A0A061ICN7_CRIGR Loading...

Exosome RNA helicase MTR4

AlphaFold DB , UniProt , Accession A0A061ICN7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mtrex, Length 1,041 aa.

						>A0A061ICN7_CRIGR|A0A061ICN7|Mtrex
MADAFGDELFSVFEDDSTTAGTKKDKDKEKEKWKGPPASTDKAGKRLDAKLQSESASGGKNKRDVDVDGTDEPIFGKKPRIEDSINEDLSLADLMPRVKVQSVETVEGCTHEVALPADEEYIPLKPRVGKAAKEYPFILDAFQREAIQCVDNNQSVLVSAHTSAGKTVCAEYAIALALREKQRVIFTSPIKALSNQKYREMYEEFQDVGLMTGDVTINPTASCLVMTTEILRSMLYRGSEVMREVAWVIFDEIHYMRDSERGVVWEETIILLPDNVHYVFLSATIPNARQFAEWICHLHKQPCHVIYTDYRPTPLQHYIFPAGGDGLHLVVDENGDFREDNFNTAMQVLRDAGDLAKGDQKGRKGGTKGPSNVFKIVKMIMERNFQPVIIFSFSKKDCEAYALQMTKLDFNTDEEKKMVEEVFSNAIDCLSDEDKKLPQVEHVLPLLKRGIGIHHGGLLPILKETIEILFSEGLIKALFATETFAMGINMPARTVLFTNARKFDGKDFRWISSGEYIQMSGRAGRRGMDDRGIVILMVDEKMSPTIGKQLLKGSADPLNSAFHLTYNMVLNLLRVEEINPEYMLEKSFYQFQHYRAIPGVVEKVKNSEEQYNKIVIPNEENVVIYYKIRQQLAKLGKEIEEYIHKPKYCLPFLQPGRLVKVKNEGDDFGWGVVVNFSKKSNVKPNSGELDPLYVVEVLLRCSKESLKNSATEAAKPAKPDEKGEMQVVPVLVHLLSAISTVRLYIPKDLRPVDNRQSVLKSIQEVQKRFPDGVPLLDPIDDMGIQDQGLKKVIQKVEAFEHRMYSHPLHNDPNLETVYTLCEKKAQIAIDIKSAKRELKKARTVLQMDELKCRKRVLRRLGFATSSDVIEMKGRVACEISSADELLLTEMMFNGLFNDLSAEQATALLSCFVFQENSSEMPKLTEQLAGPLRQMQECAKRIAKVSAEAKLEIDEETYLSSFKPHLMDVVYTWATGATFAHICKMTDVFEGSIIRCMRRLEELLRQMCQAAKAIGNTELENKFAEGITKIKRDIVFAASLYL
					

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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	26.8	Very low	25.6	Very low	240 Å²	240	141.5 Å²	141.5	100%	1.182	79%	0.787	S	S	*	*				0	145.2	0	-142	-170.7	-61.9	0	0	106.4
2	A	24.8	Very low	25.6	Very low	77 Å²	77	139.3 Å²	139.3	64%	0.636	78%	0.779	S	S	*	*			trans	56.4	106	165.9	0	0	0	0	0	119.2
3	D	27.4	Very low	25.7	Very low	167 Å²	167	142.7 Å²	142.7	89%	0.893	78%	0.781	S	S	*	*				89	158	121.9	-52.9	-15	0	0	0	122.4
4	A	23.7	Very low	25.8	Very low	80 Å²	80	143.4 Å²	143.4	66%	0.661	78%	0.777	S	S	*	*			trans	-151.1	-162.3	-161.3	0	0	0	0	0	110.1
5	F	26.2	Very low	26.1	Very low	206 Å²	206	143.6 Å²	143.6	90%	0.904	78%	0.777	S	S	*	*			trans	67.7	146.4	-167.7	-49.6	-83.6	0	0	0	111.7
6	G	25.4	Very low	26.5	Very low	62 Å²	62	143.2 Å²	143.2	64%	0.639	77%	0.774	S	S	*	*			cis	141.1	149.3	12.5	0	0	0	0	0	106.7
7	D	26.2	Very low	26.6	Very low	145 Å²	145	140.5 Å²	140.5	78%	0.775	77%	0.768	S	S	*	*			cis	-155.5	-177.6	-0.7	-80.6	-46.3	0	0	0	109.6
8	E	25.5	Very low	26.9	Very low	170 Å²	170	139.8 Å²	139.8	79%	0.794	77%	0.77	S	S	*	*			trans	6.3	150.8	142.3	-59.4	-160.2	154.2	0	0	121.3
9	L	24.3	Very low	27	Very low	123 Å²	123	140.4 Å²	140.4	64%	0.644	78%	0.778	S	S	*	*			cis	-168	-178.4	-9.6	-139.1	75.9	0	0	0	110.4
10	F	25.8	Very low	27.2	Very low	183 Å²	183	138.5 Å²	138.5	80%	0.803	78%	0.781	S	S	*	*			trans	81.4	136.9	155.4	-76.6	-64.9	0	0	0	124.2
11	S	24.9	Very low	27.2	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	78%	0.779	S	S	*	*			trans	59.1	127.7	157.8	44.2	0	0	0	0	120.1
12	V	26.5	Very low	27.1	Very low	115 Å²	115	130.4 Å²	130.4	70%	0.697	76%	0.763	S	S	*	*			cis	94.3	117.9	17.8	-175.9	0	0	0	0	115.3
13	F	27	Very low	27.2	Very low	184 Å²	184	136.1 Å²	136.1	81%	0.807	77%	0.773	S	S	*	*			trans	64.8	149	-175.1	-58.8	-59.5	0	0	0	114.8
14	E	27.2	Very low	27.3	Very low	153 Å²	153	136.3 Å²	136.3	72%	0.715	77%	0.766	S	S	*	*			cis	-156.7	158.7	5.7	-134.2	158.5	-144.4	0	0	110.5
15	D	29.1	Very low	27.6	Very low	146 Å²	146	138 Å²	138	78%	0.781	76%	0.764	S	S	*	*			trans	49.4	158.5	144.7	-73.9	14.9	0	0	0	123.9
16	D	33	Very low	27.8	Very low	137 Å²	137	136.3 Å²	136.3	73%	0.733	76%	0.756	S	S	*	*			cis	-167.2	173.8	-21.5	176.1	43	0	0	0	109.6
17	S	28.6	Very low	28.1	Very low	97 Å²	97	138.2 Å²	138.2	68%	0.678	75%	0.752	S	S	*	*			trans	107.4	149.3	139.1	82.1	0	0	0	0	119.6
18	T	30.8	Very low	28.3	Very low	129 Å²	129	138.3 Å²	138.3	79%	0.791	75%	0.745	S	S	*	*			trans	-140.2	152.6	176.4	60.3	0	0	0	0	109.9
19	T	30.1	Very low	28.6	Very low	151 Å²	151	136.8 Å²	136.8	93%	0.926	74%	0.738	S	S	*	*			trans	-169.4	147	144.1	11	0	0	0	0	117
20	A	31.1	Very low	28.9	Very low	101 Å²	101	137.8 Å²	137.8	84%	0.835	74%	0.737	S	S	*	*			trans	-18.6	145.7	168.5	0	0	0	0	0	124.8
21	G	26	Very low	29	Very low	72 Å²	72	134.9 Å²	134.9	74%	0.742	73%	0.726	S	S	*	*			trans	100	151.4	146.5	0	0	0	0	0	117
22	T	25.5	Very low	29.2	Very low	138 Å²	138	137.3 Å²	137.3	85%	0.847	72%	0.724	S	S	*	*			cis	-154.2	171.8	-8.9	48.6	0	0	0	0	110.9
23	K	27.6	Very low	29	Very low	197 Å²	197	142.8 Å²	142.8	86%	0.857	73%	0.732	S	S	*	*			trans	2.5	145.8	159.8	-66.6	173.9	-178.9	170.8	0	119
24	K	27.9	Very low	29	Very low	171 Å²	171	143.8 Å²	143.8	74%	0.743	74%	0.736	S	S	*	*			cis	-174.1	164.1	42.9	-145	-169.2	179.5	-162.5	0	113.1
25	D	31.1	Very low	28.8	Very low	114 Å²	114	139.9 Å²	139.9	61%	0.61	74%	0.737	S	S	*	*			trans	26.1	130.3	149.9	-61.5	-15	0	0	0	119.5
26	K	30.8	Very low	30.4	Very low	171 Å²	171	139 Å²	139	74%	0.743	74%	0.739	S	S	*	*			cis	-168.2	-173.3	22.5	-113.2	173.1	171.4	179.6	0	108
27	D	31.8	Very low	31.1	Very low	102 Å²	102	138.2 Å²	138.2	55%	0.545	74%	0.741	S	S	.	*			cis	-157	169.4	-0.6	-111.7	-19.2	0	0	0	103
28	K	30.5	Very low	31.2	Very low	148 Å²	148	137.9 Å²	137.9	64%	0.643	74%	0.744	S	S	*	*			cis	-160.1	146.4	2.8	-115.8	157.1	-173.7	140.9	0	107.1
29	E	31.6	Very low	31.2	Very low	138 Å²	138	137 Å²	137	65%	0.645	74%	0.743	S	S	*	*				56.3	134.4	97.6	-60.4	-156.2	150.6	0	0	116.7
30	K	29.4	Very low	31.1	Very low	143 Å²	143	135.9 Å²	135.9	62%	0.622	74%	0.737	S	S	*	*			cis	-171.1	165.1	9.1	-110.5	171.4	177.9	143.7	0	109.6
31	E	29.2	Very low	31	Very low	122 Å²	122	136.2 Å²	136.2	57%	0.57	73%	0.725	S	S	*	*			cis	-165.1	162.1	-19.3	-131.4	-177.7	145.7	0	0	112.7
32	K	28.3	Very low	31.2	Very low	154 Å²	154	141.5 Å²	141.5	67%	0.67	73%	0.727	S	S	*	*			trans	42	110.2	149.9	-75.8	164.7	-179.1	151.5	0	124
33	W	23	Very low	31.3	Very low	230 Å²	230	139.8 Å²	139.8	87%	0.871	73%	0.727	S	S	*	*				52.7	114.1	98.7	-163.4	18.8	0	0	0	122
34	K	26	Very low	31.2	Very low	206 Å²	206	133.7 Å²	133.7	90%	0.896	72%	0.72	S	S	*	*				-174	175.7	129.3	-106.7	176	-177.3	-176.3	0	114.2
35	G	24	Very low	31.3	Very low	70 Å²	70	135.4 Å²	135.4	72%	0.722	73%	0.727	S	S	*	*			trans	-111.7	-158.6	-164.6	0	0	0	0	0	118.1
36	P	62.7	Low	31	Very low	127 Å²	127	140.8 Å²	140.8	83%	0.825	74%	0.739	S	S	*	*			trans	-99.2	179	-155.2	43.3	-41.2	0	0	0	115
37	P	47.9	Very low	30.8	Very low	121 Å²	121	138.9 Å²	138.9	79%	0.786	74%	0.736	S	S	*	*				-157.1	154.7	91	40.9	-21.3	0	0	0	120
38	A	30	Very low	30.5	Very low	90 Å²	90	141 Å²	141	74%	0.744	75%	0.748	S	S	*	*			trans	31.6	168.5	133.2	0	0	0	0	0	126.9
39	S	30.1	Very low	30.3	Very low	110 Å²	110	139.1 Å²	139.1	77%	0.769	76%	0.76	S	S	*	*			trans	82.1	153.6	160.1	76.1	0	0	0	0	117.8
40	T	27.8	Very low	30.1	Very low	129 Å²	129	142 Å²	142	79%	0.791	77%	0.77	S	S	*	*			cis	-170.1	169.8	0.3	15.5	0	0	0	0	107.5
41	D	29.4	Very low	29.9	Very low	108 Å²	108	143.2 Å²	143.2	58%	0.578	78%	0.783	S	S	*	*			cis	178.7	163.5	-16.1	168.9	36.4	0	0	0	109.7
42	K	30.6	Very low	29.7	Very low	182 Å²	182	145.9 Å²	145.9	79%	0.791	80%	0.795	S	S	*	*			trans	66	161.7	171.8	-70.3	143.3	-177.8	137.9	0	118.4
43	A	27.9	Very low	29.5	Very low	102 Å²	102	143.6 Å²	143.6	84%	0.843	80%	0.799	S	S	*	*			cis	-174.8	173.3	-23	0	0	0	0	0	108
44	G	25.6	Very low	29.6	Very low	69 Å²	69	141.3 Å²	141.3	71%	0.711	80%	0.798	S	S	*	*			cis	157.6	153.8	-5.8	0	0	0	0	0	112.7
45	K	28.5	Very low	29.5	Very low	207 Å²	207	137 Å²	137	90%	0.9	79%	0.793	S	S	*	*			trans	85.2	126.7	-173.6	-60.6	178.6	179.4	177.7	0	114.8
46	R	25.1	Very low	29.5	Very low	227 Å²	227	138.4 Å²	138.4	86%	0.857	80%	0.798	S	S	*	*				77.3	132.7	65.4	-95.7	-167.3	176.6	-175.8	-0.2	113.1
47	L	26.3	Very low	27.8	Very low	131 Å²	131	138.2 Å²	138.2	69%	0.686	80%	0.8	S	S	*	*			cis	-142.4	160	16.2	-85.2	121.9	0	0	0	114.6
48	D	26.6	Very low	26.7	Very low	147 Å²	147	136.8 Å²	136.8	79%	0.786	81%	0.808	S	S	*	*			trans	35.8	114.8	145	-52.3	-9	0	0	0	123.7
49	A	25.9	Very low	26.4	Very low	109 Å²	109	135.8 Å²	135.8	90%	0.901	81%	0.806	S	S	*	*			trans	-157.5	163	133.4	0	0	0	0	0	110.2
50	K	28.1	Very low	26.2	Very low	198 Å²	198	140.8 Å²	140.8	86%	0.861	81%	0.814	S	S	*	*			trans	-103.8	162.7	179.9	-75.5	-178	174.2	177.7	0	112.7
51	L	25.4	Very low	26.1	Very low	168 Å²	168	142.1 Å²	142.1	88%	0.88	82%	0.816	S	S	*	*			trans	100	146.8	158	-67.8	159.3	0	0	0	118.7
52	Q	24.6	Very low	25.9	Very low	178 Å²	178	146.2 Å²	146.2	83%	0.832	83%	0.829	S	S	*	*			trans	74.1	100.8	166.1	-72.2	-178.5	-9.8	0	0	120.9
53	S	23.6	Very low	25.7	Very low	107 Å²	107	148.4 Å²	148.4	75%	0.748	83%	0.832	S	S	*	*				76.3	147.6	123.9	61	0	0	0	0	123.6
54	E	25.1	Very low	25.5	Very low	181 Å²	181	150.5 Å²	150.5	85%	0.846	83%	0.829	S	S	*	*			trans	84	95.6	157.8	-55	-134.8	128.4	0	0	121.4
55	S	24.2	Very low	25.5	Very low	115 Å²	115	152.9 Å²	152.9	80%	0.804	83%	0.829	S	S	*	*				100.7	163	119.3	83.4	0	0	0	0	121.2
56	A	24.1	Very low	25.5	Very low	100 Å²	100	150.7 Å²	150.7	83%	0.826	83%	0.828	S	S	*	*			trans	67.5	83	164.4	0	0	0	0	0	120.1
57	S	26	Very low	25.6	Very low	124 Å²	124	146.2 Å²	146.2	87%	0.867	83%	0.825	S	S	*	*			trans	-141.9	124.8	140.8	68	0	0	0	0	110.6
58	G	25.3	Very low	25.9	Very low	91 Å²	91	146.9 Å²	146.9	94%	0.938	83%	0.83	S	S	*	*			trans	-96.1	126.2	-173.3	0	0	0	0	0	114.1
59	G	24.7	Very low	26.1	Very low	69 Å²	69	143 Å²	143	71%	0.711	83%	0.825	S	S	*	*			trans	-107	134.8	169.7	0	0	0	0	0	111.9	N61	G59-N61 PolarHBondContact O-N 3.33Å
60	K	25.8	Very low	26.6	Very low	215 Å²	215	143 Å²	143	94%	0.935	81%	0.814	S	S	*	*			trans	-81.8	95.2	178.1	-73.1	-178.6	178.3	176.9	0	111.1	K62	K60-K62 PolarHBondContact O-N 3.22Å; K60-K62 VanDerWaalsContact O-N 3.11Å
61	N	25.1	Very low	27.1	Very low	157 Å²	157	137.7 Å²	137.7	84%	0.84	80%	0.795	S	S	*	*			trans	-68.2	106.5	167.4	-76.6	-4.8	0	0	0	110.4	G59	G59-N61 PolarHBondContact O-N 3.33Å
62	K	25.4	Very low	28.1	Very low	193 Å²	193	133.6 Å²	133.6	84%	0.839	77%	0.771	S	S	*	*			trans	-66.6	127.2	150.4	-92.3	-171.5	169.5	-170.7	0	107.3	K60	K60-K62 PolarHBondContact O-N 3.22Å; K60-K62 VanDerWaalsContact O-N 3.11Å
63	R	25.7	Very low	29.1	Very low	228 Å²	228	125.9 Å²	125.9	86%	0.86	74%	0.736	S	S	*	*			trans	-87.2	114.7	160.3	-67.3	177.8	179.6	162.8	-0.7	106.3
64	D	25	Very low	30.5	Very low	146 Å²	146	126.9 Å²	126.9	78%	0.781	73%	0.732	S	S	*	*			trans	-68.9	139.3	159.4	-68.1	-43.1	0	0	0	107.8
65	V	25.8	Very low	31.9	Very low	119 Å²	119	120 Å²	120	72%	0.721	70%	0.699	S	S	*	*			trans	-107	109.5	178.3	175.9	0	0	0	0	106.2	V67	V65-V67 PolarHBondContact O-N 3.2Å
66	D	28.7	Very low	32.8	Very low	162 Å²	162	118.2 Å²	118.2	87%	0.866	70%	0.699	S	S	*	*			trans	-61.2	108.9	173.8	-75	-55.2	0	0	0	109.4	D68	D66-D68 PolarHBondContact O-N 2.92Å
67	V	25.4	Very low	33.5	Very low	133 Å²	133	122.3 Å²	122.3	81%	0.806	70%	0.698	S	S	*	*			trans	-91	96.4	168.8	179.9	0	0	0	0	107.2	V65	V65-V67 PolarHBondContact O-N 3.2Å
68	D	33.8	Very low	34.1	Very low	145 Å²	145	125.8 Å²	125.8	78%	0.775	70%	0.698	S	S	*	*			trans	-72.9	169	176.2	-155.7	-5	0	0	0	111.7	D66	D66-D68 PolarHBondContact O-N 2.92Å
69	G	29.5	Very low	34.6	Very low	66 Å²	66	125.3 Å²	125.3	68%	0.68	68%	0.678	S	S	*	*			trans	105.4	20.9	163.6	0	0	0	0	0	117.9
70	T	36.6	Very low	35	Very low	109 Å²	109	131.4 Å²	131.4	67%	0.669	68%	0.68	S	S	*	*			trans	-132.2	116.6	163.4	49.7	0	0	0	0	114.1	E72 K832	T70-E72 VanDerWaalsContact C-N 3.33Å; T70-E72 PolarHBondContact O-N 2.92Å; T70-K832 PolarHBondContact O-NZ 3.25Å; T70-K832 VanDerWaalsContact O-NZ 3.14Å
71	D	39.7	Very low	35.4	Very low	86 Å²	86	127.7 Å²	127.7	46%	0.46	67%	0.669	S	S	.	*			trans	-95.6	50.4	169.3	-85.7	-23.4	0	0	0	112.8	K832 R836	D71-K832 WeakPolarHBondContact OD1-CE 3.17Å; D71-K832 IonicContact OD1-NZ 2.72Å; D71-K832 PolarHBondContact OD1-NZ 2.91Å; D71-R836 VanDerWaalsContact CG-NH1 3.3Å; D71-R836 IonicContact OD1-CZ 3.29Å; D71-R836 VanDerWaalsContact OD1-CZ 3.24Å; D71-R836 IonicContact OD1-NH1 2.64Å; D71-R836 PolarHBondContact OD1-NH1 2.84Å; D71-R836 IonicContact OD1-NH2 2.72Å; D71-R836 PolarHBondContact OD1-NH2 3.26Å; D71-R836 IonicContact OD2-CZ 2.66Å; D71-R836 IonicContact OD2-NH1 2.68Å; D71-R836 PolarHBondContact OD2-NH1 3.41Å; D71-R836 IonicContact OD2-NH2 3.62Å
