024-I1058 HydrophobicContact CB-CD1 4.17Å
1025	E	63.3	Low	61.6	Low	161 Å²	161	53.9 Å²	53.9	75%	0.752	28%	0.276	S	S	*	.	H	α-helix	trans	-76.3	-41.1	-178	-66.1	-175.1	178	0	0	111.3	D1023 L1028 A1029	D1023-E1025 PolarHBondContact O-N 3.42Å; D1023-E1025 WeakPolarHBondContact OD1-CA 3.15Å; D1023-E1025 WeakPolarHBondContact OD1-CB 3.44Å; D1023-E1025 PolarHBondContact OD1-N 2.8Å; E1025-L1028 PolarHBondContact O-N 2.81Å; E1025-A1029 WeakPolarHBondContact O-CB 3.28Å; E1025-A1029 PolarHBondContact O-N 3.1Å
1026	E	67	Low	61.7	Low	50 Å²	50	58.4 Å²	58.4	23%	0.234	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-44.8	176.6	-169	177.2	-150.8	0	0	110.3	W955 R959 P1022 D1023 L1028 A1029 M1030	W955-E1026 HydrophobicContact CZ2-CG 4.39Å; W955-E1026 PolarHBondContact NE1-OE2 3.45Å; R959-E1026 WeakPolarHBondContact CD-OE1 3.24Å; R959-E1026 IonicContact CZ-OE1 3.81Å; R959-E1026 IonicContact NE-OE1 3.99Å; R959-E1026 IonicContact NH1-OE1 3.58Å; R959-E1026 PolarHBondContact NH1-OE1 2.71Å; P1022-E1026 HydrophobicContact CB-CB 4.26Å; P1022-E1026 WeakPolarHBondContact CB-OE2 3.38Å; D1023-E1026 PolarHBondContact O-N 2.82Å; D1023-E1026 WeakPolarHBondContact OD1-CB 3.12Å; D1023-E1026 PolarHBondContact OD1-N 2.81Å; E1026-L1028 VanDerWaalsContact C-N 3.3Å; E1026-L1028 PolarHBondContact O-N 2.94Å; E1026-A1029 PolarHBondContact O-N 3.23Å; E1026-M1030 WeakPolarHBondContact O-CG 3.47Å; E1026-M1030 PolarHBondContact O-N 3.03Å
1027	V	65.3	Low	61.5	Low	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-53.5	-48.2	170.9	159.7	0	0	0	0	111.1	P1022 D1023 Q1031 F1051	P1022-V1027 HydrophobicContact CB-CG2 3.97Å; P1022-V1027 HydrophobicContact CG-CG2 3.53Å; D1023-V1027 WeakPolarHBondContact O-CG2 3.49Å; D1023-V1027 PolarHBondContact O-N 2.81Å; V1027-Q1031 WeakPolarHBondContact O-CB 2.86Å; V1027-Q1031 PolarHBondContact O-N 2.64Å; V1027-F1051 HydrophobicContact CB-CD1 3.96Å; V1027-F1051 HydrophobicContact CB-CE1 4.4Å; V1027-F1051 HydrophobicContact CG1-CB 3.48Å; V1027-F1051 VanDerWaalsContact CG1-CB 3.48Å; V1027-F1051 HydrophobicContact CG1-CD1 3.38Å; V1027-F1051 HydrophobicContact CG1-CD2 4.46Å; V1027-F1051 HydrophobicContact CG1-CE1 4.18Å; V1027-F1051 HydrophobicContact CG1-CG 3.53Å; V1027-F1051 HydrophobicContact CG2-CD1 3.91Å; V1027-F1051 HydrophobicContact CG2-CE1 4.38Å
1028	L	65.3	Low	61.4	Low	80 Å²	80	60.2 Å²	60.2	42%	0.419	31%	0.307	S	S	.	.	H	α-helix	trans	-68.2	-39.7	-179.1	-169.8	70.2	0	0	0	111.7	Q1024 E1025 E1026 Q1031 N1032	Q1024-L1028 WeakPolarHBondContact O-CB 3.45Å; Q1024-L1028 PolarHBondContact O-N 2.9Å; E1025-L1028 PolarHBondContact O-N 2.81Å; E1026-L1028 VanDerWaalsContact C-N 3.3Å; E1026-L1028 PolarHBondContact O-N 2.94Å; L1028-Q1031 PolarHBondContact O-N 2.84Å; L1028-N1032 WeakPolarHBondContact O-CB 3.38Å; L1028-N1032 PolarHBondContact O-N 3.24Å; L1028-N1032 PolarHBondContact O-ND2 3.14Å
1029	A	68.3	Low	61.2	Low	56 Å²	56	65.7 Å²	65.7	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-62.9	-44.6	177.4	0	0	0	0	0	111.7	E1025 E1026 N1032 S1033	E1025-A1029 WeakPolarHBondContact O-CB 3.28Å; E1025-A1029 PolarHBondContact O-N 3.1Å; E1026-A1029 PolarHBondContact O-N 3.23Å; A1029-N1032 PolarHBondContact O-N 3.33Å; A1029-S1033 WeakPolarHBondContact O-CB 3.5Å; A1029-S1033 PolarHBondContact O-N 3.41Å; A1029-S1033 PolarHBondContact O-OG 2.88Å
1030	M	67.5	Low	61.1	Low	12 Å²	12	67.5 Å²	67.5	6%	0.059	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-47.9	174.1	-72.2	179.9	66.7	0	0	111.1	W955 I958 W962 E1026 N1032 S1033 G1034 F1051	W955-M1030 HydrophobicContact CH2-CE 3.89Å; W955-M1030 HydrophobicContact CH2-SD 3.32Å; W955-M1030 WeakPolarHBondContact CH2-SD 3.16Å; W955-M1030 HydrophobicContact CZ2-CE 4.49Å; W955-M1030 HydrophobicContact CZ2-SD 3.49Å; W955-M1030 WeakPolarHBondContact CZ2-SD 3.44Å; W955-M1030 HydrophobicContact CZ3-SD 4.41Å; I958-M1030 HydrophobicContact CG2-CE 4.03Å; W962-M1030 HydrophobicContact CB-CE 3.84Å; W962-M1030 HydrophobicContact CD2-CE 3.95Å; W962-M1030 HydrophobicContact CG-CE 3.59Å; W962-M1030 VanDerWaalsContact CZ2-O 3.23Å; W962-M1030 WeakPolarHBondContact CZ2-O 3.33Å; E1026-M1030 WeakPolarHBondContact O-CG 3.47Å; E1026-M1030 PolarHBondContact O-N 3.03Å; M1030-N1032 VanDerWaalsContact C-N 3.33Å; M1030-N1032 PolarHBondContact O-N 3.12Å; M1030-S1033 WeakPolarHBondContact CA-OG 3.41Å; M1030-S1033 PolarHBondContact O-N 2.7Å; M1030-S1033 PolarHBondContact O-OG 2.76Å; M1030-G1034 PolarHBondContact O-N 2.81Å; M1030-F1051 HydrophobicContact CB-CE1 4.19Å; M1030-F1051 HydrophobicContact CB-CZ 3.62Å
1031	Q	66.5	Low	61	Low	52 Å²	52	71.4 Å²	71.4	24%	0.243	36%	0.359	C	S	.	.	H	α-helix	trans	-55.3	-46.7	177.1	-167.9	176.9	5.3	0	0	112.2	V1027 L1028 G1034 Q1035 F1051	V1027-Q1031 WeakPolarHBondContact O-CB 2.86Å; V1027-Q1031 PolarHBondContact O-N 2.64Å; L1028-Q1031 PolarHBondContact O-N 2.84Å; Q1031-G1034 PolarHBondContact O-N 3.08Å; Q1031-Q1035 PolarHBondContact O-N 3.33Å; Q1031-F1051 HydrophobicContact CB-CD2 3.76Å; Q1031-F1051 HydrophobicContact CB-CE2 3.63Å; Q1031-F1051 HydrophobicContact CB-CZ 4.5Å; Q1031-F1051 HydrophobicContact CG-CD2 3.97Å; Q1031-F1051 HydrophobicContact CG-CE2 4.14Å
1032	N	69.7	Low	60.7	Low	91 Å²	91	71.7 Å²	71.7	49%	0.487	36%	0.361	S	S	.	.	H	α-helix	trans	-66.6	-40.2	179.3	-71.2	-17.5	0	0	0	112.2	L1028 A1029 M1030 G1034	L1028-N1032 WeakPolarHBondContact O-CB 3.38Å; L1028-N1032 PolarHBondContact O-N 3.24Å; L1028-N1032 PolarHBondContact O-ND2 3.14Å; A1029-N1032 PolarHBondContact O-N 3.33Å; M1030-N1032 VanDerWaalsContact C-N 3.33Å; M1030-N1032 PolarHBondContact O-N 3.12Å; N1032-G1034 VanDerWaalsContact C-N 3.27Å; N1032-G1034 PolarHBondContact O-N 2.87Å
1033	S	67.5	Low	60.7	Low	42 Å²	42	71.7 Å²	71.7	29%	0.294	36%	0.361	S	S	.	.	H	α-helix	trans	-65.6	-32.3	177.2	70.5	0	0	0	0	112.6	W962 M966 A1029 M1030	W962-S1033 WeakPolarHBondContact CZ2-OG 3.38Å; W962-S1033 PolarHBondContact NE1-OG 2.89Å; M966-S1033 VanDerWaalsContact CE-O 3.25Å; M966-S1033 WeakPolarHBondContact CE-O 3.31Å; A1029-S1033 WeakPolarHBondContact O-CB 3.5Å; A1029-S1033 PolarHBondContact O-N 3.41Å; A1029-S1033 PolarHBondContact O-OG 2.88Å; M1030-S1033 WeakPolarHBondContact CA-OG 3.41Å; M1030-S1033 PolarHBondContact O-N 2.7Å; M1030-S1033 PolarHBondContact O-OG 2.76Å
1034	G	61.9	Low	60.6	Low	3 Å²	3	71.7 Å²	71.7	3%	0.031	36%	0.357	C	S	.	.	H	α-helix	trans	-80.9	-20.3	-173.8	0	0	0	0	0	115.7	M1030 Q1031 N1032 K1036 L1037 L1038	M1030-G1034 PolarHBondContact O-N 2.81Å; Q1031-G1034 PolarHBondContact O-N 3.08Å; N1032-G1034 VanDerWaalsContact C-N 3.27Å; N1032-G1034 PolarHBondContact O-N 2.87Å; G1034-K1036 PolarHBondContact O-N 2.86Å; G1034-L1037 PolarHBondContact O-N 2.92Å; G1034-L1037 VanDerWaalsContact O-N 3.12Å; G1034-L1038 PolarHBondContact O-N 3.38Å
1035	Q	59.4	Low	60.7	Low	143 Å²	143	74.2 Å²	74.2	67%	0.668	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.9	-175.8	-85.5	-175.5	-18.8	0	0	113.4	Q1031	Q1031-Q1035 PolarHBondContact O-N 3.33Å
1036	K	54.6	Low	60.7	Low	202 Å²	202	67 Å²	67	88%	0.878	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-15.8	-177.9	-69.8	-172.3	177.8	-176.3	0	115.5	G1034	G1034-K1036 PolarHBondContact O-N 2.86Å
1037	L	51.2	Low	60.8	Low	63 Å²	63	64.8 Å²	64.8	33%	0.33	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-19.2	-165.3	-86.8	160	0	0	0	115.1	M966 G969 G1034 E1039	M966-L1037 HydrophobicContact CE-CD1 3.49Å; M966-L1037 VanDerWaalsContact CE-CD1 3.49Å; M966-L1037 HydrophobicContact SD-CD1 3.46Å; M966-L1037 WeakPolarHBondContact SD-CD1 3.4Å; G969-L1037 VanDerWaalsContact CA-CD2 3.49Å; G1034-L1037 PolarHBondContact O-N 2.92Å; G1034-L1037 VanDerWaalsContact O-N 3.12Å; L1037-E1039 PolarHBondContact O-N 2.91Å
1038	L	52.3	Low	60.9	Low	26 Å²	26	67.7 Å²	67.7	14%	0.136	34%	0.336	C	S	.	.			trans	-90.8	85.7	-174.7	-75.6	159.9	0	0	0	111.9	W962 G1034 N1040 L1043 K1044 L1047	W962-L1038 HydrophobicContact CH2-CD1 3.57Å; W962-L1038 HydrophobicContact CH2-CG 4.29Å; W962-L1038 HydrophobicContact CZ3-CD1 3.81Å; W962-L1038 HydrophobicContact CZ3-CD2 4.47Å; W962-L1038 HydrophobicContact CZ3-CG 4.36Å; G1034-L1038 PolarHBondContact O-N 3.38Å; L1038-N1040 VanDerWaalsContact C-N 3.26Å; L1038-L1043 HydrophobicContact CD2-CB 3.48Å; L1038-L1043 VanDerWaalsContact CD2-CB 3.48Å; L1038-L1043 HydrophobicContact CD2-CD1 4.15Å; L1038-L1043 HydrophobicContact CD2-CG 4.46Å; L1038-K1044 HydrophobicContact CB-CB 4.12Å; L1038-K1044 HydrophobicContact CB-CG 4.49Å; L1038-K1044 HydrophobicContact CD1-CB 4.37Å; L1038-L1047 HydrophobicContact CD1-CD1 3.74Å
1039	E	49.8	Very low	61	Low	119 Å²	119	66.4 Å²	66.4	56%	0.556	33%	0.33	S	S	*	.			trans	-73.9	-20.6	158.8	-73.8	-176.7	172.9	0	0	111.5	H974 L1037 H1041	H974-E1039 IonicContact ND1-OE1 2.66Å; L1037-E1039 PolarHBondContact O-N 2.91Å; E1039-H1041 PolarHBondContact O-N 2.82Å
1040	N	53.2	Low	61	Low	43 Å²	43	64 Å²	64	23%	0.23	31%	0.309	C	S	.	.			trans	-72	103.5	175.3	-172.8	-41.8	0	0	0	110.8	Q992 L1038 V1042 L1043 K1044	Q992-N1040 PolarHBondContact NE2-ND2 3.11Å; L1038-N1040 VanDerWaalsContact C-N 3.26Å; N1040-V1042 VanDerWaalsContact C-N 3.28Å; N1040-V1042 PolarHBondContact O-N 2.84Å; N1040-V1042 WeakPolarHBondContact OD1-CB 3.32Å; N1040-V1042 PolarHBondContact OD1-N 3.36Å; N1040-L1043 HydrophobicContact CB-CB 4.14Å; N1040-L1043 HydrophobicContact CB-CD1 3.95Å; N1040-L1043 HydrophobicContact CB-CG 4.23Å; N1040-L1043 PolarHBondContact O-N 2.97Å; N1040-L1043 PolarHBondContact OD1-N 2.88Å; N1040-K1044 WeakPolarHBondContact O-CB 3.39Å; N1040-K1044 PolarHBondContact O-N 3.25Å
1041	H	53.7	Low	61.2	Low	126 Å²	126	63.6 Å²	63.6	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-56.9	-37.6	180	-87	-81.7	0	0	0	113.3	A980 E1039 R1045	A980-H1041 HydrophobicContact CB-CB 4.46Å; E1039-H1041 PolarHBondContact O-N 2.82Å; H1041-R1045 WeakPolarHBondContact O-CB 3.39Å; H1041-R1045 PolarHBondContact O-N 3.24Å
1042	V	54.6	Low	61.4	Low	36 Å²	36	66 Å²	66	22%	0.218	32%	0.317	C	S	.	.	H	α-helix	trans	-68.3	-48.9	-179.3	179.4	0	0	0	0	110.8	I988 T1005 N1040 K1044 R1045 G1046	I988-V1042 HydrophobicContact CD1-CB 4.49Å; I988-V1042 HydrophobicContact CD1-CG1 4.18Å; I988-V1042 HydrophobicContact CD1-CG2 4.01Å; T1005-V1042 HydrophobicContact CG2-CG1 4.1Å; N1040-V1042 VanDerWaalsContact C-N 3.28Å; N1040-V1042 PolarHBondContact O-N 2.84Å; N1040-V1042 WeakPolarHBondContact OD1-CB 3.32Å; N1040-V1042 PolarHBondContact OD1-N 3.36Å; V1042-K1044 VanDerWaalsContact C-N 3.33Å; V1042-K1044 PolarHBondContact O-N 3.38Å; V1042-R1045 PolarHBondContact O-N 2.91Å; V1042-G1046 PolarHBondContact O-N 2.87Å