72	E	46	Very low	35.7	Very low	81 Å²	81	127.6 Å²	127.6	38%	0.379	66%	0.663	S	S	.	*			trans	-70.6	139.7	163	-74.5	-149	-179.8	0	0	111.4	T70 I74 K627 Q631	T70-E72 VanDerWaalsContact C-N 3.33Å; T70-E72 PolarHBondContact O-N 2.92Å; E72-I74 PolarHBondContact O-N 2.81Å; E72-K627 IonicContact OE2-NZ 2.73Å; E72-K627 PolarHBondContact OE2-NZ 3.41Å; E72-Q631 PolarHBondContact OE1-NE2 2.9Å
73	P	45	Very low	36.3	Very low	16 Å²	16	123.9 Å²	123.9	10%	0.104	65%	0.652	C	S	.	*			trans	-72.1	122.8	169.7	28.7	-33.5	0	0	0	110.8	F75 Y626 A825	P73-F75 HydrophobicContact CB-CD2 4.35Å; P73-F75 HydrophobicContact CB-CE2 3.86Å; P73-F75 HydrophobicContact CB-CZ 4.4Å; P73-F75 HydrophobicContact CG-CD2 4.47Å; P73-F75 HydrophobicContact CG-CE2 3.74Å; P73-F75 HydrophobicContact CG-CZ 4.44Å; P73-F75 PolarHBondContact O-N 3.31Å; P73-Y626 HydrophobicContact CG-CE1 4.37Å; P73-A825 HydrophobicContact CB-CB 4.34Å; P73-A825 HydrophobicContact CG-CB 4.27Å
74	I	53	Low	37	Very low	129 Å²	129	115.8 Å²	115.8	66%	0.662	63%	0.63	S	S	*	*			trans	-91.8	91.9	177	-55.3	177.7	0	0	0	108.9	E72	E72-I74 PolarHBondContact O-N 2.81Å
75	F	54.1	Low	37.5	Very low	36 Å²	36	114.8 Å²	114.8	16%	0.158	62%	0.624	C	S	.	*			trans	-69.9	146.3	169.6	-62.5	-93.5	0	0	0	111	P73 V623 K824 A825	P73-F75 HydrophobicContact CB-CD2 4.35Å; P73-F75 HydrophobicContact CB-CE2 3.86Å; P73-F75 HydrophobicContact CB-CZ 4.4Å; P73-F75 HydrophobicContact CG-CD2 4.47Å; P73-F75 HydrophobicContact CG-CE2 3.74Å; P73-F75 HydrophobicContact CG-CZ 4.44Å; P73-F75 PolarHBondContact O-N 3.31Å; F75-V623 HydrophobicContact CD1-CG2 3.67Å; F75-V623 HydrophobicContact CD2-CB 4.38Å; F75-V623 HydrophobicContact CD2-CG1 3.49Å; F75-V623 VanDerWaalsContact CD2-CG1 3.49Å; F75-V623 HydrophobicContact CD2-CG2 3.88Å; F75-V623 HydrophobicContact CE1-CG2 3.7Å; F75-V623 HydrophobicContact CE2-CB 4.44Å; F75-V623 HydrophobicContact CE2-CG1 3.75Å; F75-V623 HydrophobicContact CE2-CG2 3.88Å; F75-V623 HydrophobicContact CG-CG1 4.03Å; F75-V623 HydrophobicContact CG-CG2 3.77Å; F75-V623 HydrophobicContact CZ-CG1 4.48Å; F75-V623 HydrophobicContact CZ-CG2 3.79Å; F75-K824 HydrophobicContact CE1-CG 4.38Å; F75-A825 HydrophobicContact CZ-CB 3.97Å
76	G	44.6	Very low	38.2	Very low	78 Å²	78	115.4 Å²	115.4	80%	0.804	62%	0.623	S	S	*	*	S	Bend	trans	95.6	-3.4	158.9	0	0	0	0	0	119.2
77	K	38.4	Very low	39.1	Very low	186 Å²	186	111.3 Å²	111.3	81%	0.809	60%	0.599	S	S	*	*			trans	-98.8	109.8	171.4	-78.8	-173.5	176.6	178.8	0	111.7
78	K	38.6	Very low	40.2	Very low	196 Å²	196	110.4 Å²	110.4	85%	0.852	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-59.6	132.9	165.2	-71.5	-174.5	175.7	-176.4	0	109.6
79	P	34.9	Very low	40.6	Very low	81 Å²	81	110 Å²	110	53%	0.526	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-58.3	145.6	167.1	-21.2	32.7	0	0	0	110.7
80	R	32.7	Very low	41.9	Very low	198 Å²	198	110 Å²	110	75%	0.747	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-78.1	132.3	162.4	-76	-174.4	173.9	175.2	-4.8	107.9	E82	R80-E82 VanDerWaalsContact C-N 3.34Å
81	I	36	Very low	42.9	Very low	137 Å²	137	105.8 Å²	105.8	70%	0.703	55%	0.55	S	S	*	.	S	Bend	trans	-81.5	-21.5	-175.4	-64	170.6	0	0	0	111	D83 S84	I81-D83 VanDerWaalsContact C-N 3.26Å; I81-D83 PolarHBondContact O-N 3.23Å; I81-S84 PolarHBondContact O-N 3.44Å; I81-S84 PolarHBondContact O-OG 2.61Å
82	E	30.1	Very low	43.8	Very low	155 Å²	155	104.8 Å²	104.8	72%	0.724	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-25.3	-174.3	-63.5	171.9	132.9	0	0	114.1	R80 S84	R80-E82 VanDerWaalsContact C-N 3.34Å; E82-S84 VanDerWaalsContact C-N 3.32Å; E82-S84 PolarHBondContact O-N 3.09Å
83	D	38.4	Very low	44.6	Very low	115 Å²	115	106.7 Å²	106.7	62%	0.615	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-26.8	178.4	-64.8	-49.9	0	0	0	112.7	I81 I85	I81-D83 VanDerWaalsContact C-N 3.26Å; I81-D83 PolarHBondContact O-N 3.23Å; D83-I85 PolarHBondContact O-N 3.05Å
84	S	41.1	Very low	45.5	Very low	57 Å²	57	108.5 Å²	108.5	40%	0.399	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67	-33.9	-170.3	60.2	0	0	0	0	115	I81 E82 N86 E87	I81-S84 PolarHBondContact O-N 3.44Å; I81-S84 PolarHBondContact O-OG 2.61Å; E82-S84 VanDerWaalsContact C-N 3.32Å; E82-S84 PolarHBondContact O-N 3.09Å; S84-N86 VanDerWaalsContact C-N 3.33Å; S84-N86 PolarHBondContact O-N 3.04Å; S84-E87 PolarHBondContact O-N 3.28Å; S84-E87 VanDerWaalsContact O-N 3.1Å
85	I	35.3	Very low	46.3	Very low	126 Å²	126	105.8 Å²	105.8	65%	0.646	56%	0.56	S	S	*	*	H	α-helix	trans	-73.2	-26.1	-169.4	-57.8	177.4	0	0	0	112.2	D83	D83-I85 PolarHBondContact O-N 3.05Å
86	N	40.2	Very low	47.2	Very low	132 Å²	132	104.6 Å²	104.6	71%	0.706	56%	0.556	S	S	*	*	H	α-helix	trans	-81.8	-14.4	173.4	-82.5	-27.7	0	0	0	113.1	S84	S84-N86 VanDerWaalsContact C-N 3.33Å; S84-N86 PolarHBondContact O-N 3.04Å
87	E	48.2	Very low	49.1	Very low	76 Å²	76	108.8 Å²	108.8	36%	0.355	55%	0.547	S	S	.	.	H	α-helix	trans	-81	-35.9	-176.6	-64.6	-162.5	144.2	0	0	112.9	S84 L89 S90 L91 R842	S84-E87 PolarHBondContact O-N 3.28Å; S84-E87 VanDerWaalsContact O-N 3.1Å; E87-L89 VanDerWaalsContact C-N 3.33Å; E87-L89 PolarHBondContact O-N 3.18Å; E87-S90 PolarHBondContact O-N 3.02Å; E87-S90 VanDerWaalsContact O-N 3.15Å; E87-L91 WeakPolarHBondContact O-CG 3.28Å; E87-L91 PolarHBondContact O-N 3.16Å; E87-R842 IonicContact OE1-CZ 2.66Å; E87-R842 IonicContact OE1-NH1 2.64Å; E87-R842 PolarHBondContact OE1-NH1 3.34Å; E87-R842 IonicContact OE1-NH2 2.57Å; E87-R842 IonicContact OE2-CZ 3.55Å; E87-R842 IonicContact OE2-NH1 2.74Å; E87-R842 PolarHBondContact OE2-NH1 3.01Å; E87-R842 IonicContact OE2-NH2 2.71Å; E87-R842 PolarHBondContact OE2-NH2 3.42Å
88	D	47.3	Very low	51.5	Low	114 Å²	114	100.6 Å²	100.6	61%	0.61	51%	0.513	S	S	*	.	H	α-helix	trans	-62.3	-38.8	-179.8	-71.1	-27.8	0	0	0	112.5	S90 L91 A92	D88-S90 VanDerWaalsContact C-N 3.31Å; D88-S90 PolarHBondContact O-N 3.41Å; D88-L91 PolarHBondContact O-N 2.95Å; D88-A92 PolarHBondContact O-N 3.44Å
89	L	43.8	Very low	54.1	Low	135 Å²	135	95 Å²	95	71%	0.707	49%	0.489	S	S	*	.	H	α-helix	trans	-63.9	-33.5	176	-89.4	157.7	0	0	0	112.8	E87 L91	E87-L89 VanDerWaalsContact C-N 3.33Å; E87-L89 PolarHBondContact O-N 3.18Å; L89-L91 VanDerWaalsContact C-N 3.32Å
90	S	55.1	Low	56.9	Low	66 Å²	66	93.5 Å²	93.5	46%	0.462	48%	0.477	S	S	.	.	H	α-helix	trans	-75.3	-19.9	176.2	179.5	0	0	0	0	113.2	E87 D88	E87-S90 PolarHBondContact O-N 3.02Å; E87-S90 VanDerWaalsContact O-N 3.15Å; D88-S90 VanDerWaalsContact C-N 3.31Å; D88-S90 PolarHBondContact O-N 3.41Å
91	L	57.3	Low	59.8	Low	22 Å²	22	88.3 Å²	88.3	12%	0.115	46%	0.462	C	S	.	.	H	α-helix	trans	-83.6	-35.3	-176.5	-75.6	169.2	0	0	0	112.3	E87 D88 L89 D93 L94 M95 I597	E87-L91 WeakPolarHBondContact O-CG 3.28Å; E87-L91 PolarHBondContact O-N 3.16Å; D88-L91 PolarHBondContact O-N 2.95Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L91-D93 VanDerWaalsContact C-N 3.3Å; L91-D93 PolarHBondContact O-N 3.29Å; L91-L94 PolarHBondContact O-N 2.97Å; L91-L94 VanDerWaalsContact O-N 3.08Å; L91-M95 WeakPolarHBondContact O-CG 3.41Å; L91-M95 PolarHBondContact O-N 3.47Å; L91-I597 HydrophobicContact CD2-CD1 4.49Å; L91-I597 HydrophobicContact CD2-CG2 3.78Å
92	A	60.3	Low	62.5	Low	64 Å²	64	85.3 Å²	85.3	53%	0.529	45%	0.453	S	S	.	.	H	α-helix	trans	-59.9	-35.6	-178.3	0	0	0	0	0	113.7	D88	D88-A92 PolarHBondContact O-N 3.44Å
93	D	61.9	Low	65.5	Low	122 Å²	122	79.3 Å²	79.3	65%	0.652	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-18.4	177.3	-79.4	-39.9	0	0	0	114	L91 R97	L91-D93 VanDerWaalsContact C-N 3.3Å; L91-D93 PolarHBondContact O-N 3.29Å; D93-R97 IonicContact OD1-NH2 3.56Å; D93-R97 PolarHBondContact OD1-NH2 2.88Å; D93-R97 VanDerWaalsContact OD1-NH2 3.1Å
94	L	63.5	Low	67.8	Low	53 Å²	53	83.2 Å²	83.2	28%	0.277	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-13.1	175.1	-69.7	169.7	0	0	0	113.1	L91 Y594	L91-L94 PolarHBondContact O-N 2.97Å; L91-L94 VanDerWaalsContact O-N 3.08Å; L94-Y594 HydrophobicContact CD2-CE1 4.35Å
95	M	69.9	Low	69.8	Low	73 Å²	73	82.5 Å²	82.5	36%	0.36	44%	0.435	S	S	.	.	S	Bend	trans	-82	138.6	-176.6	-75.4	-174.5	74	0	0	112.5	L91 R97 P598	L91-M95 WeakPolarHBondContact O-CG 3.41Å; L91-M95 PolarHBondContact O-N 3.47Å; M95-R97 PolarHBondContact O-N 3.43Å; M95-P598 HydrophobicContact CE-CG 4.31Å
96	P	74.4	Confident	71.7	Confident	11 Å²	11	80.9 Å²	80.9	7%	0.071	43%	0.431	C	S	.	.			trans	-58.4	122.7	174.8	-25.4	34.3	0	0	0	112.5	V98 F591	P96-V98 PolarHBondContact O-N 3Å; P96-F591 HydrophobicContact CB-CD2 4.19Å; P96-F591 HydrophobicContact CB-CE2 3.49Å; P96-F591 VanDerWaalsContact CB-CE2 3.49Å; P96-F591 HydrophobicContact CB-CZ 4.13Å; P96-F591 HydrophobicContact CG-CD2 3.71Å; P96-F591 HydrophobicContact CG-CE2 3.4Å; P96-F591 HydrophobicContact CG-CZ 4Å
97	R	83.8	Confident	73	Confident	165 Å²	165	82.9 Å²	82.9	62%	0.623	44%	0.436	S	S	*	.			trans	-78.5	62.2	179.3	-62.2	-175.7	-178.8	-175.3	-0	111.7	D93 M95 A117	D93-R97 IonicContact OD1-NH2 3.56Å; D93-R97 PolarHBondContact OD1-NH2 2.88Å; D93-R97 VanDerWaalsContact OD1-NH2 3.1Å; M95-R97 PolarHBondContact O-N 3.43Å; R97-A117 HydrophobicContact CB-CB 4.18Å; R97-A117 VanDerWaalsContact O-CB 3.3Å; R97-A117 WeakPolarHBondContact O-CB 3.46Å; R97-A117 PolarHBondContact O-N 3.44Å
98	V	89.4	Confident	74.3	Confident	15 Å²	15	82.5 Å²	82.5	9%	0.091	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.3	-179.1	176	0	0	0	0	109.6	P96 A114 L115 E293 C296 H297	P96-V98 PolarHBondContact O-N 3Å; V98-A114 HydrophobicContact CG1-CB 4Å; V98-L115 WeakPolarHBondContact CA-O 3.49Å; V98-L115 WeakPolarHBondContact CG1-O 3.4Å; V98-E293 HydrophobicContact CG1-CB 4.07Å; V98-E293 HydrophobicContact CG1-CG 4.05Å; V98-C296 HydrophobicContact CG1-CB 4.25Å; V98-C296 HydrophobicContact CG2-CB 4.4Å; V98-H297 HydrophobicContact CG2-CB 3.78Å
99	K	92	Very high	76.2	Confident	79 Å²	79	77.5 Å²	77.5	34%	0.343	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	152.7	171.9	64.2	-167.6	173.1	-160.1	0	109.8	L115 P116 A117 E119	K99-L115 HydrophobicContact CG-CB 4.07Å; K99-L115 PolarHBondContact N-O 2.7Å; K99-L115 PolarHBondContact O-N 2.68Å; K99-P116 VanDerWaalsContact CE-O 3.25Å; K99-P116 WeakPolarHBondContact CE-O 3.37Å; K99-A117 PolarHBondContact NZ-O 3.22Å; K99-E119 WeakPolarHBondContact CE-O 3.38Å; K99-E119 PolarHBondContact NZ-O 3.25Å
100	V	93.5	Very high	78.6	Confident	48 Å²	48	75 Å²	75	29%	0.291	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	132.9	177.2	-179.1	0	0	0	0	109.3	E112 V113 A114 R289 E293	V100-E112 HydrophobicContact CG1-CB 3.95Å; V100-E112 HydrophobicContact CG1-CG 4.48Å; V100-V113 WeakPolarHBondContact CA-O 3.48Å; V100-A114 HydrophobicContact CG2-CB 4.32Å; V100-R289 HydrophobicContact CG1-CG 4.22Å; V100-R289 HydrophobicContact CG2-CG 4.03Å; V100-E293 HydrophobicContact CG2-CG 3.61Å
101	Q	94.6	Very high	80.5	Confident	89 Å²	89	72 Å²	72	42%	0.416	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.5	175.8	178.5	59.5	54.6	0	0	108.9	E112 V113 L115 Y121	Q101-E112 CarbonylContact O-C 3.53Å; Q101-E112 WeakPolarHBondContact O-CA 3.44Å; Q101-V113 HydrophobicContact CB-CG1 3.99Å; Q101-V113 PolarHBondContact N-O 3.07Å; Q101-V113 PolarHBondContact O-N 3.12Å; Q101-L115 HydrophobicContact CB-CD1 4.27Å; Q101-Y121 HydrophobicContact CB-CG 4.46Å; Q101-Y121 HydrophobicContact CG-CD1 3.79Å; Q101-Y121 HydrophobicContact CG-CD2 4.36Å; Q101-Y121 HydrophobicContact CG-CE1 4.09Å; Q101-Y121 HydrophobicContact CG-CG 3.92Å
102	S	92.9	Very high	82.4	Confident	74 Å²	74	72.9 Å²	72.9	52%	0.517	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.3	168.9	-50.2	0	0	0	0	109.9
103	V	91.6	Very high	84.1	Confident	30 Å²	30	69.8 Å²	69.8	18%	0.182	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.5	179.8	-173.8	0	0	0	0	108.1	T105 H111 V113 Y121	V103-T105 PolarHBondContact O-N 3.36Å; V103-H111 HydrophobicContact CB-CB 4.01Å; V103-H111 PolarHBondContact N-O 2.78Å; V103-V113 HydrophobicContact CG2-CG1 4.29Å; V103-Y121 WeakPolarHBondContact CG2-OH 3.43Å
104	E	86.8	Confident	85.8	Confident	196 Å²	196	64.1 Å²	64.1	92%	0.916	34%	0.343	S	S	*	.			trans	-73.4	124.2	-179.9	-66.9	-171.4	165	0	0	111.2
105	T	84.1	Confident	87.2	Confident	43 Å²	43	61.9 Å²	61.9	26%	0.264	33%	0.331	S	S	.	.			trans	-121.6	158.8	-178.7	36.4	0	0	0	0	113.4	V103 C109 H111 E145	V103-T105 PolarHBondContact O-N 3.36Å; T105-C109 PolarHBondContact OG1-O 3.39Å; T105-H111 HydrophobicContact CG2-CB 3.43Å; T105-H111 VanDerWaalsContact CG2-CB 3.43Å; T105-E145 HydrophobicContact CG2-CG 3.87Å
106	V	75.4	Confident	88.3	Confident	92 Å²	92	59 Å²	59	56%	0.558	32%	0.318	S	S	*	.	S	Bend	trans	-84.2	146	173.1	-171.8	0	0	0	0	110.4
107	E	67.6	Low	88.9	Confident	174 Å²	174	60.7 Å²	60.7	81%	0.813	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	20.9	110.5	167.1	-66.5	-176.5	169.1	0	0	118.7	C109	E107-C109 PolarHBondContact O-N 3.26Å; E107-C109 VanDerWaalsContact O-N 3.15Å
108	G	74.8	Confident	89.1	Confident	67 Å²	67	59.7 Å²	59.7	69%	0.691	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	2.9	163.1	0	0	0	0	0	116.2	T308	G108-T308 WeakPolarHBondContact O-CB 3.29Å; G108-T308 PolarHBondContact O-OG1 2.82Å
109	C	87.7	Confident	89.1	Confident	10 Å²	10	63 Å²	63	7%	0.068	35%	0.354	C	S	.	.			trans	-123.4	145.7	175.3	-173.7	0	0	0	0	110.8	T105 E107 F142 Y307	T105-C109 PolarHBondContact OG1-O 3.39Å; E107-C109 PolarHBondContact O-N 3.26Å; E107-C109 VanDerWaalsContact O-N 3.15Å; C109-F142 HydrophobicContact CB-CB 4.17Å; C109-F142 WeakPolarHBondContact SG-CB 3.48Å; C109-Y307 PolarHBondContact SG-O 2.85Å
110	T	92.9	Very high	88.9	Confident	81 Å²	81	67.6 Å²	67.6	50%	0.497	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.8	171.9	47.9	0	0	0	0	110.4	Y307	T110-Y307 PolarHBondContact N-O 3.35Å; T110-Y307 PolarHBondContact O-N 3.32Å; T110-Y307 PolarHBondContact OG1-O 3.38Å
111	H	95.8	Very high	88.8	Confident	4 Å²	4	68.7 Å²	68.7	2%	0.019	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.1	-179.1	-171.8	159.4	0	0	0	109.2	V103 T105 L124 E145 H304 V305 I306	V103-H111 HydrophobicContact CB-CB 4.01Å; V103-H111 PolarHBondContact N-O 2.78Å; T105-H111 HydrophobicContact CG2-CB 3.43Å; T105-H111 VanDerWaalsContact CG2-CB 3.43Å; H111-L124 VanDerWaalsContact CE1-CD1 3.49Å; H111-L124 WeakPolarHBondContact CE1-CD1 3.34Å; H111-E145 IonicContact CE1-OE2 3.87Å; H111-E145 IonicContact CG-OE2 3.42Å; H111-E145 IonicContact ND1-OE2 2.76Å; H111-E145 PolarHBondContact ND1-OE2 3.38Å; H111-H304 AromaticContact CD2-ND1 3.96Å; H111-H304 AromaticContact CE1-ND1 3.91Å; H111-H304 AromaticContact NE2-CE1 3.9Å; H111-H304 AromaticContact NE2-CG 3.92Å; H111-H304 AromaticContact NE2-ND1 2.96Å; H111-H304 PolarHBondContact NE2-ND1 2.64Å; H111-V305 WeakPolarHBondContact CA-O 3.36Å; H111-I306 HydrophobicContact CB-CD1 3.94Å; H111-I306 VanDerWaalsContact CG-CD1 3.41Å
112	E	96.4	Very high	88.6	Confident	40 Å²	40	70.1 Å²	70.1	19%	0.187	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	153.5	168	-63.4	-175.3	128.4	0	0	109.1	V100 Q101 R289 H304 V305	V100-E112 HydrophobicContact CG1-CB 3.95Å; V100-E112 HydrophobicContact CG1-CG 4.48Å; Q101-E112 CarbonylContact O-C 3.53Å; Q101-E112 WeakPolarHBondContact O-CA 3.44Å; E112-R289 IonicContact OE1-CZ 2.67Å; E112-R289 IonicContact OE1-NH1 2.82Å; E112-R289 PolarHBondContact OE1-NH1 3.12Å; E112-R289 WeakPolarHBondContact OE2-CB 3.27Å; E112-R289 WeakPolarHBondContact OE2-CD 3.44Å; E112-R289 IonicContact OE2-NH1 2.98Å; E112-R289 PolarHBondContact OE2-NH1 3.21Å; E112-H304 CarbonylContact O-C 3.55Å; E112-H304 WeakPolarHBondContact O-CA 3.28Å; E112-V305 HydrophobicContact CB-CB 4.43Å; E112-V305 PolarHBondContact N-O 3.31Å; E112-V305 PolarHBondContact O-N 3.05Å
113	V	96.9	Very high	88.6	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127.6	170.4	61.7	0	0	0	0	110.6	V100 Q101 V103 L115 Y121 P302	V100-V113 WeakPolarHBondContact CA-O 3.48Å; Q101-V113 HydrophobicContact CB-CG1 3.99Å; Q101-V113 PolarHBondContact N-O 3.07Å; Q101-V113 PolarHBondContact O-N 3.12Å; V103-V113 HydrophobicContact CG2-CG1 4.29Å; V113-L115 HydrophobicContact CG1-CD1 4.22Å; V113-L115 HydrophobicContact CG1-CD2 4.33Å; V113-L115 HydrophobicContact CG1-CG 4.18Å; V113-L115 HydrophobicContact CG2-CD2 3.77Å; V113-L115 HydrophobicContact CG2-CG 4.16Å; V113-Y121 HydrophobicContact CG1-CD2 3.96Å; V113-Y121 HydrophobicContact CG1-CE2 3.76Å; V113-P302 HydrophobicContact CG2-CB 4.27Å
114	A	96.8	Very high	88.6	Confident	2 Å²	2	70.3 Å²	70.3	2%	0.017	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130	168.1	0	0	0	0	0	109.4	V98 V100 A292 E293 C296 P302 C303	V98-A114 HydrophobicContact CG1-CB 4Å; V100-A114 HydrophobicContact CG2-CB 4.32Å; A114-A292 HydrophobicContact CB-CB 4.24Å; A114-E293 HydrophobicContact CB-CG 4.23Å; A114-C296 HydrophobicContact CB-CB 3.9Å; A114-P302 WeakPolarHBondContact O-CA 3.37Å; A114-C303 PolarHBondContact N-O 3.44Å; A114-C303 PolarHBondContact O-N 3.05Å
115	L	94.4	Very high	88.8	Confident	7 Å²	7	67.5 Å²	67.5	4%	0.037	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.4	-174.3	-60.1	167.6	0	0	0	110.1	V98 K99 Q101 V113 A117 Y121 P302	V98-L115 WeakPolarHBondContact CA-O 3.49Å; V98-L115 WeakPolarHBondContact CG1-O 3.4Å; K99-L115 HydrophobicContact CG-CB 4.07Å; K99-L115 PolarHBondContact N-O 2.7Å; K99-L115 PolarHBondContact O-N 2.68Å; Q101-L115 HydrophobicContact CB-CD1 4.27Å; V113-L115 HydrophobicContact CG1-CD1 4.22Å; V113-L115 HydrophobicContact CG1-CD2 4.33Å; V113-L115 HydrophobicContact CG1-CG 4.18Å; V113-L115 HydrophobicContact CG2-CD2 3.77Å; V113-L115 HydrophobicContact CG2-CG 4.16Å; L115-A117 PolarHBondContact O-N 2.82Å; L115-Y121 HydrophobicContact CD1-CD2 3.85Å; L115-Y121 HydrophobicContact CD1-CG 4.16Å; L115-P302 HydrophobicContact CD2-CB 3.89Å; L115-P302 HydrophobicContact CD2-CG 3.92Å
116	P	91.9	Very high	89.1	Confident	12 Å²	12	70.4 Å²	70.4	8%	0.078	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	138.5	165.8	-23.6	34.9	0	0	0	110.1	K99 D118 E119 C296	K99-P116 VanDerWaalsContact CE-O 3.25Å; K99-P116 WeakPolarHBondContact CE-O 3.37Å; P116-D118 WeakPolarHBondContact CB-OD1 3.33Å; P116-D118 PolarHBondContact O-N 3.12Å; P116-E119 HydrophobicContact CB-CB 4.38Å; P116-E119 HydrophobicContact CB-CG 4.06Å; P116-E119 WeakPolarHBondContact CD-OE2 3.49Å; P116-E119 HydrophobicContact CG-CG 4.12Å; P116-E119 WeakPolarHBondContact CG-OE2 3.43Å; P116-E119 PolarHBondContact O-N 3.49Å; P116-E119 VanDerWaalsContact O-N 3.15Å; P116-C296 VanDerWaalsContact CD-SG 3.55Å; P116-C296 VanDerWaalsContact N-SG 3.38Å
117	A	87.8	Confident	89.7	Confident	47 Å²	47	71.4 Å²	71.4	39%	0.388	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.4	-173.5	0	0	0	0	0	113.4	R97 K99 L115	R97-A117 HydrophobicContact CB-CB 4.18Å; R97-A117 VanDerWaalsContact O-CB 3.3Å; R97-A117 WeakPolarHBondContact O-CB 3.46Å; R97-A117 PolarHBondContact O-N 3.44Å; K99-A117 PolarHBondContact NZ-O 3.22Å; L115-A117 PolarHBondContact O-N 2.82Å
118	D	88.5	Confident	90.5	Very high	143 Å²	143	69.9 Å²	69.9	77%	0.765	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-19.9	-179.6	49.1	-38.2	0	0	0	115.2	P116	P116-D118 WeakPolarHBondContact CB-OD1 3.33Å; P116-D118 PolarHBondContact O-N 3.12Å
119	E	88.8	Confident	91.1	Very high	84 Å²	84	69.9 Å²	69.9	39%	0.393	39%	0.385	S	S	.	.	S	Bend	trans	-86.1	129.9	179	-70.4	-168.9	150	0	0	112.7	K99 P116	K99-E119 WeakPolarHBondContact CE-O 3.38Å; K99-E119 PolarHBondContact NZ-O 3.25Å; P116-E119 HydrophobicContact CB-CB 4.38Å; P116-E119 HydrophobicContact CB-CG 4.06Å; P116-E119 WeakPolarHBondContact CD-OE2 3.49Å; P116-E119 HydrophobicContact CG-CG 4.12Å; P116-E119 WeakPolarHBondContact CG-OE2 3.43Å; P116-E119 PolarHBondContact O-N 3.49Å; P116-E119 VanDerWaalsContact O-N 3.15Å
120	E	88.6	Confident	91.2	Very high	177 Å²	177	77.3 Å²	77.3	83%	0.827	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-71.6	142.1	172.8	-67.7	-166.7	158.9	0	0	111.9	I122	E120-I122 PolarHBondContact O-N 3.15Å
121	Y	90.9	Very high	91.1	Very high	70 Å²	70	74.5 Å²	74.5	28%	0.275	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-70.2	118.5	177.3	174.1	-117.4	0	0	0	110.9	Q101 V103 V113 L115 P123	Q101-Y121 HydrophobicContact CB-CG 4.46Å; Q101-Y121 HydrophobicContact CG-CD1 3.79Å; Q101-Y121 HydrophobicContact CG-CD2 4.36Å; Q101-Y121 HydrophobicContact CG-CE1 4.09Å; Q101-Y121 HydrophobicContact CG-CG 3.92Å; V103-Y121 WeakPolarHBondContact CG2-OH 3.43Å; V113-Y121 HydrophobicContact CG1-CD2 3.96Å; V113-Y121 HydrophobicContact CG1-CE2 3.76Å; L115-Y121 HydrophobicContact CD1-CD2 3.85Å; L115-Y121 HydrophobicContact CD1-CG 4.16Å; Y121-P123 HydrophobicContact CE1-CB 4.47Å; Y121-P123 HydrophobicContact CE1-CG 3.98Å
122	I	90.4	Very high	91	Very high	120 Å²	120	75.4 Å²	75.4	62%	0.615	41%	0.409	S	S	*	.			trans	-105.1	122.7	170.3	-57.5	176.5	0	0	0	107.8	E120	E120-I122 PolarHBondContact O-N 3.15Å
123	P	92.2	Very high	90.9	Very high	87 Å²	87	74.8 Å²	74.8	57%	0.565	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-56.9	142.8	175.3	-27	35.4	0	0	0	113.1	Y121 K125	Y121-P123 HydrophobicContact CE1-CB 4.47Å; Y121-P123 HydrophobicContact CE1-CG 3.98Å; P123-K125 PolarHBondContact O-N 2.95Å
124	L	92.5	Very high	90.7	Very high	21 Å²	21	81.6 Å²	81.6	11%	0.11	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-54.3	128.6	177.5	-76.2	165.6	0	0	0	111.1	H111 Q148 N152	H111-L124 VanDerWaalsContact CE1-CD1 3.49Å; H111-L124 WeakPolarHBondContact CE1-CD1 3.34Å; L124-Q148 HydrophobicContact CB-CG 4.12Å; L124-Q148 HydrophobicContact CD1-CG 4.41Å; L124-Q148 PolarHBondContact O-NE2 2.59Å; L124-N152 HydrophobicContact CD2-CB 3.6Å
125	K	91.3	Very high	90.5	Very high	137 Å²	137	83.2 Å²	83.2	60%	0.596	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-73.8	141.1	179.5	-62.8	161.4	-172.2	159.8	0	109.2	P123 Q148 N152	P123-K125 PolarHBondContact O-N 2.95Å; K125-Q148 PolarHBondContact O-NE2 2.9Å; K125-N152 WeakPolarHBondContact CB-OD1 3.48Å; K125-N152 PolarHBondContact N-OD1 2.8Å; K125-N152 PolarHBondContact O-ND2 2.95Å
126	P	89.9	Confident	90.4	Very high	104 Å²	104	89.1 Å²	89.1	68%	0.675	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-58.8	143.1	167.3	-22.8	33.9	0	0	0	110.6	V128	P126-V128 PolarHBondContact O-N 3.45Å
127	R	88.1	Confident	90.3	Very high	112 Å²	112	93.2 Å²	93.2	42%	0.423	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-54.6	130.9	-179.8	175.9	174.8	54.7	-122.3	5.8	111.5	D151 Y172	R127-D151 VanDerWaalsContact CD-OD2 3.28Å; R127-D151 WeakPolarHBondContact CD-OD2 3.41Å; R127-D151 IonicContact CZ-OD2 3.82Å; R127-D151 IonicContact NE-OD2 3.95Å; R127-D151 IonicContact NH1-OD2 2.92Å; R127-D151 PolarHBondContact NH1-OD2 3.46Å; R127-Y172 PolarHBondContact NH1-OH 2.82Å
128	V	84.6	Confident	90.4	Very high	143 Å²	143	98.3 Å²	98.3	87%	0.867	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-95.9	120.5	171.1	-177.4	0	0	0	0	109.2	P126	P126-V128 PolarHBondContact O-N 3.45Å
129	G	86.4	Confident	90.6	Very high	66 Å²	66	93.3 Å²	93.3	68%	0.68	49%	0.491	S	S	*	.	S	Bend	trans	90.5	-159.2	179.5	0	0	0	0	0	114.4
130	K	89.4	Confident	90.7	Very high	166 Å²	166	90.6 Å²	90.6	72%	0.722	48%	0.48	S	S	*	.	S	Bend	trans	-77.3	155.3	180	-70.5	-165.5	173.7	-163.1	0	111.8
131	A	91.9	Very high	90.8	Very high	22 Å²	22	83.2 Å²	83.2	18%	0.182	45%	0.449	C	S	.	.			trans	-56.8	148.5	167.8	0	0	0	0	0	110.9	K133 E134 Y172	A131-K133 WeakPolarHBondContact CB-O 3.26Å; A131-E134 HydrophobicContact CB-CG 4.14Å; A131-Y172 HydrophobicContact CB-CE2 4.16Å
132	A	92.6	Very high	90.9	Very high	24 Å²	24	80.1 Å²	80.1	20%	0.198	44%	0.437	C	S	.	.	S	Bend	trans	-67.8	-39.5	171	0	0	0	0	0	111.6	Y172 A175 L176	A132-Y172 HydrophobicContact CB-CD1 4.45Å; A132-Y172 HydrophobicContact CB-CD2 4.38Å; A132-Y172 HydrophobicContact CB-CE1 3.97Å; A132-Y172 HydrophobicContact CB-CE2 3.91Å; A132-Y172 PolarHBondContact N-OH 2.91Å; A132-A175 HydrophobicContact CB-CB 4.03Å; A132-L176 HydrophobicContact CB-CB 4.03Å
133	K	94.4	Very high	91.1	Very high	26 Å²	26	74.4 Å²	74.4	11%	0.113	41%	0.408	C	S	.	.	S	Bend	trans	-134.5	142	171.5	-179.9	163.2	165.5	55	0	110.3	A131 Y135 E171 Y172 A175 E204 F205	A131-K133 WeakPolarHBondContact CB-O 3.26Å; K133-Y135 HydrophobicContact CB-CE2 4.18Å; K133-Y135 HydrophobicContact CD-CE1 4.11Å; K133-Y135 HydrophobicContact CG-CE1 4.19Å; K133-Y135 HydrophobicContact CG-CE2 3.99Å; K133-E171 HydrophobicContact CD-CB 4.11Å; K133-E171 WeakPolarHBondContact CE-OE2 3.41Å; K133-Y172 HydrophobicContact CB-CD2 4.28Å; K133-A175 HydrophobicContact CB-CB 3.72Å; K133-E204 IonicContact NZ-OE1 2.68Å; K133-E204 PolarHBondContact NZ-OE1 3.26Å; K133-E204 IonicContact NZ-OE2 2.7Å; K133-E204 PolarHBondContact NZ-OE2 3.17Å; K133-F205 HydrophobicContact CD-CE1 4.4Å; K133-F205 HydrophobicContact CD-CZ 4.08Å