1043	L	58.6	Low	61.4	Low	7 Å²	7	63.7 Å²	63.7	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-44.6	176.4	-73.5	174.8	0	0	0	110.9	L1004 T1005 L1008 L1038 N1040 G1046 L1047	L1004-L1043 HydrophobicContact CD2-CD2 4.02Å; L1004-L1043 HydrophobicContact CG-CD2 4Å; T1005-L1043 WeakPolarHBondContact OG1-CD2 3.4Å; L1008-L1043 HydrophobicContact CD1-CD2 3.54Å; L1038-L1043 HydrophobicContact CD2-CB 3.48Å; L1038-L1043 VanDerWaalsContact CD2-CB 3.48Å; L1038-L1043 HydrophobicContact CD2-CD1 4.15Å; L1038-L1043 HydrophobicContact CD2-CG 4.46Å; N1040-L1043 HydrophobicContact CB-CB 4.14Å; N1040-L1043 HydrophobicContact CB-CD1 3.95Å; N1040-L1043 HydrophobicContact CB-CG 4.23Å; N1040-L1043 PolarHBondContact O-N 2.97Å; N1040-L1043 PolarHBondContact OD1-N 2.88Å; L1043-G1046 PolarHBondContact O-N 2.94Å; L1043-L1047 WeakPolarHBondContact O-CB 3.23Å; L1043-L1047 WeakPolarHBondContact O-CD1 3.27Å; L1043-L1047 WeakPolarHBondContact O-CG 3.33Å; L1043-L1047 PolarHBondContact O-N 2.63Å
1044	K	62	Low	61.4	Low	92 Å²	92	62 Å²	62	40%	0.4	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-45.8	177.4	-171.1	175.6	179.6	176.1	0	112.2	L1038 N1040 V1042 N1048	L1038-K1044 HydrophobicContact CB-CB 4.12Å; L1038-K1044 HydrophobicContact CB-CG 4.49Å; L1038-K1044 HydrophobicContact CD1-CB 4.37Å; N1040-K1044 WeakPolarHBondContact O-CB 3.39Å; N1040-K1044 PolarHBondContact O-N 3.25Å; V1042-K1044 VanDerWaalsContact C-N 3.33Å; V1042-K1044 PolarHBondContact O-N 3.38Å; K1044-N1048 WeakPolarHBondContact O-CB 3.31Å; K1044-N1048 VanDerWaalsContact O-CG 3.25Å; K1044-N1048 PolarHBondContact O-N 3.42Å; K1044-N1048 PolarHBondContact O-ND2 2.91Å
1045	R	63.5	Low	61.8	Low	155 Å²	155	65.1 Å²	65.1	59%	0.585	30%	0.302	S	S	*	.	H	α-helix	trans	-64.1	-50.2	177.4	-176.4	178.7	-178.1	175	2	110.8	H1041 V1042 L1047 N1048 D1049	H1041-R1045 WeakPolarHBondContact O-CB 3.39Å; H1041-R1045 PolarHBondContact O-N 3.24Å; V1042-R1045 PolarHBondContact O-N 2.91Å; R1045-L1047 VanDerWaalsContact C-N 3.33Å; R1045-L1047 PolarHBondContact O-N 3.39Å; R1045-N1048 PolarHBondContact O-N 3.25Å; R1045-D1049 WeakPolarHBondContact O-CB 3.17Å; R1045-D1049 VanDerWaalsContact O-CG 3.24Å; R1045-D1049 PolarHBondContact O-N 2.97Å
1046	G	64	Low	62.2	Low	9 Å²	9	61.3 Å²	61.3	9%	0.093	28%	0.284	C	S	.	.	H	α-helix	trans	-57	-44	178.6	0	0	0	0	0	112.7	V1042 L1043 L1050	V1042-G1046 PolarHBondContact O-N 2.87Å; L1043-G1046 PolarHBondContact O-N 2.94Å; G1046-L1050 VanDerWaalsContact O-CB 3.28Å; G1046-L1050 WeakPolarHBondContact O-CB 3.47Å; G1046-L1050 PolarHBondContact O-N 3.32Å
1047	L	67.7	Low	62.8	Low	3 Å²	3	52.4 Å²	52.4	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-47.7	174.9	-76.9	162.8	0	0	0	112.5	W962 L1008 L1038 L1043 R1045 D1049 L1050 F1051	W962-L1047 HydrophobicContact CE3-CD1 3.88Å; W962-L1047 HydrophobicContact CH2-CD1 3.81Å; W962-L1047 HydrophobicContact CZ3-CD1 3.19Å; L1008-L1047 HydrophobicContact CD1-CD1 4.39Å; L1008-L1047 HydrophobicContact CD1-CD2 4.28Å; L1008-L1047 HydrophobicContact CD1-CG 3.83Å; L1008-L1047 HydrophobicContact CD2-CD2 3.61Å; L1008-L1047 HydrophobicContact CD2-CG 3.86Å; L1038-L1047 HydrophobicContact CD1-CD1 3.74Å; L1043-L1047 WeakPolarHBondContact O-CB 3.23Å; L1043-L1047 WeakPolarHBondContact O-CD1 3.27Å; L1043-L1047 WeakPolarHBondContact O-CG 3.33Å; L1043-L1047 PolarHBondContact O-N 2.63Å; R1045-L1047 VanDerWaalsContact C-N 3.33Å; R1045-L1047 PolarHBondContact O-N 3.39Å; L1047-D1049 VanDerWaalsContact C-N 3.29Å; L1047-D1049 PolarHBondContact O-N 2.9Å; L1047-L1050 WeakPolarHBondContact O-CB 3.15Å; L1047-L1050 PolarHBondContact O-N 3.48Å; L1047-F1051 HydrophobicContact CB-CD2 4.42Å; L1047-F1051 HydrophobicContact CB-CE2 3.94Å; L1047-F1051 HydrophobicContact CB-CZ 4.32Å; L1047-F1051 HydrophobicContact CD2-CE1 4.38Å; L1047-F1051 HydrophobicContact CD2-CE2 4.31Å; L1047-F1051 HydrophobicContact CD2-CZ 3.84Å; L1047-F1051 WeakPolarHBondContact O-CB 3.48Å; L1047-F1051 WeakPolarHBondContact O-CD2 3.22Å; L1047-F1051 WeakPolarHBondContact O-CG 3.24Å; L1047-F1051 PolarHBondContact O-N 3.25Å
1048	N	67.8	Low	63.7	Low	62 Å²	62	51 Å²	51	33%	0.332	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-43.2	177.6	-78.8	-27.9	0	0	0	111.7	K1044 R1045 F1051 K1052	K1044-N1048 WeakPolarHBondContact O-CB 3.31Å; K1044-N1048 VanDerWaalsContact O-CG 3.25Å; K1044-N1048 PolarHBondContact O-N 3.42Å; K1044-N1048 PolarHBondContact O-ND2 2.91Å; R1045-N1048 PolarHBondContact O-N 3.25Å; N1048-F1051 PolarHBondContact O-N 3.24Å; N1048-K1052 VanDerWaalsContact O-CB 3.31Å; N1048-K1052 WeakPolarHBondContact O-CB 3.49Å; N1048-K1052 PolarHBondContact O-N 2.73Å