134	E	93	Very high	91.2	Very high	143 Å²	143	76 Å²	76	67%	0.668	40%	0.402	S	S	*	.			trans	-106	153.4	172	-67	-179.5	-173.5	0	0	109.5	A131	A131-E134 HydrophobicContact CB-CG 4.14Å
135	Y	93.1	Very high	91.2	Very high	36 Å²	36	76.6 Å²	76.6	14%	0.141	41%	0.405	C	S	.	.			trans	-127.8	145.1	-172.3	-63.2	-90.3	0	0	0	110.7	K133 F137 L139 V168 E171 Y172	K133-Y135 HydrophobicContact CB-CE2 4.18Å; K133-Y135 HydrophobicContact CD-CE1 4.11Å; K133-Y135 HydrophobicContact CG-CE1 4.19Å; K133-Y135 HydrophobicContact CG-CE2 3.99Å; Y135-F137 HydrophobicContact CD1-CE1 4.37Å; Y135-F137 HydrophobicContact CD1-CE2 4.3Å; Y135-F137 AromaticContact CD1-CZ 3.78Å; Y135-F137 HydrophobicContact CD1-CZ 3.78Å; Y135-F137 HydrophobicContact CG-CE2 4.4Å; Y135-F137 HydrophobicContact CG-CZ 4.27Å; Y135-F137 PolarHBondContact O-N 2.98Å; Y135-L139 HydrophobicContact CD2-CD1 4.37Å; Y135-L139 HydrophobicContact CD2-CD2 3.93Å; Y135-L139 HydrophobicContact CD2-CG 4.49Å; Y135-L139 HydrophobicContact CE2-CD2 4.45Å; Y135-L139 HydrophobicContact CG-CD2 4.14Å; Y135-V168 HydrophobicContact CD1-CG1 4.31Å; Y135-V168 HydrophobicContact CE1-CB 4.35Å; Y135-V168 HydrophobicContact CE1-CG1 3.81Å; Y135-V168 HydrophobicContact CE1-CG2 4.26Å; Y135-V168 HydrophobicContact CE2-CG1 4.17Å; Y135-V168 PolarHBondContact OH-O 3.24Å; Y135-E171 WeakPolarHBondContact CE1-OE2 3.38Å; Y135-Y172 HydrophobicContact CE2-CD2 4.3Å; Y135-Y172 PolarHBondContact OH-N 3.33Å
136	P	91.6	Very high	91.5	Very high	132 Å²	132	70 Å²	70	86%	0.857	38%	0.376	S	S	*	.	S	Bend	trans	-76.2	1.9	-179.2	31.6	-35.1	0	0	0	113.8
137	F	90.2	Very high	91.8	Very high	98 Å²	98	65.3 Å²	65.3	43%	0.43	35%	0.345	S	S	.	.	S	Bend	trans	-129.5	157.9	179.7	50.6	-98.9	0	0	0	111	Y135 L139 V168	Y135-F137 HydrophobicContact CD1-CE1 4.37Å; Y135-F137 HydrophobicContact CD1-CE2 4.3Å; Y135-F137 AromaticContact CD1-CZ 3.78Å; Y135-F137 HydrophobicContact CD1-CZ 3.78Å; Y135-F137 HydrophobicContact CG-CE2 4.4Å; Y135-F137 HydrophobicContact CG-CZ 4.27Å; Y135-F137 PolarHBondContact O-N 2.98Å; F137-L139 HydrophobicContact CE2-CD2 4.07Å; F137-V168 HydrophobicContact CE2-CG2 4.13Å; F137-V168 HydrophobicContact CZ-CG2 3.84Å
138	I	90.9	Very high	92.1	Very high	154 Å²	154	62.6 Å²	62.6	79%	0.79	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-70.2	130.6	174.6	-58.5	174.2	0	0	0	108.7
139	L	91.6	Very high	92.7	Very high	37 Å²	37	55.8 Å²	55.8	19%	0.194	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-73	128.8	179	-66	173.7	0	0	0	111.7	Y135 F137 Q143 R144 I147 V168	Y135-L139 HydrophobicContact CD2-CD1 4.37Å; Y135-L139 HydrophobicContact CD2-CD2 3.93Å; Y135-L139 HydrophobicContact CD2-CG 4.49Å; Y135-L139 HydrophobicContact CE2-CD2 4.45Å; Y135-L139 HydrophobicContact CG-CD2 4.14Å; F137-L139 HydrophobicContact CE2-CD2 4.07Å; L139-Q143 HydrophobicContact CB-CB 4.33Å; L139-Q143 HydrophobicContact CD2-CB 4.33Å; L139-R144 HydrophobicContact CB-CG 3.6Å; L139-R144 HydrophobicContact CD1-CG 4.25Å; L139-R144 PolarHBondContact O-NE 3.4Å; L139-I147 HydrophobicContact CD1-CD1 3.89Å; L139-V168 HydrophobicContact CD2-CG1 3.61Å
140	D	91.1	Very high	93.2	Very high	28 Å²	28	52.6 Å²	52.6	15%	0.15	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-59.2	155.3	173.9	-62.1	-41.7	0	0	0	110.1	F142 Q143 R144 R526	D140-F142 VanDerWaalsContact C-N 3.35Å; D140-F142 HydrophobicContact CB-CD1 3.77Å; D140-F142 HydrophobicContact CB-CE1 3.67Å; D140-F142 PolarHBondContact O-N 3.08Å; D140-Q143 HydrophobicContact CB-CG 4.2Å; D140-Q143 WeakPolarHBondContact O-CB 3.27Å; D140-Q143 PolarHBondContact O-N 2.85Å; D140-R144 PolarHBondContact O-N 3.14Å; D140-R526 VanDerWaalsContact CG-NH2 3.34Å; D140-R526 IonicContact OD1-NH2 3.11Å; D140-R526 PolarHBondContact OD1-NH2 3.29Å; D140-R526 VanDerWaalsContact OD1-NH2 3.08Å; D140-R526 IonicContact OD2-CZ 3.54Å; D140-R526 VanDerWaalsContact OD2-CZ 3.27Å; D140-R526 IonicContact OD2-NH1 3.98Å; D140-R526 PolarHBondContact OD2-NH1 2.88Å; D140-R526 IonicContact OD2-NH2 2.82Å; D140-R526 PolarHBondContact OD2-NH2 3.44Å
141	A	91.3	Very high	93.5	Very high	22 Å²	22	46.4 Å²	46.4	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-54.2	-49	-174.3	0	0	0	0	0	112.5	Q143 R144 E145	A141-Q143 VanDerWaalsContact C-N 3.28Å; A141-Q143 PolarHBondContact O-N 3.15Å; A141-R144 PolarHBondContact O-N 3.13Å; A141-R144 VanDerWaalsContact O-N 3.13Å; A141-E145 PolarHBondContact O-N 2.95Å; A141-E145 VanDerWaalsContact O-N 3.15Å
142	F	93.2	Very high	93.6	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-61.6	-32.4	178.8	84.8	-88.1	0	0	0	113.4	C109 D140 A146 V158 A160 A164 I306 T308	C109-F142 HydrophobicContact CB-CB 4.17Å; C109-F142 WeakPolarHBondContact SG-CB 3.48Å; D140-F142 VanDerWaalsContact C-N 3.35Å; D140-F142 HydrophobicContact CB-CD1 3.77Å; D140-F142 HydrophobicContact CB-CE1 3.67Å; D140-F142 PolarHBondContact O-N 3.08Å; F142-A146 WeakPolarHBondContact O-CB 3.44Å; F142-A146 PolarHBondContact O-N 3.08Å; F142-A146 VanDerWaalsContact O-N 3.08Å; F142-V158 HydrophobicContact CD2-CG1 3.92Å; F142-V158 HydrophobicContact CE2-CG1 3.93Å; F142-A160 HydrophobicContact CE2-CB 4.4Å; F142-A164 HydrophobicContact CE1-CB 4.19Å; F142-A164 HydrophobicContact CZ-CB 3.87Å; F142-A164 WeakPolarHBondContact CZ-O 3.08Å; F142-I306 HydrophobicContact CB-CG2 3.78Å; F142-T308 HydrophobicContact CB-CG2 3.89Å; F142-T308 HydrophobicContact CD1-CG2 3.83Å; F142-T308 HydrophobicContact CD2-CG2 4.27Å; F142-T308 HydrophobicContact CE1-CG2 4.46Å; F142-T308 HydrophobicContact CG-CG2 3.72Å
143	Q	94.3	Very high	93.8	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-68.8	-38.9	177	-65.1	174.6	-33.6	0	0	110.8	L139 D140 A141 I147 G165 V168	L139-Q143 HydrophobicContact CB-CB 4.33Å; L139-Q143 HydrophobicContact CD2-CB 4.33Å; D140-Q143 HydrophobicContact CB-CG 4.2Å; D140-Q143 WeakPolarHBondContact O-CB 3.27Å; D140-Q143 PolarHBondContact O-N 2.85Å; A141-Q143 VanDerWaalsContact C-N 3.28Å; A141-Q143 PolarHBondContact O-N 3.15Å; Q143-I147 VanDerWaalsContact O-CB 3.27Å; Q143-I147 WeakPolarHBondContact O-CB 3.45Å; Q143-I147 VanDerWaalsContact O-CG1 3.26Å; Q143-I147 WeakPolarHBondContact O-CG1 3.33Å; Q143-I147 PolarHBondContact O-N 2.92Å; Q143-G165 PolarHBondContact NE2-O 3.18Å; Q143-V168 HydrophobicContact CG-CG1 4.5Å
144	R	93.3	Very high	93.9	Very high	119 Å²	119	50.8 Å²	50.8	45%	0.449	26%	0.255	S	S	.	.	H	α-helix	trans	-67	-42.8	178.1	-69.1	-176.5	-83	119.5	-5.6	112	L139 D140 A141 I147 Q148	L139-R144 HydrophobicContact CB-CG 3.6Å; L139-R144 HydrophobicContact CD1-CG 4.25Å; L139-R144 PolarHBondContact O-NE 3.4Å; D140-R144 PolarHBondContact O-N 3.14Å; A141-R144 PolarHBondContact O-N 3.13Å; A141-R144 VanDerWaalsContact O-N 3.13Å; R144-I147 PolarHBondContact O-N 3.29Å; R144-Q148 WeakPolarHBondContact O-CB 3.38Å; R144-Q148 PolarHBondContact O-N 3.45Å
145	E	94.3	Very high	94.1	Very high	34 Å²	34	44 Å²	44	16%	0.159	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-49.5	174.5	-64.4	-62.4	128.3	0	0	111.9	T105 H111 A141 I147 Q148 C149 I306	T105-E145 HydrophobicContact CG2-CG 3.87Å; H111-E145 IonicContact CE1-OE2 3.87Å; H111-E145 IonicContact CG-OE2 3.42Å; H111-E145 IonicContact ND1-OE2 2.76Å; H111-E145 PolarHBondContact ND1-OE2 3.38Å; A141-E145 PolarHBondContact O-N 2.95Å; A141-E145 VanDerWaalsContact O-N 3.15Å; E145-I147 PolarHBondContact O-N 3.33Å; E145-Q148 PolarHBondContact O-N 2.9Å; E145-Q148 VanDerWaalsContact O-N 3.15Å; E145-C149 PolarHBondContact O-N 3.49Å; E145-C149 VanDerWaalsContact O-N 3.12Å; E145-C149 PolarHBondContact O-SG 3Å; E145-I306 HydrophobicContact CB-CD1 3.77Å; E145-I306 HydrophobicContact CB-CG1 4.4Å; E145-I306 HydrophobicContact CB-CG2 4.48Å
146	A	95.8	Very high	94.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-41.8	179.1	0	0	0	0	0	112.3	F142 Q148 C149 V150 V156 V158 C169 I306	F142-A146 WeakPolarHBondContact O-CB 3.44Å; F142-A146 PolarHBondContact O-N 3.08Å; F142-A146 VanDerWaalsContact O-N 3.08Å; A146-Q148 VanDerWaalsContact C-N 3.31Å; A146-Q148 PolarHBondContact O-N 3.24Å; A146-C149 WeakPolarHBondContact O-CB 3.43Å; A146-C149 PolarHBondContact O-N 3.29Å; A146-V150 PolarHBondContact O-N 3.12Å; A146-V156 HydrophobicContact CB-CG2 4.34Å; A146-V158 HydrophobicContact CB-CG2 3.71Å; A146-C169 HydrophobicContact CB-CB 4.42Å; A146-I306 HydrophobicContact CB-CG1 4.17Å
147	I	96.4	Very high	94.7	Very high	5 Å²	5	36 Å²	36	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-36.2	174.3	-77.2	169.7	0	0	0	111.5	L139 Q143 R144 E145 C149 V150 D151 V168 Y172	L139-I147 HydrophobicContact CD1-CD1 3.89Å; Q143-I147 VanDerWaalsContact O-CB 3.27Å; Q143-I147 WeakPolarHBondContact O-CB 3.45Å; Q143-I147 VanDerWaalsContact O-CG1 3.26Å; Q143-I147 WeakPolarHBondContact O-CG1 3.33Å; Q143-I147 PolarHBondContact O-N 2.92Å; R144-I147 PolarHBondContact O-N 3.29Å; E145-I147 PolarHBondContact O-N 3.33Å; I147-C149 VanDerWaalsContact C-N 3.35Å; I147-C149 PolarHBondContact O-N 3.04Å; I147-V150 PolarHBondContact O-N 3.13Å; I147-D151 WeakPolarHBondContact O-CB 3.3Å; I147-D151 PolarHBondContact O-N 3.44Å; I147-V168 HydrophobicContact CD1-CG1 4.21Å; I147-Y172 HydrophobicContact CB-CD1 4.43Å; I147-Y172 HydrophobicContact CB-CG 4.49Å; I147-Y172 HydrophobicContact CD1-CD2 4.05Å; I147-Y172 HydrophobicContact CD1-CG 4.11Å; I147-Y172 HydrophobicContact CG1-CD1 4.16Å; I147-Y172 HydrophobicContact CG1-CD2 4.2Å; I147-Y172 HydrophobicContact CG1-CG 3.82Å; I147-Y172 HydrophobicContact CG2-CD1 3.88Å; I147-Y172 HydrophobicContact CG2-CD2 4.04Å; I147-Y172 HydrophobicContact CG2-CE1 3.71Å; I147-Y172 HydrophobicContact CG2-CE2 3.86Å; I147-Y172 HydrophobicContact CG2-CG 4.04Å
148	Q	95.3	Very high	95	Very high	54 Å²	54	31.3 Å²	31.3	25%	0.252	16%	0.155	S	C	.	.	H	α-helix	trans	-67.6	-33.7	176.3	-171.8	172.6	-15.1	0	0	112.5	L124 K125 R144 E145 A146 N152	L124-Q148 HydrophobicContact CB-CG 4.12Å; L124-Q148 HydrophobicContact CD1-CG 4.41Å; L124-Q148 PolarHBondContact O-NE2 2.59Å; K125-Q148 PolarHBondContact O-NE2 2.9Å; R144-Q148 WeakPolarHBondContact O-CB 3.38Å; R144-Q148 PolarHBondContact O-N 3.45Å; E145-Q148 PolarHBondContact O-N 2.9Å; E145-Q148 VanDerWaalsContact O-N 3.15Å; A146-Q148 VanDerWaalsContact C-N 3.31Å; A146-Q148 PolarHBondContact O-N 3.24Å; Q148-N152 PolarHBondContact O-N 3.43Å; Q148-N152 PolarHBondContact O-ND2 3.08Å
149	C	96.3	Very high	95.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.5	-45	171.4	-55.5	0	0	0	0	111.1	E145 A146 I147 N152 N153 Q154 V156 H304	E145-C149 PolarHBondContact O-N 3.49Å; E145-C149 VanDerWaalsContact O-N 3.12Å; E145-C149 PolarHBondContact O-SG 3Å; A146-C149 WeakPolarHBondContact O-CB 3.43Å; A146-C149 PolarHBondContact O-N 3.29Å; I147-C149 VanDerWaalsContact C-N 3.35Å; I147-C149 PolarHBondContact O-N 3.04Å; C149-N152 CarbonylContact O-C 3.6Å; C149-N152 PolarHBondContact O-N 2.89Å; C149-N152 VanDerWaalsContact O-N 3.12Å; C149-N153 PolarHBondContact O-N 2.96Å; C149-Q154 PolarHBondContact O-N 2.95Å; C149-V156 HydrophobicContact CB-CB 4.06Å; C149-V156 HydrophobicContact CB-CG1 4.43Å; C149-V156 HydrophobicContact CB-CG2 4.38Å; C149-H304 PolarHBondContact SG-ND1 2.98Å
150	V	96.7	Very high	95.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.4	-43.4	177.2	174.7	0	0	0	0	111.8	A146 I147 N152 N153 V156 Y172 A173 L176 W247 V279	A146-V150 PolarHBondContact O-N 3.12Å; I147-V150 PolarHBondContact O-N 3.13Å; V150-N152 PolarHBondContact O-N 2.92Å; V150-N152 VanDerWaalsContact O-N 3.12Å; V150-N153 PolarHBondContact O-N 2.78Å; V150-V156 HydrophobicContact CG2-CG1 4Å; V150-Y172 HydrophobicContact CB-CD1 4.41Å; V150-Y172 HydrophobicContact CG1-CD1 3.93Å; V150-Y172 HydrophobicContact CG1-CE1 4.42Å; V150-A173 HydrophobicContact CG1-CB 4.01Å; V150-L176 HydrophobicContact CG1-CD2 3.59Å; V150-L176 WeakPolarHBondContact O-CD2 3.42Å; V150-W247 HydrophobicContact CB-CH2 4.27Å; V150-W247 HydrophobicContact CG1-CH2 4.12Å; V150-W247 HydrophobicContact CG1-CZ2 4.05Å; V150-W247 HydrophobicContact CG2-CH2 4.1Å; V150-W247 HydrophobicContact CG2-CZ3 4.29Å; V150-V279 HydrophobicContact CG2-CG2 4.03Å
151	D	95.6	Very high	95.1	Very high	36 Å²	36	22.3 Å²	22.3	19%	0.193	11%	0.108	C	C	.	.	H	α-helix	trans	-60.4	-17.4	172.3	-85.4	-36.6	0	0	0	113.3	R127 I147 Y172	R127-D151 VanDerWaalsContact CD-OD2 3.28Å; R127-D151 WeakPolarHBondContact CD-OD2 3.41Å; R127-D151 IonicContact CZ-OD2 3.82Å; R127-D151 IonicContact NE-OD2 3.95Å; R127-D151 IonicContact NH1-OD2 2.92Å; R127-D151 PolarHBondContact NH1-OD2 3.46Å; I147-D151 WeakPolarHBondContact O-CB 3.3Å; I147-D151 PolarHBondContact O-N 3.44Å; D151-Y172 VanDerWaalsContact OD1-CE1 3.29Å; D151-Y172 WeakPolarHBondContact OD1-CE1 3.34Å; D151-Y172 PolarHBondContact OD1-OH 3.17Å; D151-Y172 PolarHBondContact OD2-OH 3.48Å; D151-Y172 VanDerWaalsContact OD2-OH 3.09Å
152	N	95.1	Very high	94.6	Very high	37 Å²	37	23.4 Å²	23.4	20%	0.198	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	3.8	176.6	-81.1	-98	0	0	0	113.7	L124 K125 Q148 C149 V150	L124-N152 HydrophobicContact CD2-CB 3.6Å; K125-N152 WeakPolarHBondContact CB-OD1 3.48Å; K125-N152 PolarHBondContact N-OD1 2.8Å; K125-N152 PolarHBondContact O-ND2 2.95Å; Q148-N152 PolarHBondContact O-N 3.43Å; Q148-N152 PolarHBondContact O-ND2 3.08Å; C149-N152 CarbonylContact O-C 3.6Å; C149-N152 PolarHBondContact O-N 2.89Å; C149-N152 VanDerWaalsContact O-N 3.12Å; V150-N152 PolarHBondContact O-N 2.92Å; V150-N152 VanDerWaalsContact O-N 3.12Å
153	N	95.6	Very high	93.8	Very high	85 Å²	85	24.6 Å²	24.6	46%	0.455	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	47	-172.6	-63.7	-18.8	0	0	0	113.2	C149 V150 H277	C149-N153 PolarHBondContact O-N 2.96Å; V150-N153 PolarHBondContact O-N 2.78Å; N153-H277 PolarHBondContact O-CE1 2.98Å
154	Q	96.6	Very high	93.3	Very high	42 Å²	42	24.5 Å²	24.5	20%	0.196	12%	0.121	C	C	.	.			trans	-121.4	137.6	174.5	-63.7	-177.9	-61.3	0	0	110.5	C149 P302 H304	C149-Q154 PolarHBondContact O-N 2.95Å; Q154-P302 HydrophobicContact CG-CB 4.44Å; Q154-H304 WeakPolarHBondContact CB-NE2 3.25Å; Q154-H304 PolarHBondContact OE1-NE2 3.41Å
155	S	98.3	Very high	92.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	144.7	-176.4	-72	0	0	0	0	111.6	Y278 Q301 P302 C303 H304	S155-Y278 CarbonylContact C-O 3.57Å; S155-Y278 VanDerWaalsContact CA-O 3.31Å; S155-Y278 WeakPolarHBondContact CA-O 3.24Å; S155-Y278 WeakPolarHBondContact OG-CD2 3.21Å; S155-Y278 PolarHBondContact OG-N 2.82Å; S155-Q301 PolarHBondContact OG-OE1 3.03Å; S155-P302 PolarHBondContact N-O 3.32Å; S155-C303 CarbonylContact O-C 3.53Å; S155-C303 WeakPolarHBondContact O-CA 3.48Å; S155-H304 PolarHBondContact O-CD2 2.93Å; S155-H304 PolarHBondContact O-N 3Å
156	V	98.3	Very high	92.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	133.5	-174.1	61.5	0	0	0	0	113.8	A146 C149 V150 V158 Y278 V279 F280 H304 I306	A146-V156 HydrophobicContact CB-CG2 4.34Å; C149-V156 HydrophobicContact CB-CB 4.06Å; C149-V156 HydrophobicContact CB-CG1 4.43Å; C149-V156 HydrophobicContact CB-CG2 4.38Å; V150-V156 HydrophobicContact CG2-CG1 4Å; V156-V158 HydrophobicContact CG2-CG2 4.17Å; V156-Y278 PolarHBondContact N-O 3.05Å; V156-V279 HydrophobicContact CG1-CG1 4.4Å; V156-V279 HydrophobicContact CG1-CG2 4.19Å; V156-V279 WeakPolarHBondContact O-CA 3.44Å; V156-F280 PolarHBondContact O-N 3.22Å; V156-H304 HydrophobicContact CB-CB 4.2Å; V156-H304 HydrophobicContact CG2-CB 4.03Å; V156-I306 HydrophobicContact CG2-CG1 3.73Å
157	L	98.4	Very high	92.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.7	165.8	170.1	64	0	0	0	109.5	I253 F280 A288 F291 H304 V305 I306	L157-I253 HydrophobicContact CD1-CG2 4.17Å; L157-F280 WeakPolarHBondContact CA-O 3.28Å; L157-F280 HydrophobicContact CB-CB 4.34Å; L157-F280 HydrophobicContact CD1-CB 3.7Å; L157-A288 HydrophobicContact CD2-CB 3.81Å; L157-A288 WeakPolarHBondContact CD2-O 3.34Å; L157-F291 HydrophobicContact CD2-CB 4.43Å; L157-F291 HydrophobicContact CD2-CD1 4Å; L157-H304 PolarHBondContact N-O 2.89Å; L157-V305 HydrophobicContact CD2-CG2 4.37Å; L157-I306 PolarHBondContact O-N 2.93Å
158	V	97.4	Very high	92.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	103.8	172.9	-175.9	0	0	0	0	108.9	F142 A146 V156 K166 C169 F280 L281 S282	F142-V158 HydrophobicContact CD2-CG1 3.92Å; F142-V158 HydrophobicContact CE2-CG1 3.93Å; A146-V158 HydrophobicContact CB-CG2 3.71Å; V156-V158 HydrophobicContact CG2-CG2 4.17Å; V158-K166 HydrophobicContact CG1-CD 4.41Å; V158-K166 HydrophobicContact CG1-CG 4.36Å; V158-C169 HydrophobicContact CG2-CB 4.34Å; V158-F280 PolarHBondContact N-O 3.43Å; V158-L281 HydrophobicContact CB-CD2 4.13Å; V158-L281 HydrophobicContact CG2-CD2 4.32Å; V158-S282 PolarHBondContact O-N 2.79Å
159	S	95.6	Very high	92.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	100.4	179.7	-173.2	0	0	0	0	109.9	A283 T284 I285 I306 Y307 T308	S159-A283 PolarHBondContact OG-O 3.18Å; S159-T284 WeakPolarHBondContact OG-CA 3.28Å; S159-I285 WeakPolarHBondContact OG-CG1 3.22Å; S159-I285 PolarHBondContact OG-N 3.33Å; S159-I306 PolarHBondContact N-O 3.44Å; S159-Y307 WeakPolarHBondContact O-CA 3.36Å; S159-Y307 WeakPolarHBondContact OG-CD2 3.44Å; S159-T308 PolarHBondContact O-N 3.13Å; S159-T308 VanDerWaalsContact O-N 3.12Å
160	A	91.8	Very high	92.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	162	-175.9	0	0	0	0	0	111.1	F142 A164 K166 S282 A283 T308	F142-A160 HydrophobicContact CE2-CB 4.4Å; A160-A164 HydrophobicContact CB-CB 3.92Å; A160-K166 HydrophobicContact CB-CD 4.3Å; A160-K166 HydrophobicContact CB-CG 4.28Å; A160-K166 PolarHBondContact O-NZ 3.36Å; A160-S282 PolarHBondContact N-O 2.99Å; A160-S282 VanDerWaalsContact N-O 3.17Å; A160-A283 CarbonylContact O-C 3.52Å; A160-A283 WeakPolarHBondContact O-CA 3.3Å; A160-T308 HydrophobicContact CB-CG2 3.85Å
161	H	86.9	Confident	92.1	Very high	30 Å²	30	19.4 Å²	19.4	14%	0.139	11%	0.11	C	C	.	.			trans	-58.6	150.8	175.2	-67.6	-34	0	0	0	112.6	S163 A164 T284 R311	H161-S163 VanDerWaalsContact C-N 3.27Å; H161-S163 PolarHBondContact O-N 2.99Å; H161-A164 WeakPolarHBondContact O-CB 3.32Å; H161-A164 PolarHBondContact O-N 3.07Å; H161-T284 PolarHBondContact ND1-OG1 3.15Å; H161-R311 PolarHBondContact CD2-NE 3.19Å; H161-R311 PolarHBondContact CD2-NH2 3.02Å; H161-R311 VanDerWaalsContact CD2-NH2 3.3Å; H161-R311 VanDerWaalsContact CG-NH2 3.3Å; H161-R311 PolarHBondContact NE2-NH2 3.36Å
162	T	80.6	Confident	92.2	Very high	45 Å²	45	17.8 Å²	17.8	28%	0.276	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-56.6	-38.2	-176.8	-44.1	0	0	0	0	112.9	A164	T162-A164 VanDerWaalsContact C-N 3.31Å; T162-A164 PolarHBondContact O-N 3.18Å
163	S	77.9	Confident	92.3	Very high	28 Å²	28	16 Å²	16	20%	0.196	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-80.5	0.1	176.9	53.6	0	0	0	0	115.3	H161 G165	H161-S163 VanDerWaalsContact C-N 3.27Å; H161-S163 PolarHBondContact O-N 2.99Å; S163-G165 PolarHBondContact O-N 3.37Å
164	A	83	Confident	92.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-69.4	-20.6	177.8	0	0	0	0	0	113.2	F142 A160 H161 T162 R526	F142-A164 HydrophobicContact CE1-CB 4.19Å; F142-A164 HydrophobicContact CZ-CB 3.87Å; F142-A164 WeakPolarHBondContact CZ-O 3.08Å; A160-A164 HydrophobicContact CB-CB 3.92Å; H161-A164 WeakPolarHBondContact O-CB 3.32Å; H161-A164 PolarHBondContact O-N 3.07Å; T162-A164 VanDerWaalsContact C-N 3.31Å; T162-A164 PolarHBondContact O-N 3.18Å; A164-R526 PolarHBondContact O-NH1 3.43Å
165	G	85.4	Confident	92.3	Very high	21 Å²	21	10.5 Å²	10.5	22%	0.216	7%	0.065	C	C	.	.			trans	92.5	47	-178.8	0	0	0	0	0	113.5	Q143 S163 T167	Q143-G165 PolarHBondContact NE2-O 3.18Å; S163-G165 PolarHBondContact O-N 3.37Å; G165-T167 VanDerWaalsContact C-N 3.3Å; G165-T167 PolarHBondContact O-N 3.28Å
166	K	90.3	Very high	92.2	Very high	8 Å²	8	10.8 Å²	10.8	4%	0.035	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.9	178.3	-60.2	-162.2	-58.6	-103.6	0	113.6	V158 A160 V168 C169 E252 L281 S282	V158-K166 HydrophobicContact CG1-CD 4.41Å; V158-K166 HydrophobicContact CG1-CG 4.36Å; A160-K166 HydrophobicContact CB-CD 4.3Å; A160-K166 HydrophobicContact CB-CG 4.28Å; A160-K166 PolarHBondContact O-NZ 3.36Å; K166-V168 PolarHBondContact O-N 3Å; K166-V168 VanDerWaalsContact O-N 3.13Å; K166-C169 WeakPolarHBondContact O-CB 3.34Å; K166-C169 PolarHBondContact O-N 2.86Å; K166-E252 IonicContact NZ-OE1 3.2Å; K166-E252 PolarHBondContact NZ-OE1 2.79Å; K166-L281 HydrophobicContact CB-CB 4.4Å; K166-L281 HydrophobicContact CB-CD1 4.11Å; K166-L281 HydrophobicContact CB-CD2 4.26Å; K166-L281 HydrophobicContact CD-CB 4.27Å; K166-S282 WeakPolarHBondContact CD-O 3.19Å; K166-S282 WeakPolarHBondContact CE-O 3.38Å; K166-S282 VanDerWaalsContact NZ-C 3.32Å; K166-S282 PolarHBondContact NZ-O 2.95Å
167	T	89.8	Confident	92	Very high	33 Å²	33	10.8 Å²	10.8	20%	0.202	7%	0.067	C	C	.	.	H	α-helix	trans	-52.1	-36.7	-177.3	-30.3	0	0	0	0	112.9	G165 C169 A170 E171 M201	G165-T167 VanDerWaalsContact C-N 3.3Å; G165-T167 PolarHBondContact O-N 3.28Å; T167-C169 PolarHBondContact O-N 3.49Å; T167-C169 VanDerWaalsContact O-N 3.12Å; T167-A170 WeakPolarHBondContact O-CA 3.43Å; T167-A170 WeakPolarHBondContact O-CB 3.13Å; T167-A170 PolarHBondContact O-N 2.67Å; T167-E171 VanDerWaalsContact C-OE1 3.27Å; T167-E171 VanDerWaalsContact CB-OE1 3.3Å; T167-E171 WeakPolarHBondContact CB-OE1 3.37Å; T167-E171 HydrophobicContact CG2-CG 4.36Å; T167-E171 VanDerWaalsContact CG2-OE1 3.28Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.37Å; T167-E171 WeakPolarHBondContact O-CG 3.31Å; T167-E171 PolarHBondContact O-N 3.41Å; T167-M201 HydrophobicContact CG2-CE 3.79Å
168	V	93.1	Very high	91.9	Very high	7 Å²	7	12.9 Å²	12.9	4%	0.042	8%	0.078	C	C	.	.	H	α-helix	trans	-50.1	-38.8	176.5	172.6	0	0	0	0	112.6	Y135 F137 L139 Q143 I147 K166 E171 Y172	Y135-V168 HydrophobicContact CD1-CG1 4.31Å; Y135-V168 HydrophobicContact CE1-CB 4.35Å; Y135-V168 HydrophobicContact CE1-CG1 3.81Å; Y135-V168 HydrophobicContact CE1-CG2 4.26Å; Y135-V168 HydrophobicContact CE2-CG1 4.17Å; Y135-V168 PolarHBondContact OH-O 3.24Å; F137-V168 HydrophobicContact CE2-CG2 4.13Å; F137-V168 HydrophobicContact CZ-CG2 3.84Å; L139-V168 HydrophobicContact CD2-CG1 3.61Å; Q143-V168 HydrophobicContact CG-CG1 4.5Å; I147-V168 HydrophobicContact CD1-CG1 4.21Å; K166-V168 PolarHBondContact O-N 3Å; K166-V168 VanDerWaalsContact O-N 3.13Å; V168-E171 PolarHBondContact N-OE1 3.26Å; V168-Y172 PolarHBondContact O-N 3.05Å; V168-Y172 VanDerWaalsContact O-N 3.08Å
169	C	94.6	Very high	91.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.007	10%	0.099	C	C	.	.	H	α-helix	trans	-71.8	-34.6	180	-54.8	0	0	0	0	112	A146 V158 K166 T167 A173 L281	A146-C169 HydrophobicContact CB-CB 4.42Å; V158-C169 HydrophobicContact CG2-CB 4.34Å; K166-C169 WeakPolarHBondContact O-CB 3.34Å; K166-C169 PolarHBondContact O-N 2.86Å; T167-C169 PolarHBondContact O-N 3.49Å; T167-C169 VanDerWaalsContact O-N 3.12Å; C169-A173 PolarHBondContact O-N 2.7Å; C169-L281 HydrophobicContact CB-CD2 4.37Å
170	A	94.8	Very high	91.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-72.7	-44.4	174.6	0	0	0	0	0	111.9	T167 Y172 A173 I174 F186 I249 L281	T167-A170 WeakPolarHBondContact O-CA 3.43Å; T167-A170 WeakPolarHBondContact O-CB 3.13Å; T167-A170 PolarHBondContact O-N 2.67Å; A170-Y172 VanDerWaalsContact C-N 3.26Å; A170-Y172 PolarHBondContact O-N 2.89Å; A170-A173 PolarHBondContact O-N 3.01Å; A170-A173 VanDerWaalsContact O-N 3.14Å; A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 2.96Å; A170-F186 HydrophobicContact CB-CD2 4.37Å; A170-F186 HydrophobicContact CB-CE2 3.97Å; A170-I249 HydrophobicContact CB-CD1 4Å; A170-I249 HydrophobicContact CB-CG2 3.71Å; A170-L281 HydrophobicContact CB-CD1 4.01Å