1049	D	67.3	Low	64.5	Low	53 Å²	53	54.9 Å²	54.9	28%	0.283	25%	0.254	S	S	.	.	H	α-helix	trans	-65.4	-42.1	177.7	-70	-18.9	0	0	0	110.5	R1045 L1047 K1052 R1053	R1045-D1049 WeakPolarHBondContact O-CB 3.17Å; R1045-D1049 VanDerWaalsContact O-CG 3.24Å; R1045-D1049 PolarHBondContact O-N 2.97Å; L1047-D1049 VanDerWaalsContact C-N 3.29Å; L1047-D1049 PolarHBondContact O-N 2.9Å; D1049-K1052 PolarHBondContact O-N 2.84Å; D1049-R1053 WeakPolarHBondContact O-CB 3.3Å; D1049-R1053 WeakPolarHBondContact O-CG 3.19Å; D1049-R1053 PolarHBondContact O-N 3.07Å; D1049-R1053 PolarHBondContact O-NH2 3.16Å; D1049-R1053 VanDerWaalsContact O-NH2 3.11Å
1050	L	69.4	Low	65.6	Low	4 Å²	4	50 Å²	50	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-47.5	176.2	175.4	56.9	0	0	0	111	W955 I958 L1008 L1011 G1046 L1047 R1053 S1054	W955-L1050 HydrophobicContact CZ3-CD2 3.96Å; I958-L1050 HydrophobicContact CD1-CD2 4.43Å; L1008-L1050 HydrophobicContact CD2-CD2 3.88Å; L1011-L1050 HydrophobicContact CB-CD1 3.73Å; L1011-L1050 HydrophobicContact CB-CD2 4.41Å; L1011-L1050 HydrophobicContact CD1-CD1 3.95Å; L1011-L1050 HydrophobicContact CD1-CD2 3.81Å; L1011-L1050 HydrophobicContact CG-CD1 4.5Å; G1046-L1050 VanDerWaalsContact O-CB 3.28Å; G1046-L1050 WeakPolarHBondContact O-CB 3.47Å; G1046-L1050 PolarHBondContact O-N 3.32Å; L1047-L1050 WeakPolarHBondContact O-CB 3.15Å; L1047-L1050 PolarHBondContact O-N 3.48Å; L1050-R1053 PolarHBondContact O-N 3.26Å; L1050-S1054 WeakPolarHBondContact O-CB 3.27Å; L1050-S1054 PolarHBondContact O-N 2.81Å
1051	F	71	Confident	66.4	Low	4 Å²	4	48.2 Å²	48.2	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-41	178.9	-63.5	-28	0	0	0	112.5	W955 V1027 M1030 Q1031 L1047 N1048 K1055	W955-F1051 HydrophobicContact CH2-CE1 4.46Å; V1027-F1051 HydrophobicContact CB-CD1 3.96Å; V1027-F1051 HydrophobicContact CB-CE1 4.4Å; V1027-F1051 HydrophobicContact CG1-CB 3.48Å; V1027-F1051 VanDerWaalsContact CG1-CB 3.48Å; V1027-F1051 HydrophobicContact CG1-CD1 3.38Å; V1027-F1051 HydrophobicContact CG1-CD2 4.46Å; V1027-F1051 HydrophobicContact CG1-CE1 4.18Å; V1027-F1051 HydrophobicContact CG1-CG 3.53Å; V1027-F1051 HydrophobicContact CG2-CD1 3.91Å; V1027-F1051 HydrophobicContact CG2-CE1 4.38Å; M1030-F1051 HydrophobicContact CB-CE1 4.19Å; M1030-F1051 HydrophobicContact CB-CZ 3.62Å; Q1031-F1051 HydrophobicContact CB-CD2 3.76Å; Q1031-F1051 HydrophobicContact CB-CE2 3.63Å; Q1031-F1051 HydrophobicContact CB-CZ 4.5Å; Q1031-F1051 HydrophobicContact CG-CD2 3.97Å; Q1031-F1051 HydrophobicContact CG-CE2 4.14Å; L1047-F1051 HydrophobicContact CB-CD2 4.42Å; L1047-F1051 HydrophobicContact CB-CE2 3.94Å; L1047-F1051 HydrophobicContact CB-CZ 4.32Å; L1047-F1051 HydrophobicContact CD2-CE1 4.38Å; L1047-F1051 HydrophobicContact CD2-CE2 4.31Å; L1047-F1051 HydrophobicContact CD2-CZ 3.84Å; L1047-F1051 WeakPolarHBondContact O-CB 3.48Å; L1047-F1051 WeakPolarHBondContact O-CD2 3.22Å; L1047-F1051 WeakPolarHBondContact O-CG 3.24Å; L1047-F1051 PolarHBondContact O-N 3.25Å; N1048-F1051 PolarHBondContact O-N 3.24Å; F1051-K1055 WeakPolarHBondContact O-CG 3.44Å; F1051-K1055 PolarHBondContact O-N 2.76Å; F1051-K1055 VanDerWaalsContact O-N 3.12Å
1052	K	70.5	Confident	67.2	Low	104 Å²	104	48.8 Å²	48.8	45%	0.452	22%	0.222	S	C	.	.	H	α-helix	trans	-60.8	-49.2	174.6	-176	-177.1	172.6	-170	0	110.8	N1048 D1049 K1055 E1056	N1048-K1052 VanDerWaalsContact O-CB 3.31Å; N1048-K1052 WeakPolarHBondContact O-CB 3.49Å; N1048-K1052 PolarHBondContact O-N 2.73Å; D1049-K1052 PolarHBondContact O-N 2.84Å; K1052-K1055 PolarHBondContact O-N 3.41Å; K1052-E1056 WeakPolarHBondContact CE-OE1 3.34Å; K1052-E1056 WeakPolarHBondContact O-CG 3.47Å; K1052-E1056 PolarHBondContact O-N 2.73Å
1053	R	68.6	Low	68.2	Low	42 Å²	42	50.3 Å²	50.3	16%	0.158	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-41.4	178.7	-78.2	-173.1	-69.2	-80	-25.4	113.1	L1011 S1012 T1017 D1049 L1050 K1055 E1056 N1057	L1011-R1053 PolarHBondContact O-NE 2.85Å; L1011-R1053 PolarHBondContact O-NH2 3.27Å; S1012-R1053 VanDerWaalsContact CA-CZ 3.41Å; S1012-R1053 PolarHBondContact O-NH1 2.88Å; T1017-R1053 HydrophobicContact CG2-CB 4.23Å; D1049-R1053 WeakPolarHBondContact O-CB 3.3Å; D1049-R1053 WeakPolarHBondContact O-CG 3.19Å; D1049-R1053 PolarHBondContact O-N 3.07Å; D1049-R1053 PolarHBondContact O-NH2 3.16Å; D1049-R1053 VanDerWaalsContact O-NH2 3.11Å; L1050-R1053 PolarHBondContact O-N 3.26Å; R1053-K1055 VanDerWaalsContact C-N 3.31Å; R1053-K1055 PolarHBondContact O-N 2.81Å; R1053-E1056 PolarHBondContact O-N 3.16Å; R1053-N1057 WeakPolarHBondContact O-CB 3.47Å; R1053-N1057 PolarHBondContact O-N 2.84Å
1054	S	68.9	Low	69.4	Low	5 Å²	5	50.3 Å²	50.3	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-58.5	-43.9	175.1	171.3	0	0	0	0	111.1	P1022 L1050 N1057 I1058	P1022-S1054 WeakPolarHBondContact CD-OG 3.26Å; L1050-S1054 WeakPolarHBondContact O-CB 3.27Å; L1050-S1054 PolarHBondContact O-N 2.81Å; S1054-N1057 PolarHBondContact O-N 3.46Å; S1054-I1058 VanDerWaalsContact O-CG1 3.26Å; S1054-I1058 WeakPolarHBondContact O-CG1 3.35Å; S1054-I1058 PolarHBondContact O-N 3.41Å
1055	K	69.7	Low	70.4	Confident	70 Å²	70	49.8 Å²	49.8	30%	0.304	23%	0.227	S	C	.	.	H	α-helix	trans	-63.4	-44.7	175	-71.2	171.8	-174.6	172.2	0	112.7	Q1024 F1051 K1052 R1053 N1057 I1058 K1059	Q1024-K1055 HydrophobicContact CG-CG 4.37Å; F1051-K1055 WeakPolarHBondContact O-CG 3.44Å; F1051-K1055 PolarHBondContact O-N 2.76Å; F1051-K1055 VanDerWaalsContact O-N 3.12Å; K1052-K1055 PolarHBondContact O-N 3.41Å; R1053-K1055 VanDerWaalsContact C-N 3.31Å; R1053-K1055 PolarHBondContact O-N 2.81Å; K1055-N1057 VanDerWaalsContact C-N 3.35Å; K1055-I1058 PolarHBondContact O-N 2.87Å; K1055-K1059 WeakPolarHBondContact O-CB 3.29Å; K1055-K1059 PolarHBondContact O-N 2.98Å
1056	E	68.5	Low	71.6	Confident	62 Å²	62	47.2 Å²	47.2	29%	0.29	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-42.5	177	-73.6	170.9	176.1	0	0	111.6	P645 K1052 R1053 K1059 W1060	P645-E1056 HydrophobicContact CG-CG 4.41Å; K1052-E1056 WeakPolarHBondContact CE-OE1 3.34Å; K1052-E1056 WeakPolarHBondContact O-CG 3.47Å; K1052-E1056 PolarHBondContact O-N 2.73Å; R1053-E1056 PolarHBondContact O-N 3.16Å; E1056-K1059 WeakPolarHBondContact O-CB 3.15Å; E1056-K1059 PolarHBondContact O-N 3.32Å; E1056-W1060 PolarHBondContact O-N 3.38Å
1057	N	67.8	Low	72.9	Confident	16 Å²	16	49.8 Å²	49.8	9%	0.086	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-47.1	176.3	-75.3	-13.2	0	0	0	111.9	T1017 N1019 R1053 S1054 K1055 K1059 W1060 T1061	T1017-N1057 VanDerWaalsContact CB-ND2 3.26Å; T1017-N1057 WeakPolarHBondContact CB-ND2 3.37Å; T1017-N1057 PolarHBondContact OG1-ND2 2.71Å; N1019-N1057 PolarHBondContact OD1-ND2 3.27Å; R1053-N1057 WeakPolarHBondContact O-CB 3.47Å; R1053-N1057 PolarHBondContact O-N 2.84Å; S1054-N1057 PolarHBondContact O-N 3.46Å; K1055-N1057 VanDerWaalsContact C-N 3.35Å; N1057-K1059 PolarHBondContact O-N 2.96Å; N1057-W1060 CarbonylContact O-C 2.96Å; N1057-W1060 WeakPolarHBondContact O-CA 3.26Å; N1057-W1060 WeakPolarHBondContact O-CB 3.48Å; N1057-W1060 PolarHBondContact O-N 2.89Å; N1057-T1061 PolarHBondContact O-N 3.29Å; N1057-T1061 PolarHBondContact O-OG1 2.93Å
1058	I	69.4	Low	74.1	Confident	34 Å²	34	49.6 Å²	49.6	17%	0.174	24%	0.235	C	C	.	.	H	α-helix	trans	-56.2	-41.8	175.1	-70.7	165.2	0	0	0	110.5	Q1024 S1054 K1055 T1061 K1062	Q1024-I1058 HydrophobicContact CB-CD1 4.17Å; S1054-I1058 VanDerWaalsContact O-CG1 3.26Å; S1054-I1058 WeakPolarHBondContact O-CG1 3.35Å; S1054-I1058 PolarHBondContact O-N 3.41Å; K1055-I1058 PolarHBondContact O-N 2.87Å; I1058-T1061 PolarHBondContact O-N 2.96Å; I1058-K1062 HydrophobicContact CG2-CD 4.09Å; I1058-K1062 WeakPolarHBondContact O-CB 3.47Å; I1058-K1062 VanDerWaalsContact O-CG 3.28Å; I1058-K1062 WeakPolarHBondContact O-CG 3.48Å; I1058-K1062 PolarHBondContact O-N 3.38Å
1059	K	69.2	Low	75.1	Confident	106 Å²	106	47.2 Å²	47.2	46%	0.461	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-46.4	175.6	-174.3	179.5	177.5	179.6	0	111.1	D647 K1055 E1056 N1057 K1062 T1063	D647-K1059 IonicContact OD1-NZ 2.8Å; D647-K1059 IonicContact OD2-NZ 2.83Å; D647-K1059 PolarHBondContact OD2-NZ 3.5Å; K1055-K1059 WeakPolarHBondContact O-CB 3.29Å; K1055-K1059 PolarHBondContact O-N 2.98Å; E1056-K1059 WeakPolarHBondContact O-CB 3.15Å; E1056-K1059 PolarHBondContact O-N 3.32Å; N1057-K1059 PolarHBondContact O-N 2.96Å; K1059-K1062 PolarHBondContact O-N 3.01Å; K1059-T1063 PolarHBondContact O-N 3.36Å; K1059-T1063 PolarHBondContact O-OG1 2.99Å
1060	W	72.6	Confident	76.3	Confident	16 Å²	16	49 Å²	49	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-48.6	174.9	-179.2	103.7	0	0	0	112	N750 Y756 Y784 M788 E1056 N1057 K1062 T1063 H1064 I1068	N750-W1060 PolarHBondContact O-NE1 2.93Å; N750-W1060 PolarHBondContact OD1-NE1 3.38Å; Y756-W1060 HydrophobicContact CE1-CZ2 4.28Å; Y756-W1060 AromaticContact CE2-CZ2 3.68Å; Y756-W1060 HydrophobicContact CE2-CZ2 3.68Å; Y756-W1060 AromaticContact CE2-NE1 3.88Å; Y756-W1060 AromaticContact CZ-CZ2 3.49Å; Y756-W1060 VanDerWaalsContact CZ-CZ2 3.49Å; Y756-W1060 AromaticContact CZ-NE1 3.98Å; Y756-W1060 VanDerWaalsContact OH-CZ2 3.25Å; Y756-W1060 WeakPolarHBondContact OH-CZ2 3.46Å; Y756-W1060 PolarHBondContact OH-NE1 2.94Å; Y784-W1060 HydrophobicContact CE1-CZ2 4.21Å; M788-W1060 HydrophobicContact CB-CE3 4.39Å; M788-W1060 HydrophobicContact CB-CH2 3.92Å; M788-W1060 HydrophobicContact CB-CZ3 3.56Å; M788-W1060 HydrophobicContact CG-CE3 3.85Å; M788-W1060 HydrophobicContact CG-CH2 3.7Å; M788-W1060 HydrophobicContact CG-CZ2 4.37Å; M788-W1060 HydrophobicContact CG-CZ3 3.39Å; M788-W1060 HydrophobicContact SD-CD2 4.12Å; M788-W1060 HydrophobicContact SD-CE3 3.33Å; M788-W1060 HydrophobicContact SD-CH2 4.32Å; M788-W1060 HydrophobicContact SD-CZ3 3.51Å; M788-W1060 VanDerWaalsContact SD-CZ3 3.51Å; E1056-W1060 PolarHBondContact O-N 3.38Å; N1057-W1060 CarbonylContact O-C 2.96Å; N1057-W1060 WeakPolarHBondContact O-CA 3.26Å; N1057-W1060 WeakPolarHBondContact O-CB 3.48Å; N1057-W1060 PolarHBondContact O-N 2.89Å; W1060-K1062 PolarHBondContact O-N 3.33Å; W1060-T1063 PolarHBondContact O-N 3.42Å; W1060-H1064 AromaticContact CD1-CE1 3.38Å; W1060-H1064 AromaticContact CD1-ND1 3.11Å; W1060-H1064 HydrophobicContact CD2-CB 4.36Å; W1060-H1064 AromaticContact CD2-ND1 3.52Å; W1060-H1064 AromaticContact CE2-CG 3.9Å; W1060-H1064 AromaticContact CE2-ND1 3.3Å; W1060-H1064 VanDerWaalsContact CE2-ND1 3.3Å; W1060-H1064 AromaticContact CG-CE1 3.99Å; W1060-H1064 AromaticContact CG-ND1 3.37Å; W1060-H1064 HydrophobicContact CH2-CB 4.13Å; W1060-H1064 HydrophobicContact CZ2-CB 3.89Å; W1060-H1064 HydrophobicContact CZ3-CB 4.48Å; W1060-H1064 AromaticContact NE1-CE1 3.52Å; W1060-H1064 AromaticContact NE1-CG 3.96Å; W1060-H1064 AromaticContact NE1-ND1 3.08Å; W1060-H1064 PolarHBondContact NE1-ND1 3.46Å; W1060-H1064 PolarHBondContact O-N 2.79Å; W1060-H1064 PolarHBondContact O-ND1 3.29Å; W1060-I1068 HydrophobicContact CH2-CD1 3.88Å; W1060-I1068 HydrophobicContact CZ2-CD1 4.3Å