171	E	95.8	Very high	91.7	Very high	35 Å²	35	32.5 Å²	32.5	16%	0.164	16%	0.161	C	C	.	.	H	α-helix	trans	-57.6	-39	174.8	-67.4	160.2	-132.3	0	0	111.8	K133 Y135 T167 V168 I174 A175 M201 F205	K133-E171 HydrophobicContact CD-CB 4.11Å; K133-E171 WeakPolarHBondContact CE-OE2 3.41Å; Y135-E171 WeakPolarHBondContact CE1-OE2 3.38Å; T167-E171 VanDerWaalsContact C-OE1 3.27Å; T167-E171 VanDerWaalsContact CB-OE1 3.3Å; T167-E171 WeakPolarHBondContact CB-OE1 3.37Å; T167-E171 HydrophobicContact CG2-CG 4.36Å; T167-E171 VanDerWaalsContact CG2-OE1 3.28Å; T167-E171 WeakPolarHBondContact CG2-OE1 3.37Å; T167-E171 WeakPolarHBondContact O-CG 3.31Å; T167-E171 PolarHBondContact O-N 3.41Å; V168-E171 PolarHBondContact N-OE1 3.26Å; E171-I174 PolarHBondContact O-N 2.82Å; E171-A175 WeakPolarHBondContact O-CB 3.5Å; E171-A175 PolarHBondContact O-N 3.48Å; E171-M201 HydrophobicContact CG-CE 3.92Å; E171-M201 HydrophobicContact CG-SD 4.21Å; E171-F205 HydrophobicContact CB-CZ 4.32Å; E171-F205 WeakPolarHBondContact O-CZ 3.27Å
172	Y	96.8	Very high	92.1	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-67	-40.7	176.3	-165.1	-88.4	0	0	0	112.4	R127 A131 A132 K133 Y135 I147 V150 D151 V168 A170 A175 L176	R127-Y172 PolarHBondContact NH1-OH 2.82Å; A131-Y172 HydrophobicContact CB-CE2 4.16Å; A132-Y172 HydrophobicContact CB-CD1 4.45Å; A132-Y172 HydrophobicContact CB-CD2 4.38Å; A132-Y172 HydrophobicContact CB-CE1 3.97Å; A132-Y172 HydrophobicContact CB-CE2 3.91Å; A132-Y172 PolarHBondContact N-OH 2.91Å; K133-Y172 HydrophobicContact CB-CD2 4.28Å; Y135-Y172 HydrophobicContact CE2-CD2 4.3Å; Y135-Y172 PolarHBondContact OH-N 3.33Å; I147-Y172 HydrophobicContact CB-CD1 4.43Å; I147-Y172 HydrophobicContact CB-CG 4.49Å; I147-Y172 HydrophobicContact CD1-CD2 4.05Å; I147-Y172 HydrophobicContact CD1-CG 4.11Å; I147-Y172 HydrophobicContact CG1-CD1 4.16Å; I147-Y172 HydrophobicContact CG1-CD2 4.2Å; I147-Y172 HydrophobicContact CG1-CG 3.82Å; I147-Y172 HydrophobicContact CG2-CD1 3.88Å; I147-Y172 HydrophobicContact CG2-CD2 4.04Å; I147-Y172 HydrophobicContact CG2-CE1 3.71Å; I147-Y172 HydrophobicContact CG2-CE2 3.86Å; I147-Y172 HydrophobicContact CG2-CG 4.04Å; V150-Y172 HydrophobicContact CB-CD1 4.41Å; V150-Y172 HydrophobicContact CG1-CD1 3.93Å; V150-Y172 HydrophobicContact CG1-CE1 4.42Å; D151-Y172 VanDerWaalsContact OD1-CE1 3.29Å; D151-Y172 WeakPolarHBondContact OD1-CE1 3.34Å; D151-Y172 PolarHBondContact OD1-OH 3.17Å; D151-Y172 PolarHBondContact OD2-OH 3.48Å; D151-Y172 VanDerWaalsContact OD2-OH 3.09Å; V168-Y172 PolarHBondContact O-N 3.05Å; V168-Y172 VanDerWaalsContact O-N 3.08Å; A170-Y172 VanDerWaalsContact C-N 3.26Å; A170-Y172 PolarHBondContact O-N 2.89Å; Y172-A175 PolarHBondContact O-N 3.04Å; Y172-L176 WeakPolarHBondContact O-CB 3.49Å; Y172-L176 PolarHBondContact O-N 2.89Å
173	A	96.7	Very high	92.9	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.4	-37.7	175.5	0	0	0	0	0	112.4	V150 C169 A170 L176 A177 I249 V279	V150-A173 HydrophobicContact CG1-CB 4.01Å; C169-A173 PolarHBondContact O-N 2.7Å; A170-A173 PolarHBondContact O-N 3.01Å; A170-A173 VanDerWaalsContact O-N 3.14Å; A173-L176 PolarHBondContact O-N 2.95Å; A173-A177 WeakPolarHBondContact O-CB 3.31Å; A173-A177 PolarHBondContact O-N 3Å; A173-I249 HydrophobicContact CB-CD1 4.3Å; A173-V279 HydrophobicContact CB-CG2 3.91Å
174	I	96.8	Very high	93.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-51.9	171.8	-67.5	164.7	0	0	0	110	A170 E171 L176 A177 L178 V184 F186 M201 F205 C223 I249	A170-I174 WeakPolarHBondContact O-CG1 3.47Å; A170-I174 PolarHBondContact O-N 2.96Å; E171-I174 PolarHBondContact O-N 2.82Å; I174-L176 VanDerWaalsContact C-N 3.27Å; I174-L176 PolarHBondContact O-N 3.06Å; I174-A177 PolarHBondContact O-N 2.76Å; I174-L178 HydrophobicContact CG2-CD1 3.75Å; I174-L178 HydrophobicContact CG2-CG 4.25Å; I174-L178 WeakPolarHBondContact O-CB 3.36Å; I174-L178 VanDerWaalsContact O-CG 3.27Å; I174-L178 WeakPolarHBondContact O-CG 3.46Å; I174-L178 PolarHBondContact O-N 3.04Å; I174-V184 HydrophobicContact CB-CG1 4.32Å; I174-V184 HydrophobicContact CG1-CG1 4.06Å; I174-V184 HydrophobicContact CG1-CG2 3.95Å; I174-V184 HydrophobicContact CG2-CG1 4.12Å; I174-F186 HydrophobicContact CD1-CD2 4.44Å; I174-M201 HydrophobicContact CD1-CG 4.34Å; I174-M201 HydrophobicContact CD1-SD 3.62Å; I174-F205 HydrophobicContact CB-CE2 4.03Å; I174-F205 HydrophobicContact CB-CZ 4.05Å; I174-F205 HydrophobicContact CD1-CE2 4.3Å; I174-F205 HydrophobicContact CG2-CD1 4.09Å; I174-F205 HydrophobicContact CG2-CD2 3.68Å; I174-F205 HydrophobicContact CG2-CE1 4.02Å; I174-F205 HydrophobicContact CG2-CE2 3.6Å; I174-F205 HydrophobicContact CG2-CG 3.93Å; I174-F205 HydrophobicContact CG2-CZ 3.78Å; I174-C223 HydrophobicContact CG2-CB 4.32Å; I174-I249 HydrophobicContact CD1-CD1 4.04Å; I174-I249 HydrophobicContact CG1-CD1 3.62Å
175	A	96.1	Very high	94.5	Very high	10 Å²	10	32.8 Å²	32.8	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-37.6	178.5	0	0	0	0	0	112.7	A132 K133 E171 Y172 R179 F205	A132-A175 HydrophobicContact CB-CB 4.03Å; K133-A175 HydrophobicContact CB-CB 3.72Å; E171-A175 WeakPolarHBondContact O-CB 3.5Å; E171-A175 PolarHBondContact O-N 3.48Å; Y172-A175 PolarHBondContact O-N 3.04Å; A175-R179 VanDerWaalsContact O-CB 3.28Å; A175-R179 WeakPolarHBondContact O-CB 3.33Å; A175-R179 PolarHBondContact O-N 3.15Å; A175-F205 HydrophobicContact CB-CE1 3.93Å; A175-F205 HydrophobicContact CB-CZ 4.35Å
176	L	95.5	Very high	95.1	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-51.7	175.7	178.7	61.3	0	0	0	111.3	A132 V150 Y172 A173 I174 L178 R179 E180 W247	A132-L176 HydrophobicContact CB-CB 4.03Å; V150-L176 HydrophobicContact CG1-CD2 3.59Å; V150-L176 WeakPolarHBondContact O-CD2 3.42Å; Y172-L176 WeakPolarHBondContact O-CB 3.49Å; Y172-L176 PolarHBondContact O-N 2.89Å; A173-L176 PolarHBondContact O-N 2.95Å; I174-L176 VanDerWaalsContact C-N 3.27Å; I174-L176 PolarHBondContact O-N 3.06Å; L176-L178 VanDerWaalsContact C-N 3.35Å; L176-L178 PolarHBondContact O-N 2.96Å; L176-R179 WeakPolarHBondContact O-CB 3.47Å; L176-R179 PolarHBondContact O-N 3.46Å; L176-R179 VanDerWaalsContact O-N 3.16Å; L176-E180 HydrophobicContact CD1-CG 4.24Å; L176-E180 PolarHBondContact O-N 2.97Å; L176-W247 HydrophobicContact CD2-CZ2 4.35Å
177	A	95.4	Very high	95.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.1	-46.3	178.8	0	0	0	0	0	111.7	A173 I174 R179 E180 K181 Q182 V184	A173-A177 WeakPolarHBondContact O-CB 3.31Å; A173-A177 PolarHBondContact O-N 3Å; I174-A177 PolarHBondContact O-N 2.76Å; A177-R179 VanDerWaalsContact C-N 3.34Å; A177-R179 PolarHBondContact O-N 3.26Å; A177-E180 CarbonylContact O-C 3.46Å; A177-E180 PolarHBondContact O-N 2.94Å; A177-K181 PolarHBondContact O-N 3.01Å; A177-Q182 CarbonylContact C-O 3.46Å; A177-Q182 HydrophobicContact CB-CB 4.45Å; A177-Q182 PolarHBondContact O-N 2.88Å; A177-V184 HydrophobicContact CB-CB 3.85Å; A177-V184 HydrophobicContact CB-CG1 4.2Å
178	L	95	Very high	95.5	Very high	45 Å²	45	29.8 Å²	29.8	24%	0.236	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-39.1	176.8	-65.6	176.9	0	0	0	112.3	I174 L176 K181 F205	I174-L178 HydrophobicContact CG2-CD1 3.75Å; I174-L178 HydrophobicContact CG2-CG 4.25Å; I174-L178 WeakPolarHBondContact O-CB 3.36Å; I174-L178 VanDerWaalsContact O-CG 3.27Å; I174-L178 WeakPolarHBondContact O-CG 3.46Å; I174-L178 PolarHBondContact O-N 3.04Å; L176-L178 VanDerWaalsContact C-N 3.35Å; L176-L178 PolarHBondContact O-N 2.96Å; L178-K181 PolarHBondContact O-N 3.36Å; L178-F205 HydrophobicContact CD1-CB 4.07Å; L178-F205 HydrophobicContact CD1-CD1 3.7Å; L178-F205 HydrophobicContact CD1-CE1 4.43Å; L178-F205 HydrophobicContact CD1-CG 4.04Å
179	R	94.3	Very high	95.2	Very high	118 Å²	118	29.5 Å²	29.5	45%	0.445	13%	0.132	S	C	.	.	H	α-helix	trans	-63.3	-42.4	176.6	-169.9	-173.9	76.7	-163.9	0.2	112.1	A175 L176 A177 K181	A175-R179 VanDerWaalsContact O-CB 3.28Å; A175-R179 WeakPolarHBondContact O-CB 3.33Å; A175-R179 PolarHBondContact O-N 3.15Å; L176-R179 WeakPolarHBondContact O-CB 3.47Å; L176-R179 PolarHBondContact O-N 3.46Å; L176-R179 VanDerWaalsContact O-N 3.16Å; A177-R179 VanDerWaalsContact C-N 3.34Å; A177-R179 PolarHBondContact O-N 3.26Å; R179-K181 PolarHBondContact O-N 2.99Å
180	E	93.5	Very high	94.8	Very high	99 Å²	99	32 Å²	32	46%	0.463	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	3.1	176.7	-52.3	-47	141.9	0	0	113.4	L176 A177 Q182	L176-E180 HydrophobicContact CD1-CG 4.24Å; L176-E180 PolarHBondContact O-N 2.97Å; A177-E180 CarbonylContact O-C 3.46Å; A177-E180 PolarHBondContact O-N 2.94Å; E180-Q182 VanDerWaalsContact C-N 3.29Å; E180-Q182 HydrophobicContact CB-CG 4.28Å; E180-Q182 PolarHBondContact O-N 2.76Å
181	K	94.4	Very high	94.3	Very high	195 Å²	195	34.8 Å²	34.8	85%	0.848	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	33.7	-178.4	-52.2	-178.9	-178.1	-179.9	0	114.3	A177 L178 R179	A177-K181 PolarHBondContact O-N 3.01Å; L178-K181 PolarHBondContact O-N 3.36Å; R179-K181 PolarHBondContact O-N 2.99Å
182	Q	94.9	Very high	93.5	Very high	77 Å²	77	34.2 Å²	34.2	36%	0.36	16%	0.158	S	C	.	.			trans	-100.1	157.4	173.3	-61.3	176.3	-44.9	0	0	109.8	A177 E180 A246	A177-Q182 CarbonylContact C-O 3.46Å; A177-Q182 HydrophobicContact CB-CB 4.45Å; A177-Q182 PolarHBondContact O-N 2.88Å; E180-Q182 VanDerWaalsContact C-N 3.29Å; E180-Q182 HydrophobicContact CB-CG 4.28Å; E180-Q182 PolarHBondContact O-N 2.76Å; Q182-A246 HydrophobicContact CB-CB 3.73Å; Q182-A246 HydrophobicContact CG-CB 4.02Å; Q182-A246 VanDerWaalsContact OE1-CB 3.23Å
183	R	95.8	Very high	93	Very high	30 Å²	30	34.8 Å²	34.8	11%	0.113	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	152.3	174.9	-59.8	-176.9	77.2	-176.1	0.1	111	P219 T220 A221 S222 E244 V245 A246	R183-P219 PolarHBondContact NH2-O 2.67Å; R183-T220 PolarHBondContact NH2-O 3.37Å; R183-A221 VanDerWaalsContact CZ-O 3.31Å; R183-A221 PolarHBondContact NE-O 3.03Å; R183-A221 PolarHBondContact NH2-O 2.86Å; R183-S222 VanDerWaalsContact CA-O 3.27Å; R183-S222 WeakPolarHBondContact CA-O 3.4Å; R183-S222 WeakPolarHBondContact CB-O 3.46Å; R183-E244 HydrophobicContact CB-CB 4.26Å; R183-E244 WeakPolarHBondContact CD-OE2 3.46Å; R183-E244 HydrophobicContact CG-CB 3.9Å; R183-E244 IonicContact CZ-OE2 2.86Å; R183-E244 PolarHBondContact N-O 2.75Å; R183-E244 IonicContact NE-OE2 2.67Å; R183-E244 IonicContact NH1-OE2 3.63Å; R183-E244 PolarHBondContact NH1-OE2 2.86Å; R183-V245 HydrophobicContact CB-CG2 4.15Å; R183-V245 WeakPolarHBondContact O-CA 3.18Å; R183-A246 PolarHBondContact O-N 2.78Å
184	V	97.6	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.2	-179.2	57.3	0	0	0	0	109.6	I174 A177 S222 C223 L224 W247 I249	I174-V184 HydrophobicContact CB-CG1 4.32Å; I174-V184 HydrophobicContact CG1-CG1 4.06Å; I174-V184 HydrophobicContact CG1-CG2 3.95Å; I174-V184 HydrophobicContact CG2-CG1 4.12Å; A177-V184 HydrophobicContact CB-CB 3.85Å; A177-V184 HydrophobicContact CB-CG1 4.2Å; V184-S222 PolarHBondContact N-O 3.01Å; V184-C223 HydrophobicContact CG1-CB 3.8Å; V184-C223 WeakPolarHBondContact O-CA 3.33Å; V184-L224 PolarHBondContact O-N 2.99Å; V184-W247 WeakPolarHBondContact CA-O 3.05Å; V184-W247 HydrophobicContact CB-CB 4.49Å; V184-W247 HydrophobicContact CG2-CB 3.99Å; V184-I249 HydrophobicContact CG2-CD1 3.8Å; V184-I249 HydrophobicContact CG2-CG1 4.3Å
185	I	98	Very high	92.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.7	175.7	-62.2	-176.3	0	0	0	109.2	T187 L224 M226 L231 M242 V245 W247 V248 I249	I185-T187 HydrophobicContact CG2-CG2 3.84Å; I185-L224 CarbonylContact C-O 3.47Å; I185-L224 WeakPolarHBondContact CA-O 3.29Å; I185-L224 HydrophobicContact CG1-CB 4.43Å; I185-M226 HydrophobicContact CD1-CE 4.03Å; I185-M226 HydrophobicContact CD1-SD 4.45Å; I185-M226 HydrophobicContact CG1-CE 4.31Å; I185-M226 HydrophobicContact CG2-CE 3.85Å; I185-M226 HydrophobicContact CG2-CG 3.73Å; I185-M226 HydrophobicContact CG2-SD 3.67Å; I185-L231 HydrophobicContact CD1-CD1 3.77Å; I185-L231 HydrophobicContact CG2-CD2 4.37Å; I185-M242 HydrophobicContact CD1-SD 3.81Å; I185-V245 HydrophobicContact CD1-CG1 4.47Å; I185-V245 HydrophobicContact CD1-CG2 3.77Å; I185-V245 HydrophobicContact CG1-CG1 4.3Å; I185-V245 HydrophobicContact CG1-CG2 3.86Å; I185-W247 PolarHBondContact N-O 2.87Å; I185-V248 HydrophobicContact CB-CG2 4.34Å; I185-V248 WeakPolarHBondContact O-CA 2.98Å; I185-I249 PolarHBondContact O-N 3.07Å