1061	T	68.9	Low	77.6	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.037	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-28.5	-177.3	-45	0	0	0	0	110.7	N1057 I1058 R1065	N1057-T1061 PolarHBondContact O-N 3.29Å; N1057-T1061 PolarHBondContact O-OG1 2.93Å; I1058-T1061 PolarHBondContact O-N 2.96Å; T1061-R1065 WeakPolarHBondContact O-CB 3.27Å; T1061-R1065 PolarHBondContact O-NE 2.85Å
1062	K	71.3	Confident	78.7	Confident	139 Å²	139	49.1 Å²	49.1	60%	0.604	23%	0.232	S	C	*	.	H	α-helix	trans	-72.8	-37.6	169.5	-75.1	173.3	178.4	178.8	0	112.4	I1058 K1059 W1060	I1058-K1062 HydrophobicContact CG2-CD 4.09Å; I1058-K1062 WeakPolarHBondContact O-CB 3.47Å; I1058-K1062 VanDerWaalsContact O-CG 3.28Å; I1058-K1062 WeakPolarHBondContact O-CG 3.48Å; I1058-K1062 PolarHBondContact O-N 3.38Å; K1059-K1062 PolarHBondContact O-N 3.01Å; W1060-K1062 PolarHBondContact O-N 3.33Å
1063	T	75.6	Confident	79.6	Confident	67 Å²	67	49.2 Å²	49.2	41%	0.411	24%	0.238	S	C	.	.	H	α-helix	trans	-74.2	-39	-176.9	-57.2	0	0	0	0	113.4	A752 K1059 W1060	A752-T1063 HydrophobicContact CB-CG2 4.29Å; K1059-T1063 PolarHBondContact O-N 3.36Å; K1059-T1063 PolarHBondContact O-OG1 2.99Å; W1060-T1063 PolarHBondContact O-N 3.42Å
1064	H	84.4	Confident	80.7	Confident	8 Å²	8	55.4 Å²	55.4	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-112	-21.6	-164.9	-57.9	114.3	0	0	0	115.2	A749 N750 Y756 W1060 D1066 I1067 I1068	A749-H1064 PolarHBondContact O-NE2 3.45Å; N750-H1064 PolarHBondContact O-CE1 2.94Å; Y756-H1064 HydrophobicContact CD2-CB 3.69Å; Y756-H1064 AromaticContact CD2-CD2 3.42Å; Y756-H1064 VanDerWaalsContact CD2-CD2 3.42Å; Y756-H1064 WeakPolarHBondContact CD2-CD2 3.4Å; Y756-H1064 AromaticContact CD2-CG 3.61Å; Y756-H1064 HydrophobicContact CE2-CB 3.78Å; Y756-H1064 AromaticContact CE2-CD2 3.51Å; Y756-H1064 AromaticContact CE2-CG 3.46Å; Y756-H1064 VanDerWaalsContact CE2-CG 3.46Å; Y756-H1064 AromaticContact CE2-ND1 3.9Å; Y756-H1064 AromaticContact CE2-NE2 3.96Å; W1060-H1064 AromaticContact CD1-CE1 3.38Å; W1060-H1064 AromaticContact CD1-ND1 3.11Å; W1060-H1064 HydrophobicContact CD2-CB 4.36Å; W1060-H1064 AromaticContact CD2-ND1 3.52Å; W1060-H1064 AromaticContact CE2-CG 3.9Å; W1060-H1064 AromaticContact CE2-ND1 3.3Å; W1060-H1064 VanDerWaalsContact CE2-ND1 3.3Å; W1060-H1064 AromaticContact CG-CE1 3.99Å; W1060-H1064 AromaticContact CG-ND1 3.37Å; W1060-H1064 HydrophobicContact CH2-CB 4.13Å; W1060-H1064 HydrophobicContact CZ2-CB 3.89Å; W1060-H1064 HydrophobicContact CZ3-CB 4.48Å; W1060-H1064 AromaticContact NE1-CE1 3.52Å; W1060-H1064 AromaticContact NE1-CG 3.96Å; W1060-H1064 AromaticContact NE1-ND1 3.08Å; W1060-H1064 PolarHBondContact NE1-ND1 3.46Å; W1060-H1064 PolarHBondContact O-N 2.79Å; W1060-H1064 PolarHBondContact O-ND1 3.29Å; H1064-D1066 PolarHBondContact O-N 3.38Å; H1064-I1067 PolarHBondContact O-N 2.9Å; H1064-I1068 HydrophobicContact CB-CD1 4.34Å; H1064-I1068 WeakPolarHBondContact O-CG1 3.48Å; H1064-I1068 PolarHBondContact O-N 3.37Å
1065	R	83.1	Confident	81.9	Confident	81 Å²	81	58.1 Å²	58.1	31%	0.306	28%	0.28	S	S	.	.	H	α-helix	trans	-56.3	-46.6	-175.7	177.2	-154.2	-51.6	-131.9	8.8	112.5	D792 T1061 I1067 I1068 S1069	D792-R1065 WeakPolarHBondContact OD1-CD 3.21Å; D792-R1065 IonicContact OD1-CZ 3.77Å; D792-R1065 IonicContact OD1-NE 3.53Å; D792-R1065 IonicContact OD1-NH1 2.72Å; D792-R1065 PolarHBondContact OD1-NH1 3.25Å; T1061-R1065 WeakPolarHBondContact O-CB 3.27Å; T1061-R1065 PolarHBondContact O-NE 2.85Å; R1065-I1067 VanDerWaalsContact C-N 3.3Å; R1065-I1067 PolarHBondContact O-N 3.17Å; R1065-I1068 PolarHBondContact O-N 3.39Å; R1065-S1069 VanDerWaalsContact O-CB 3.27Å; R1065-S1069 WeakPolarHBondContact O-CB 3.34Å; R1065-S1069 PolarHBondContact O-N 2.93Å; R1065-S1069 PolarHBondContact O-OG 3Å
1066	D	87.4	Confident	82.8	Confident	101 Å²	101	55.6 Å²	55.6	54%	0.54	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-37.6	-177.4	-66.3	-7.3	0	0	0	111.4	H1064 N1070	H1064-D1066 PolarHBondContact O-N 3.38Å; D1066-N1070 WeakPolarHBondContact O-CB 3.43Å; D1066-N1070 PolarHBondContact O-N 3.02Å; D1066-N1070 PolarHBondContact O-ND2 3.49Å
1067	I	91.7	Very high	82.5	Confident	62 Å²	62	58.6 Å²	58.6	32%	0.318	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-49.6	176.7	-64	169.9	0	0	0	109.9	S755 D757 H1064 R1065 W1071	S755-I1067 WeakPolarHBondContact OG-CG2 3.29Å; D757-I1067 HydrophobicContact CB-CG2 4.45Å; H1064-I1067 PolarHBondContact O-N 2.9Å; R1065-I1067 VanDerWaalsContact C-N 3.3Å; R1065-I1067 PolarHBondContact O-N 3.17Å; I1067-W1071 WeakPolarHBondContact O-CB 3.19Å; I1067-W1071 PolarHBondContact O-N 3.37Å