186	F	97.7	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.1	170.3	-173.4	-76.9	0	0	0	109.2	A170 I174 K197 L224 V225 M226 I249 D251	A170-F186 HydrophobicContact CB-CD2 4.37Å; A170-F186 HydrophobicContact CB-CE2 3.97Å; I174-F186 HydrophobicContact CD1-CD2 4.44Å; F186-K197 HydrophobicContact CD1-CB 4.31Å; F186-K197 HydrophobicContact CE1-CB 3.86Å; F186-K197 HydrophobicContact CE1-CD 3.97Å; F186-K197 HydrophobicContact CE1-CG 3.7Å; F186-K197 HydrophobicContact CZ-CB 4.47Å; F186-K197 HydrophobicContact CZ-CD 3.76Å; F186-K197 HydrophobicContact CZ-CG 4.03Å; F186-L224 PolarHBondContact N-O 2.86Å; F186-V225 HydrophobicContact CB-CG2 4.22Å; F186-V225 HydrophobicContact CD1-CG1 4.26Å; F186-V225 CarbonylContact O-C 3.56Å; F186-V225 WeakPolarHBondContact O-CA 3.37Å; F186-M226 PolarHBondContact O-N 2.87Å; F186-I249 HydrophobicContact CD2-CB 4Å; F186-I249 HydrophobicContact CD2-CD1 4.15Å; F186-I249 HydrophobicContact CD2-CG2 3.68Å; F186-I249 HydrophobicContact CE2-CG2 3.83Å; F186-D251 HydrophobicContact CE1-CB 3.88Å; F186-D251 HydrophobicContact CE2-CB 4.42Å; F186-D251 HydrophobicContact CZ-CB 3.59Å
187	T	96.4	Very high	91.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	146.3	177.3	63.5	0	0	0	0	111.6	I185 M226 L231 V248 I249 F250 D251	I185-T187 HydrophobicContact CG2-CG2 3.84Å; T187-M226 WeakPolarHBondContact CA-O 3.45Å; T187-M226 HydrophobicContact CG2-CG 4.24Å; T187-L231 HydrophobicContact CG2-CB 4.28Å; T187-L231 HydrophobicContact CG2-CD2 3.57Å; T187-V248 HydrophobicContact CG2-CG1 4.36Å; T187-I249 PolarHBondContact N-O 2.87Å; T187-I249 PolarHBondContact OG1-O 2.83Å; T187-F250 WeakPolarHBondContact OG1-CA 3.29Å; T187-F250 WeakPolarHBondContact OG1-CD1 3.29Å; T187-D251 WeakPolarHBondContact O-CB 3.49Å; T187-D251 PolarHBondContact O-N 2.88Å; T187-D251 VanDerWaalsContact O-N 3.09Å
188	S	92.1	Very high	91.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	148	-176.9	53.6	0	0	0	0	112	I190 S194 M226 T227	S188-I190 PolarHBondContact O-N 3.35Å; S188-S194 WeakPolarHBondContact OG-CA 3.47Å; S188-S194 WeakPolarHBondContact OG-CB 3.44Å; S188-S194 PolarHBondContact OG-OG 3.36Å; S188-M226 PolarHBondContact N-O 2.86Å; S188-M226 PolarHBondContact OG-O 3.05Å; S188-M226 VanDerWaalsContact OG-O 3.11Å; S188-T227 WeakPolarHBondContact O-CA 3.27Å
189	P	87.4	Confident	90.8	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	18%	0.182	C	C	.	.	S	Bend	trans	-70.9	-16.6	-174	24.6	-35.8	0	0	0	116.2	L193 E252 Y255 R261 W265	P189-L193 HydrophobicContact CG-CD2 4.11Å; P189-E252 HydrophobicContact CG-CB 4.31Å; P189-Y255 HydrophobicContact CB-CD1 3.64Å; P189-Y255 HydrophobicContact CB-CE1 4.06Å; P189-Y255 HydrophobicContact CB-CG 4Å; P189-Y255 HydrophobicContact CG-CD1 4.23Å; P189-Y255 HydrophobicContact CG-CE1 4.32Å; P189-Y255 HydrophobicContact CG-CG 4.38Å; P189-R261 PolarHBondContact O-NH1 2.81Å; P189-R261 PolarHBondContact O-NH2 3.45Å; P189-W265 HydrophobicContact CB-CH2 4.49Å; P189-W265 HydrophobicContact CB-CZ2 3.82Å
190	I	85.1	Confident	90.6	Very high	54 Å²	54	38.8 Å²	38.8	28%	0.277	18%	0.176	S	C	.	.	S	Bend	trans	-145.3	133.9	-170.6	-54.3	179.8	0	0	0	110	S188 A192 L193 S194 M486	S188-I190 PolarHBondContact O-N 3.35Å; I190-A192 HydrophobicContact CG2-CB 4.28Å; I190-A192 PolarHBondContact O-N 3.42Å; I190-A192 VanDerWaalsContact O-N 3.07Å; I190-L193 HydrophobicContact CB-CB 4.48Å; I190-L193 WeakPolarHBondContact O-CA 3.01Å; I190-L193 WeakPolarHBondContact O-CB 3.49Å; I190-L193 PolarHBondContact O-N 2.95Å; I190-S194 PolarHBondContact O-N 3.46Å; I190-S194 PolarHBondContact O-OG 2.68Å; I190-S194 VanDerWaalsContact O-OG 3.11Å; I190-M486 WeakPolarHBondContact CD1-O 3.14Å
191	K	84.9	Confident	90.5	Very high	57 Å²	57	34.3 Å²	34.3	25%	0.248	16%	0.155	C	C	.	.	H	α-helix	trans	-47.2	-39.8	178.5	-61.1	-177.7	-177.8	177.1	0	113.2	S194 N195 D214 T227 E1001	K191-S194 WeakPolarHBondContact O-CB 3.45Å; K191-S194 PolarHBondContact O-N 3.47Å; K191-N195 VanDerWaalsContact O-CG 3.31Å; K191-N195 PolarHBondContact O-N 3.14Å; K191-N195 PolarHBondContact O-OD1 3.42Å; K191-N195 VanDerWaalsContact O-OD1 3.1Å; K191-D214 IonicContact NZ-OD1 2.75Å; K191-D214 PolarHBondContact NZ-OD1 3.27Å; K191-D214 IonicContact NZ-OD2 3.42Å; K191-T227 HydrophobicContact CG-CG2 4.01Å; K191-E1001 IonicContact NZ-OE2 3.67Å; K191-E1001 PolarHBondContact NZ-OE2 2.95Å
192	A	79.9	Confident	90.4	Very high	24 Å²	24	30.3 Å²	30.3	20%	0.198	14%	0.135	C	C	.	.	H	α-helix	trans	-64.7	-41.6	176.1	0	0	0	0	0	113.5	I190 S194 N195 Q196	I190-A192 HydrophobicContact CG2-CB 4.28Å; I190-A192 PolarHBondContact O-N 3.42Å; I190-A192 VanDerWaalsContact O-N 3.07Å; A192-S194 VanDerWaalsContact C-N 3.33Å; A192-N195 PolarHBondContact O-N 3.25Å; A192-Q196 PolarHBondContact O-N 3.14Å
193	L	84.6	Confident	90.2	Very high	14 Å²	14	32.8 Å²	32.8	7%	0.073	15%	0.147	C	C	.	.	H	α-helix	trans	-69.3	-33.3	174	-175.6	59.7	0	0	0	111	P189 I190 Q196 K197	P189-L193 HydrophobicContact CG-CD2 4.11Å; I190-L193 HydrophobicContact CB-CB 4.48Å; I190-L193 WeakPolarHBondContact O-CA 3.01Å; I190-L193 WeakPolarHBondContact O-CB 3.49Å; I190-L193 PolarHBondContact O-N 2.95Å; L193-Q196 PolarHBondContact O-N 2.85Å; L193-K197 HydrophobicContact CD1-CG 4.08Å; L193-K197 HydrophobicContact CG-CG 4.26Å; L193-K197 VanDerWaalsContact O-CB 3.29Å; L193-K197 WeakPolarHBondContact O-CB 3.22Å; L193-K197 WeakPolarHBondContact O-CG 3.41Å; L193-K197 PolarHBondContact O-N 2.73Å
194	S	89.7	Confident	90	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.1	-42.7	170.8	-41.7	0	0	0	0	111.7	S188 I190 K191 A192 K197 Y198 V225 T227	S188-S194 WeakPolarHBondContact OG-CA 3.47Å; S188-S194 WeakPolarHBondContact OG-CB 3.44Å; S188-S194 PolarHBondContact OG-OG 3.36Å; I190-S194 PolarHBondContact O-N 3.46Å; I190-S194 PolarHBondContact O-OG 2.68Å; I190-S194 VanDerWaalsContact O-OG 3.11Å; K191-S194 WeakPolarHBondContact O-CB 3.45Å; K191-S194 PolarHBondContact O-N 3.47Å; A192-S194 VanDerWaalsContact C-N 3.33Å; S194-K197 PolarHBondContact O-N 2.96Å; S194-Y198 VanDerWaalsContact O-CB 3.27Å; S194-Y198 WeakPolarHBondContact O-CB 3.15Å; S194-Y198 PolarHBondContact O-N 2.93Å; S194-V225 WeakPolarHBondContact O-CG1 3.23Å; S194-T227 WeakPolarHBondContact OG-CG2 3.36Å
195	N	86.5	Confident	89.8	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.064	17%	0.17	C	C	.	.	H	α-helix	trans	-65.7	-45.7	176.2	-63.2	1.2	0	0	0	111.4	K191 A192 K197 Y198 R199 S1038 Y1040 L1041	K191-N195 VanDerWaalsContact O-CG 3.31Å; K191-N195 PolarHBondContact O-N 3.14Å; K191-N195 PolarHBondContact O-OD1 3.42Å; K191-N195 VanDerWaalsContact O-OD1 3.1Å; A192-N195 PolarHBondContact O-N 3.25Å; N195-K197 PolarHBondContact O-N 2.83Å; N195-Y198 PolarHBondContact O-N 3.19Å; N195-R199 PolarHBondContact O-N 2.69Å; N195-R199 VanDerWaalsContact O-N 3.14Å; N195-S1038 WeakPolarHBondContact ND2-CB 3.45Å; N195-S1038 PolarHBondContact ND2-OG 2.83Å; N195-S1038 VanDerWaalsContact ND2-OG 3.1Å; N195-Y1040 HydrophobicContact CB-CG 4.42Å; N195-L1041 HydrophobicContact CB-CD2 3.97Å; N195-L1041 HydrophobicContact CB-CG 4.42Å
196	Q	85	Confident	89.3	Confident	24 Å²	24	44.6 Å²	44.6	11%	0.112	20%	0.203	C	C	.	.	H	α-helix	trans	-56	-50.6	173.7	177.8	179.6	4.4	0	0	111.1	A192 L193 R199 E200	A192-Q196 PolarHBondContact O-N 3.14Å; L193-Q196 PolarHBondContact O-N 2.85Å; Q196-R199 PolarHBondContact O-N 2.81Å; Q196-E200 HydrophobicContact CG-CG 4.42Å; Q196-E200 WeakPolarHBondContact CG-OE1 3.3Å; Q196-E200 PolarHBondContact NE2-OE1 3.45Å; Q196-E200 WeakPolarHBondContact O-CG 3.4Å; Q196-E200 PolarHBondContact O-N 2.75Å
197	K	89.6	Confident	89.1	Confident	8 Å²	8	47.6 Å²	47.6	4%	0.035	22%	0.219	C	C	.	.	H	α-helix	trans	-69.5	-33.5	-177.1	-69.6	-72.7	169.2	-157.6	0	112.9	F186 L193 S194 N195 E200 M201 V225	F186-K197 HydrophobicContact CD1-CB 4.31Å; F186-K197 HydrophobicContact CE1-CB 3.86Å; F186-K197 HydrophobicContact CE1-CD 3.97Å; F186-K197 HydrophobicContact CE1-CG 3.7Å; F186-K197 HydrophobicContact CZ-CB 4.47Å; F186-K197 HydrophobicContact CZ-CD 3.76Å; F186-K197 HydrophobicContact CZ-CG 4.03Å; L193-K197 HydrophobicContact CD1-CG 4.08Å; L193-K197 HydrophobicContact CG-CG 4.26Å; L193-K197 VanDerWaalsContact O-CB 3.29Å; L193-K197 WeakPolarHBondContact O-CB 3.22Å; L193-K197 WeakPolarHBondContact O-CG 3.41Å; L193-K197 PolarHBondContact O-N 2.73Å; S194-K197 PolarHBondContact O-N 2.96Å; N195-K197 PolarHBondContact O-N 2.83Å; K197-E200 WeakPolarHBondContact CD-OE2 3.44Å; K197-E200 WeakPolarHBondContact CE-OE2 3.26Å; K197-E200 IonicContact NZ-OE2 2.92Å; K197-E200 PolarHBondContact NZ-OE2 3.01Å; K197-M201 WeakPolarHBondContact O-CB 3.16Å; K197-M201 WeakPolarHBondContact O-CG 3.46Å; K197-M201 PolarHBondContact O-N 3.17Å; K197-V225 HydrophobicContact CB-CG1 4.16Å
198	Y	92.1	Very high	89.1	Confident	24 Å²	24	47.6 Å²	47.6	9%	0.094	22%	0.219	C	C	.	.	H	α-helix	trans	-57.1	-50.5	169.8	165.7	-105.2	0	0	0	110.6	S194 N195 M201 Y202 V208 L210 I217 L1041	S194-Y198 VanDerWaalsContact O-CB 3.27Å; S194-Y198 WeakPolarHBondContact O-CB 3.15Å; S194-Y198 PolarHBondContact O-N 2.93Å; N195-Y198 PolarHBondContact O-N 3.19Å; Y198-M201 PolarHBondContact O-N 3.03Å; Y198-Y202 HydrophobicContact CE2-CD2 4.06Å; Y198-Y202 WeakPolarHBondContact O-CB 3.44Å; Y198-Y202 PolarHBondContact O-N 3.08Å; Y198-V208 HydrophobicContact CD2-CG1 3.97Å; Y198-V208 HydrophobicContact CE2-CG1 4.4Å; Y198-L210 HydrophobicContact CD1-CB 4.49Å; Y198-L210 HydrophobicContact CD1-CD2 4.26Å; Y198-L210 HydrophobicContact CD2-CB 3.65Å; Y198-L210 HydrophobicContact CE2-CB 4.1Å; Y198-L210 HydrophobicContact CG-CB 3.87Å; Y198-L210 HydrophobicContact CG-CD2 4.19Å; Y198-L210 HydrophobicContact CG-CG 4.44Å; Y198-I217 HydrophobicContact CE1-CD1 4.21Å; Y198-L1041 HydrophobicContact CD1-CD2 4.04Å; Y198-L1041 HydrophobicContact CE1-CD2 4.42Å
199	R	88.1	Confident	89.2	Confident	127 Å²	127	47.6 Å²	47.6	48%	0.479	22%	0.219	S	C	.	.	H	α-helix	trans	-64.1	-49	179.5	-176.6	169.9	173.1	172.3	-4.5	112.7	N195 Q196 M201 Y202 E203	N195-R199 PolarHBondContact O-N 2.69Å; N195-R199 VanDerWaalsContact O-N 3.14Å; Q196-R199 PolarHBondContact O-N 2.81Å; R199-M201 VanDerWaalsContact C-N 3.29Å; R199-M201 PolarHBondContact O-N 3.14Å; R199-Y202 PolarHBondContact O-N 2.9Å; R199-E203 HydrophobicContact CG-CG 4.43Å; R199-E203 WeakPolarHBondContact CG-OE1 3.27Å; R199-E203 IonicContact CZ-OE1 2.88Å; R199-E203 IonicContact NE-OE1 2.64Å; R199-E203 PolarHBondContact NE-OE1 3.16Å; R199-E203 IonicContact NH2-OE1 3.73Å; R199-E203 PolarHBondContact NH2-OE1 2.82Å; R199-E203 WeakPolarHBondContact O-CG 3.29Å; R199-E203 PolarHBondContact O-N 3.5Å
200	E	89	Confident	89.6	Confident	68 Å²	68	47.5 Å²	47.5	32%	0.318	22%	0.218	S	C	.	.	H	α-helix	trans	-55.1	-42.8	176.8	-73.2	176	-173.5	0	0	112.1	Q196 K197	Q196-E200 HydrophobicContact CG-CG 4.42Å; Q196-E200 WeakPolarHBondContact CG-OE1 3.3Å; Q196-E200 PolarHBondContact NE2-OE1 3.45Å; Q196-E200 WeakPolarHBondContact O-CG 3.4Å; Q196-E200 PolarHBondContact O-N 2.75Å; K197-E200 WeakPolarHBondContact CD-OE2 3.44Å; K197-E200 WeakPolarHBondContact CE-OE2 3.26Å; K197-E200 IonicContact NZ-OE2 2.92Å; K197-E200 PolarHBondContact NZ-OE2 3.01Å
201	M	91.5	Very high	90	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.02	21%	0.212	C	C	.	.	H	α-helix	trans	-79	-31.5	179.9	-61.9	-63.7	149.2	0	0	112.6	T167 E171 I174 K197 Y198 R199 E204 F205 V208	T167-M201 HydrophobicContact CG2-CE 3.79Å; E171-M201 HydrophobicContact CG-CE 3.92Å; E171-M201 HydrophobicContact CG-SD 4.21Å; I174-M201 HydrophobicContact CD1-CG 4.34Å; I174-M201 HydrophobicContact CD1-SD 3.62Å; K197-M201 WeakPolarHBondContact O-CB 3.16Å; K197-M201 WeakPolarHBondContact O-CG 3.46Å; K197-M201 PolarHBondContact O-N 3.17Å; Y198-M201 PolarHBondContact O-N 3.03Å; R199-M201 VanDerWaalsContact C-N 3.29Å; R199-M201 PolarHBondContact O-N 3.14Å; M201-E204 PolarHBondContact O-N 3.38Å; M201-F205 HydrophobicContact CB-CD2 4.34Å; M201-F205 WeakPolarHBondContact O-CB 3.22Å; M201-F205 PolarHBondContact O-N 2.98Å; M201-F205 HydrophobicContact SD-CD2 4.14Å; M201-F205 HydrophobicContact SD-CE2 3.81Å; M201-V208 HydrophobicContact CB-CG1 4.2Å; M201-V208 HydrophobicContact CB-CG2 4.16Å; M201-V208 WeakPolarHBondContact O-CG2 3.47Å