1068	I	92.8	Very high	82.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-46.1	-179.9	-64.1	168	0	0	0	110.4	Y756 L760 L789 W1060 H1064 R1065 W1071 L1072	Y756-I1068 HydrophobicContact CD1-CD1 3.9Å; Y756-I1068 HydrophobicContact CD1-CG1 4.12Å; Y756-I1068 HydrophobicContact CD2-CD1 4.32Å; Y756-I1068 HydrophobicContact CE1-CD1 4.3Å; Y756-I1068 HydrophobicContact CG-CD1 3.91Å; Y756-I1068 HydrophobicContact CG-CG1 3.87Å; L760-I1068 HydrophobicContact CD1-CB 4.45Å; L760-I1068 HydrophobicContact CD1-CG1 4.28Å; L760-I1068 HydrophobicContact CD1-CG2 4.1Å; L789-I1068 HydrophobicContact CD1-CG2 3.95Å; W1060-I1068 HydrophobicContact CH2-CD1 3.88Å; W1060-I1068 HydrophobicContact CZ2-CD1 4.3Å; H1064-I1068 HydrophobicContact CB-CD1 4.34Å; H1064-I1068 WeakPolarHBondContact O-CG1 3.48Å; H1064-I1068 PolarHBondContact O-N 3.37Å; R1065-I1068 PolarHBondContact O-N 3.39Å; I1068-W1071 WeakPolarHBondContact O-CB 3.15Å; I1068-W1071 PolarHBondContact O-N 2.88Å; I1068-L1072 HydrophobicContact CG2-CD1 3.84Å; I1068-L1072 HydrophobicContact CG2-CG 4.33Å; I1068-L1072 VanDerWaalsContact O-CG 3.29Å; I1068-L1072 WeakPolarHBondContact O-CG 3.27Å; I1068-L1072 PolarHBondContact O-N 3.35Å
1069	S	90.1	Very high	81.4	Confident	12 Å²	12	65.9 Å²	65.9	8%	0.084	34%	0.338	C	S	.	.	H	α-helix	trans	-63	-46	179.9	-57.1	0	0	0	0	111.7	S794 R1065 W1071 L1072 N1073	S794-S1069 WeakPolarHBondContact CB-OG 2.85Å; S794-S1069 PolarHBondContact OG-OG 3.39Å; R1065-S1069 VanDerWaalsContact O-CB 3.27Å; R1065-S1069 WeakPolarHBondContact O-CB 3.34Å; R1065-S1069 PolarHBondContact O-N 2.93Å; R1065-S1069 PolarHBondContact O-OG 3Å; S1069-W1071 VanDerWaalsContact C-N 3.29Å; S1069-W1071 PolarHBondContact O-N 2.93Å; S1069-L1072 PolarHBondContact O-N 3.29Å; S1069-N1073 WeakPolarHBondContact O-CB 3.23Å; S1069-N1073 VanDerWaalsContact O-CG 3.22Å; S1069-N1073 PolarHBondContact O-N 2.95Å; S1069-N1073 PolarHBondContact O-ND2 3.41Å
1070	N	92.5	Very high	80.3	Confident	89 Å²	89	66.2 Å²	66.2	48%	0.476	35%	0.349	S	S	.	.	H	α-helix	trans	-62.6	-38.1	175.4	-76.6	-38.7	0	0	0	112.1	D1066 K1074	D1066-N1070 WeakPolarHBondContact O-CB 3.43Å; D1066-N1070 PolarHBondContact O-N 3.02Å; D1066-N1070 PolarHBondContact O-ND2 3.49Å; N1070-K1074 VanDerWaalsContact O-CG 3.28Å; N1070-K1074 WeakPolarHBondContact O-CG 3.48Å; N1070-K1074 PolarHBondContact O-N 3.08Å; N1070-K1074 VanDerWaalsContact O-N 3.17Å
1071	W	95.4	Very high	79	Confident	11 Å²	11	71.8 Å²	71.8	4%	0.042	38%	0.378	C	S	.	.	H	α-helix	trans	-65.4	-45.7	175	-174	92.6	0	0	0	111.4	D757 L760 N761 K764 Y801 I1067 I1068 S1069 N1073 K1074 N1075	D757-W1071 HydrophobicContact CB-CB 4.49Å; D757-W1071 VanDerWaalsContact CB-CD1 3.48Å; D757-W1071 HydrophobicContact CB-CG 4.24Å; L760-W1071 VanDerWaalsContact C-CZ2 3.46Å; L760-W1071 HydrophobicContact CB-CD2 3.68Å; L760-W1071 VanDerWaalsContact CB-CE2 3.48Å; L760-W1071 HydrophobicContact CB-CE3 3.89Å; L760-W1071 HydrophobicContact CB-CG 4.33Å; L760-W1071 HydrophobicContact CB-CH2 3.76Å; L760-W1071 HydrophobicContact CB-CZ2 3.5Å; L760-W1071 HydrophobicContact CB-CZ3 3.94Å; L760-W1071 HydrophobicContact CD1-CB 4.21Å; L760-W1071 HydrophobicContact CD1-CD2 3.74Å; L760-W1071 HydrophobicContact CD1-CE3 3.64Å; L760-W1071 HydrophobicContact CD1-CG 4.01Å; L760-W1071 HydrophobicContact CD1-CZ3 4.27Å; L760-W1071 HydrophobicContact CG-CD2 4.34Å; L760-W1071 HydrophobicContact CG-CE3 4.28Å; L760-W1071 HydrophobicContact CG-CZ3 4.48Å; L760-W1071 WeakPolarHBondContact O-CZ2 3.47Å; N761-W1071 PolarHBondContact OD1-NE1 3.5Å; K764-W1071 HydrophobicContact CD-CZ2 4.33Å; K764-W1071 VanDerWaalsContact CE-CZ2 3.42Å; K764-W1071 HydrophobicContact CG-CZ2 4.43Å; Y801-W1071 HydrophobicContact CD1-CH2 4.48Å; Y801-W1071 HydrophobicContact CD1-CZ3 4.11Å; Y801-W1071 HydrophobicContact CD2-CH2 4.07Å; Y801-W1071 HydrophobicContact CD2-CZ3 4.03Å; Y801-W1071 AromaticContact CE1-CH2 3.96Å; Y801-W1071 HydrophobicContact CE1-CH2 3.96Å; Y801-W1071 AromaticContact CE1-CZ3 4Å; Y801-W1071 HydrophobicContact CE1-CZ3 4Å; Y801-W1071 AromaticContact CE2-CH2 3.53Å; Y801-W1071 HydrophobicContact CE2-CH2 3.53Å; Y801-W1071 AromaticContact CE2-CZ3 3.95Å; Y801-W1071 HydrophobicContact CE2-CZ3 3.95Å; Y801-W1071 HydrophobicContact CG-CZ3 4.12Å; Y801-W1071 AromaticContact CZ-CH2 3.46Å; Y801-W1071 VanDerWaalsContact CZ-CH2 3.46Å; Y801-W1071 AromaticContact CZ-CZ3 3.92Å; I1067-W1071 WeakPolarHBondContact O-CB 3.19Å; I1067-W1071 PolarHBondContact O-N 3.37Å; I1068-W1071 WeakPolarHBondContact O-CB 3.15Å; I1068-W1071 PolarHBondContact O-N 2.88Å; S1069-W1071 VanDerWaalsContact C-N 3.29Å; S1069-W1071 PolarHBondContact O-N 2.93Å; W1071-N1073 PolarHBondContact O-N 3.47Å; W1071-K1074 PolarHBondContact O-N 3.17Å; W1071-N1075 HydrophobicContact CD2-CB 4.26Å; W1071-N1075 HydrophobicContact CE3-CB 4.24Å; W1071-N1075 HydrophobicContact CH2-CB 4.16Å; W1071-N1075 HydrophobicContact CZ2-CB 4.21Å; W1071-N1075 HydrophobicContact CZ3-CB 4.18Å; W1071-N1075 PolarHBondContact NE1-ND2 3.21Å; W1071-N1075 WeakPolarHBondContact O-CB 3.17Å; W1071-N1075 PolarHBondContact O-N 3.45Å; W1071-N1075 PolarHBondContact O-ND2 3.17Å
1072	L	94.8	Very high	77.8	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-59.9	-47.5	177.3	-72.2	167.7	0	0	0	111.1	L789 A797 F798 Y801 I1068 S1069 K1074 N1075 V1076	L789-L1072 HydrophobicContact CD1-CD1 4.45Å; A797-L1072 HydrophobicContact CB-CB 4.12Å; A797-L1072 HydrophobicContact CB-CD1 4.47Å; F798-L1072 HydrophobicContact CB-CD1 3.88Å; F798-L1072 HydrophobicContact CB-CD2 4.49Å; F798-L1072 HydrophobicContact CD2-CD1 4.46Å; F798-L1072 HydrophobicContact CD2-CD2 4.43Å; Y801-L1072 HydrophobicContact CG-CD2 4.31Å; I1068-L1072 HydrophobicContact CG2-CD1 3.84Å; I1068-L1072 HydrophobicContact CG2-CG 4.33Å; I1068-L1072 VanDerWaalsContact O-CG 3.29Å; I1068-L1072 WeakPolarHBondContact O-CG 3.27Å; I1068-L1072 PolarHBondContact O-N 3.35Å; S1069-L1072 PolarHBondContact O-N 3.29Å; L1072-K1074 PolarHBondContact O-N 2.99Å; L1072-N1075 PolarHBondContact O-N 3.32Å; L1072-N1075 VanDerWaalsContact O-N 3.15Å; L1072-V1076 HydrophobicContact CD2-CG2 3.98Å; L1072-V1076 WeakPolarHBondContact O-CB 3.43Å; L1072-V1076 PolarHBondContact O-N 3.29Å
1073	N	89.8	Confident	76	Confident	107 Å²	107	83.2 Å²	83.2	57%	0.572	44%	0.444	S	S	*	.	H	α-helix	trans	-58.9	-34.9	178	-71.2	-20.1	0	0	0	112.7	S1069 W1071	S1069-N1073 WeakPolarHBondContact O-CB 3.23Å; S1069-N1073 VanDerWaalsContact O-CG 3.22Å; S1069-N1073 PolarHBondContact O-N 2.95Å; S1069-N1073 PolarHBondContact O-ND2 3.41Å; W1071-N1073 PolarHBondContact O-N 3.47Å
1074	K	91.8	Very high	76	Confident	172 Å²	172	84 Å²	84	75%	0.748	45%	0.445	S	S	*	.	H	α-helix	trans	-80	-30.1	177.9	-71.7	174.6	-175.9	179.5	0	113.7	N1070 W1071 L1072	N1070-K1074 VanDerWaalsContact O-CG 3.28Å; N1070-K1074 WeakPolarHBondContact O-CG 3.48Å; N1070-K1074 PolarHBondContact O-N 3.08Å; N1070-K1074 VanDerWaalsContact O-N 3.17Å; W1071-K1074 PolarHBondContact O-N 3.17Å; L1072-K1074 PolarHBondContact O-N 2.99Å
1075	N	93.1	Very high	75.5	Confident	62 Å²	62	88 Å²	88	33%	0.332	47%	0.467	S	S	.	.	H	α-helix	trans	-110.5	-10	-168.4	-68.6	-88.6	0	0	0	114.3	K764 W1071 L1072 P1077	K764-N1075 PolarHBondContact NZ-OD1 3.42Å; W1071-N1075 HydrophobicContact CD2-CB 4.26Å; W1071-N1075 HydrophobicContact CE3-CB 4.24Å; W1071-N1075 HydrophobicContact CH2-CB 4.16Å; W1071-N1075 HydrophobicContact CZ2-CB 4.21Å; W1071-N1075 HydrophobicContact CZ3-CB 4.18Å; W1071-N1075 PolarHBondContact NE1-ND2 3.21Å; W1071-N1075 WeakPolarHBondContact O-CB 3.17Å; W1071-N1075 PolarHBondContact O-N 3.45Å; W1071-N1075 PolarHBondContact O-ND2 3.17Å; L1072-N1075 PolarHBondContact O-N 3.32Å; L1072-N1075 VanDerWaalsContact O-N 3.15Å; N1075-P1077 WeakPolarHBondContact O-CD 3.38Å
1076	V	88.7	Confident	75.1	Confident	17 Å²	17	88.4 Å²	88.4	10%	0.103	48%	0.476	C	S	.	.			trans	-123.8	77.5	-178.9	-168.9	0	0	0	0	108.9	A800 Y801 L1072 N1078	A800-V1076 HydrophobicContact CB-CG1 3.86Å; Y801-V1076 HydrophobicContact CD2-CG2 4.3Å; Y801-V1076 HydrophobicContact CG-CG2 4.45Å; L1072-V1076 HydrophobicContact CD2-CG2 3.98Å; L1072-V1076 WeakPolarHBondContact O-CB 3.43Å; L1072-V1076 PolarHBondContact O-N 3.29Å; V1076-N1078 PolarHBondContact O-N 2.81Å
1077	P	62.4	Low	74.4	Confident	124 Å²	124	87.6 Å²	87.6	81%	0.805	47%	0.472	S	S	*	.			trans	-74.3	10.1	-166.4	27.1	-34.1	0	0	0	115.8	N1075	N1075-P1077 WeakPolarHBondContact O-CD 3.38Å
1078	N	60.4	Low	73.3	Confident	116 Å²	116	89.3 Å²	89.3	62%	0.62	48%	0.482	S	S	*	.			trans	-143.6	80.1	-171	-143	-8.9	0	0	0	111.2	V1076 T1080	V1076-N1078 PolarHBondContact O-N 2.81Å; N1078-T1080 PolarHBondContact O-N 2.76Å; N1078-T1080 PolarHBondContact OD1-OG1 3.09Å
1079	T	52.7	Low	72	Confident	88 Å²	88	95.2 Å²	95.2	54%	0.54	51%	0.514	S	S	.	.			trans	-84.3	13.5	172.4	45.4	0	0	0	0	112.6	A797 I1081	A797-T1079 HydrophobicContact CB-CG2 3.99Å; T1079-I1081 VanDerWaalsContact C-N 3.27Å; T1079-I1081 WeakPolarHBondContact O-CG1 3.39Å; T1079-I1081 PolarHBondContact O-N 3.02Å
1080	T	46.2	Very low	70.7	Confident	112 Å²	112	101.1 Å²	101.1	69%	0.687	54%	0.544	S	S	*	.			trans	-55.1	101.9	171.8	-43.1	0	0	0	0	106.8	N1078 L1082	N1078-T1080 PolarHBondContact O-N 2.76Å; N1078-T1080 PolarHBondContact OD1-OG1 3.09Å; T1080-L1082 PolarHBondContact O-N 3.28Å
1081	I	45.4	Very low	69	Low	133 Å²	133	102.1 Å²	102.1	68%	0.682	55%	0.55	S	S	*	.			trans	-59.8	106.7	-174.5	-56.7	172.6	0	0	0	103.7	T1079 L1083	T1079-I1081 VanDerWaalsContact C-N 3.27Å; T1079-I1081 WeakPolarHBondContact O-CG1 3.39Å; T1079-I1081 PolarHBondContact O-N 3.02Å; I1081-L1083 HydrophobicContact CG2-CB 4.14Å; I1081-L1083 HydrophobicContact CG2-CD1 4.02Å; I1081-L1083 HydrophobicContact CG2-CG 3.62Å; I1081-L1083 PolarHBondContact O-N 3.3Å
1082	L	43.6	Very low	66.8	Low	171 Å²	171	109.7 Å²	109.7	90%	0.895	59%	0.592	S	S	*	*			trans	-64.5	80	158.4	-86.8	155.2	0	0	0	104.5	T1080	T1080-L1082 PolarHBondContact O-N 3.28Å
1083	L	33.3	Very low	64.3	Low	214 Å²	214	119.6 Å²	119.6	100%	1.12	65%	0.646	S	S	*	*			trans	-72.8	0	167	-108.7	160.3	0	0	0	108	I1081	I1081-L1083 HydrophobicContact CG2-CB 4.14Å; I1081-L1083 HydrophobicContact CG2-CD1 4.02Å; I1081-L1083 HydrophobicContact CG2-CG 3.62Å; I1081-L1083 PolarHBondContact O-N 3.3Å

Retrieved 1,083 of 1,083 residues in 1850.4 ms (Link to these results)

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