202	Y	92.6	Very high	90.2	Very high	112 Å²	112	43.9 Å²	43.9	44%	0.439	20%	0.202	S	C	.	.	H	α-helix	trans	-69.2	-39.5	178.2	-172.9	-87.3	0	0	0	111.7	Y198 R199 E204 Q206 V208	Y198-Y202 HydrophobicContact CE2-CD2 4.06Å; Y198-Y202 WeakPolarHBondContact O-CB 3.44Å; Y198-Y202 PolarHBondContact O-N 3.08Å; R199-Y202 PolarHBondContact O-N 2.9Å; Y202-E204 PolarHBondContact O-N 2.86Å; Y202-Q206 WeakPolarHBondContact CD2-O 3.37Å; Y202-Q206 VanDerWaalsContact CE2-O 3.24Å; Y202-Q206 WeakPolarHBondContact CE2-O 3.45Å; Y202-Q206 WeakPolarHBondContact O-CA 3.14Å; Y202-Q206 PolarHBondContact O-N 2.76Å; Y202-V208 HydrophobicContact CD2-CB 4.15Å
203	E	90.3	Very high	90.2	Very high	128 Å²	128	43.8 Å²	43.8	60%	0.598	20%	0.204	S	C	*	.	H	α-helix	trans	-63.2	-28.9	175	-71.4	177.6	-167.6	0	0	112.4	R199	R199-E203 HydrophobicContact CG-CG 4.43Å; R199-E203 WeakPolarHBondContact CG-OE1 3.27Å; R199-E203 IonicContact CZ-OE1 2.88Å; R199-E203 IonicContact NE-OE1 2.64Å; R199-E203 PolarHBondContact NE-OE1 3.16Å; R199-E203 IonicContact NH2-OE1 3.73Å; R199-E203 PolarHBondContact NH2-OE1 2.82Å; R199-E203 WeakPolarHBondContact O-CG 3.29Å; R199-E203 PolarHBondContact O-N 3.5Å
204	E	91.5	Very high	89.8	Confident	98 Å²	98	46.1 Å²	46.1	46%	0.458	22%	0.216	S	C	.	.	H	α-helix	trans	-90	-50.6	177.5	174.8	72.1	-139.5	0	0	113.6	K133 M201 Y202	K133-E204 IonicContact NZ-OE1 2.68Å; K133-E204 PolarHBondContact NZ-OE1 3.26Å; K133-E204 IonicContact NZ-OE2 2.7Å; K133-E204 PolarHBondContact NZ-OE2 3.17Å; M201-E204 PolarHBondContact O-N 3.38Å; Y202-E204 PolarHBondContact O-N 2.86Å
205	F	93.2	Very high	89.5	Confident	33 Å²	33	48.7 Å²	48.7	15%	0.145	23%	0.232	C	C	.	.	H	α-helix	trans	-105.8	-15.9	-166.5	-63.1	-68.9	0	0	0	115.2	K133 E171 I174 A175 L178 M201 D207 V208	K133-F205 HydrophobicContact CD-CE1 4.4Å; K133-F205 HydrophobicContact CD-CZ 4.08Å; E171-F205 HydrophobicContact CB-CZ 4.32Å; E171-F205 WeakPolarHBondContact O-CZ 3.27Å; I174-F205 HydrophobicContact CB-CE2 4.03Å; I174-F205 HydrophobicContact CB-CZ 4.05Å; I174-F205 HydrophobicContact CD1-CE2 4.3Å; I174-F205 HydrophobicContact CG2-CD1 4.09Å; I174-F205 HydrophobicContact CG2-CD2 3.68Å; I174-F205 HydrophobicContact CG2-CE1 4.02Å; I174-F205 HydrophobicContact CG2-CE2 3.6Å; I174-F205 HydrophobicContact CG2-CG 3.93Å; I174-F205 HydrophobicContact CG2-CZ 3.78Å; A175-F205 HydrophobicContact CB-CE1 3.93Å; A175-F205 HydrophobicContact CB-CZ 4.35Å; L178-F205 HydrophobicContact CD1-CB 4.07Å; L178-F205 HydrophobicContact CD1-CD1 3.7Å; L178-F205 HydrophobicContact CD1-CE1 4.43Å; L178-F205 HydrophobicContact CD1-CG 4.04Å; M201-F205 HydrophobicContact CB-CD2 4.34Å; M201-F205 WeakPolarHBondContact O-CB 3.22Å; M201-F205 PolarHBondContact O-N 2.98Å; M201-F205 HydrophobicContact SD-CD2 4.14Å; M201-F205 HydrophobicContact SD-CE2 3.81Å; F205-D207 PolarHBondContact O-N 3.47Å; F205-V208 HydrophobicContact CB-CG2 3.98Å
206	Q	87.7	Confident	89.7	Confident	149 Å²	149	52.2 Å²	52.2	70%	0.696	25%	0.254	S	S	*	.	S	Bend	trans	61.5	-47.2	-179.3	-55.2	-178.6	2.3	0	0	116.8	Y202 V208	Y202-Q206 WeakPolarHBondContact CD2-O 3.37Å; Y202-Q206 VanDerWaalsContact CE2-O 3.24Å; Y202-Q206 WeakPolarHBondContact CE2-O 3.45Å; Y202-Q206 WeakPolarHBondContact O-CA 3.14Å; Y202-Q206 PolarHBondContact O-N 2.76Å; Q206-V208 PolarHBondContact O-N 3.09Å
207	D	93.4	Very high	90	Very high	62 Å²	62	53.4 Å²	53.4	33%	0.332	26%	0.26	S	S	.	.			trans	-82.3	65.9	175.2	-172.9	30	0	0	0	111.7	F205 A221 S222 C223	F205-D207 PolarHBondContact O-N 3.47Å; D207-A221 WeakPolarHBondContact OD1-CA 3.34Å; D207-S222 WeakPolarHBondContact OD2-CB 3.18Å; D207-S222 PolarHBondContact OD2-N 3.39Å; D207-S222 PolarHBondContact OD2-OG 2.88Å; D207-C223 PolarHBondContact O-N 3.34Å
208	V	96.1	Very high	90.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.3	179.5	-170.1	0	0	0	0	110.5	Y198 M201 Y202 F205 Q206 C223 V225	Y198-V208 HydrophobicContact CD2-CG1 3.97Å; Y198-V208 HydrophobicContact CE2-CG1 4.4Å; M201-V208 HydrophobicContact CB-CG1 4.2Å; M201-V208 HydrophobicContact CB-CG2 4.16Å; M201-V208 WeakPolarHBondContact O-CG2 3.47Å; Y202-V208 HydrophobicContact CD2-CB 4.15Å; F205-V208 HydrophobicContact CB-CG2 3.98Å; Q206-V208 PolarHBondContact O-N 3.09Å; V208-C223 CarbonylContact C-O 3.47Å; V208-C223 VanDerWaalsContact CA-O 3.3Å; V208-C223 WeakPolarHBondContact CA-O 3.28Å; V208-C223 HydrophobicContact CG2-CB 4.17Å; V208-V225 HydrophobicContact CG1-CG2 3.91Å
209	G	96.1	Very high	90.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	163.7	171.6	0	0	0	0	0	112.2	I217 N218 C223 V225	G209-I217 CarbonylContact C-O 3.6Å; G209-I217 VanDerWaalsContact CA-O 3.26Å; G209-I217 WeakPolarHBondContact CA-O 3.29Å; G209-N218 WeakPolarHBondContact CA-O 2.98Å; G209-C223 PolarHBondContact N-O 3.41Å; G209-V225 PolarHBondContact O-N 2.79Å
210	L	95.3	Very high	90.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.9	177.5	177.1	60.3	0	0	0	109.9	Y198 T212 T216 I217 V225 L1041	Y198-L210 HydrophobicContact CD1-CB 4.49Å; Y198-L210 HydrophobicContact CD1-CD2 4.26Å; Y198-L210 HydrophobicContact CD2-CB 3.65Å; Y198-L210 HydrophobicContact CE2-CB 4.1Å; Y198-L210 HydrophobicContact CG-CB 3.87Å; Y198-L210 HydrophobicContact CG-CD2 4.19Å; Y198-L210 HydrophobicContact CG-CG 4.44Å; L210-T212 HydrophobicContact CD1-CG2 3.68Å; L210-T212 HydrophobicContact CG-CG2 4.12Å; L210-T216 CarbonylContact O-C 3.6Å; L210-T216 VanDerWaalsContact O-CA 3.3Å; L210-T216 WeakPolarHBondContact O-CA 3.25Å; L210-I217 HydrophobicContact CB-CB 4.24Å; L210-I217 HydrophobicContact CB-CD1 4.46Å; L210-I217 HydrophobicContact CB-CG1 4.36Å; L210-I217 HydrophobicContact CD2-CD1 4.25Å; L210-I217 PolarHBondContact N-O 3.21Å; L210-I217 PolarHBondContact O-N 3Å; L210-V225 CarbonylContact C-O 3.55Å; L210-V225 VanDerWaalsContact CA-O 3.28Å; L210-V225 WeakPolarHBondContact CA-O 3.47Å; L210-V225 HydrophobicContact CD1-CB 4.41Å; L210-V225 HydrophobicContact CD1-CG1 4.23Å; L210-L1041 HydrophobicContact CD2-CD1 4.43Å; L210-L1041 HydrophobicContact CD2-CD2 3.46Å; L210-L1041 VanDerWaalsContact CD2-CD2 3.46Å
211	M	92.9	Very high	90.8	Very high	28 Å²	28	53.6 Å²	53.6	14%	0.138	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	106.6	173.1	-57.2	-175.9	63.2	0	0	110.8	T216 P219 L224 V225 M226 T227 I230 M234	M211-T216 HydrophobicContact CG-CG2 4.31Å; M211-P219 HydrophobicContact SD-CB 4.13Å; M211-L224 HydrophobicContact SD-CD1 4.27Å; M211-L224 HydrophobicContact SD-CD2 4.44Å; M211-V225 PolarHBondContact N-O 3.48Å; M211-M226 HydrophobicContact CB-CB 4.05Å; M211-M226 WeakPolarHBondContact O-CA 3.44Å; M211-M226 WeakPolarHBondContact O-CB 3.48Å; M211-M226 HydrophobicContact SD-CE 4.11Å; M211-T227 PolarHBondContact O-N 2.81Å; M211-I230 HydrophobicContact CB-CG2 3.93Å; M211-I230 HydrophobicContact CE-CG2 4.38Å; M211-M234 HydrophobicContact CE-CE 4.45Å; M211-M234 HydrophobicContact CE-SD 3.75Å; M211-M234 HydrophobicContact SD-CE 4.48Å; M211-M234 HydrophobicContact SD-SD 4.09Å
212	T	89.4	Confident	90.9	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.037	30%	0.295	C	S	.	.			trans	-126.1	169.2	174.3	68.6	0	0	0	0	109.8	L210 D214 V215 T227	L210-T212 HydrophobicContact CD1-CG2 3.68Å; L210-T212 HydrophobicContact CG-CG2 4.12Å; T212-D214 PolarHBondContact O-N 2.87Å; T212-D214 PolarHBondContact OG1-N 3.04Å; T212-V215 PolarHBondContact N-O 3.5Å; T212-V215 PolarHBondContact OG1-N 2.85Å; T212-V215 PolarHBondContact OG1-O 3Å; T212-T227 HydrophobicContact CG2-CG2 4.42Å
213	G	79.2	Confident	91.2	Very high	23 Å²	23	50 Å²	50	24%	0.237	27%	0.274	C	S	.	.	S	Bend	trans	-62.3	-20.9	171.9	0	0	0	0	0	114.5
214	D	76.9	Confident	91.5	Very high	62 Å²	62	44 Å²	44	33%	0.332	25%	0.246	S	C	.	.	S	Bend	trans	-96.6	-37.7	-176.7	-64.5	1.1	0	0	0	112.2	K191 T212	K191-D214 IonicContact NZ-OD1 2.75Å; K191-D214 PolarHBondContact NZ-OD1 3.27Å; K191-D214 IonicContact NZ-OD2 3.42Å; T212-D214 PolarHBondContact O-N 2.87Å; T212-D214 PolarHBondContact OG1-N 3.04Å
215	V	83.3	Confident	91.8	Very high	55 Å²	55	39.3 Å²	39.3	33%	0.333	22%	0.224	S	C	.	.			trans	-143.9	140.5	-168.9	-170.8	0	0	0	0	110.8	T212 I217 L1041	T212-V215 PolarHBondContact N-O 3.5Å; T212-V215 PolarHBondContact OG1-N 2.85Å; T212-V215 PolarHBondContact OG1-O 3Å; V215-I217 HydrophobicContact CG1-CD1 4.12Å; V215-I217 HydrophobicContact CG1-CG1 3.81Å; V215-L1041 HydrophobicContact CB-CD1 4.38Å; V215-L1041 HydrophobicContact CG1-CD1 4.29Å; V215-L1041 HydrophobicContact CG2-CD1 4Å
216	T	90.1	Very high	91.9	Very high	86 Å²	86	37.7 Å²	37.7	53%	0.528	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.9	171.1	-66	0	0	0	0	109.9	L210 M211 P219	L210-T216 CarbonylContact O-C 3.6Å; L210-T216 VanDerWaalsContact O-CA 3.3Å; L210-T216 WeakPolarHBondContact O-CA 3.25Å; M211-T216 HydrophobicContact CG-CG2 4.31Å; T216-P219 HydrophobicContact CG2-CB 4.13Å; T216-P219 HydrophobicContact CG2-CG 4.16Å
217	I	92.1	Very high	92.2	Very high	49 Å²	49	30.8 Å²	30.8	25%	0.251	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134	-179.3	-46.9	179.5	0	0	0	108.4	Y198 G209 L210 V215 L1041	Y198-I217 HydrophobicContact CE1-CD1 4.21Å; G209-I217 CarbonylContact C-O 3.6Å; G209-I217 VanDerWaalsContact CA-O 3.26Å; G209-I217 WeakPolarHBondContact CA-O 3.29Å; L210-I217 HydrophobicContact CB-CB 4.24Å; L210-I217 HydrophobicContact CB-CD1 4.46Å; L210-I217 HydrophobicContact CB-CG1 4.36Å; L210-I217 HydrophobicContact CD2-CD1 4.25Å; L210-I217 PolarHBondContact N-O 3.21Å; L210-I217 PolarHBondContact O-N 3Å; V215-I217 HydrophobicContact CG1-CD1 4.12Å; V215-I217 HydrophobicContact CG1-CG1 3.81Å; I217-L1041 HydrophobicContact CD1-CD2 4.38Å
218	N	93.6	Very high	92.2	Very high	59 Å²	59	27.9 Å²	27.9	32%	0.316	17%	0.169	S	C	.	.			trans	39.6	59.9	178.1	-168.8	15.5	0	0	0	114.9	G209 T220 A221	G209-N218 WeakPolarHBondContact CA-O 2.98Å; N218-T220 PolarHBondContact O-N 3.17Å; N218-T220 PolarHBondContact OD1-OG1 3.04Å; N218-A221 HydrophobicContact CB-CB 4.46Å; N218-A221 WeakPolarHBondContact ND2-CB 3.27Å; N218-A221 VanDerWaalsContact O-CB 3.3Å; N218-A221 WeakPolarHBondContact O-CB 3.44Å; N218-A221 PolarHBondContact O-N 2.66Å; N218-A221 PolarHBondContact OD1-N 3.28Å
219	P	93.1	Very high	92.1	Very high	59 Å²	59	30 Å²	30	38%	0.383	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-9.4	179.5	29.6	-36.7	0	0	0	113.7	R183 M211 T216	R183-P219 PolarHBondContact NH2-O 2.67Å; M211-P219 HydrophobicContact SD-CB 4.13Å; T216-P219 HydrophobicContact CG2-CB 4.13Å; T216-P219 HydrophobicContact CG2-CG 4.16Å
220	T	92.3	Very high	91.9	Very high	112 Å²	112	31.8 Å²	31.8	69%	0.687	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-6.9	173.7	37.5	0	0	0	0	114.3	R183 N218	R183-T220 PolarHBondContact NH2-O 3.37Å; N218-T220 PolarHBondContact O-N 3.17Å; N218-T220 PolarHBondContact OD1-OG1 3.04Å
221	A	95.4	Very high	91.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.188	C	C	.	.			trans	-60.3	150.7	-176.8	0	0	0	0	0	113.9	R183 D207 N218 C223 L224	R183-A221 VanDerWaalsContact CZ-O 3.31Å; R183-A221 PolarHBondContact NE-O 3.03Å; R183-A221 PolarHBondContact NH2-O 2.86Å; D207-A221 WeakPolarHBondContact OD1-CA 3.34Å; N218-A221 HydrophobicContact CB-CB 4.46Å; N218-A221 WeakPolarHBondContact ND2-CB 3.27Å; N218-A221 VanDerWaalsContact O-CB 3.3Å; N218-A221 WeakPolarHBondContact O-CB 3.44Å; N218-A221 PolarHBondContact O-N 2.66Å; N218-A221 PolarHBondContact OD1-N 3.28Å; A221-C223 WeakPolarHBondContact CB-O 3.49Å; A221-L224 HydrophobicContact CB-CD2 4.03Å
222	S	95.6	Very high	92	Very high	40 Å²	40	31.8 Å²	31.8	28%	0.28	19%	0.187	S	C	.	.	S	Bend	trans	-68.4	-34.9	173.7	-53.4	0	0	0	0	112.4	R183 V184 D207	R183-S222 VanDerWaalsContact CA-O 3.27Å; R183-S222 WeakPolarHBondContact CA-O 3.4Å; R183-S222 WeakPolarHBondContact CB-O 3.46Å; V184-S222 PolarHBondContact N-O 3.01Å; D207-S222 WeakPolarHBondContact OD2-CB 3.18Å; D207-S222 PolarHBondContact OD2-N 3.39Å; D207-S222 PolarHBondContact OD2-OG 2.88Å
223	C	97.4	Very high	92	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.6	171.2	178.6	0	0	0	0	110.8	I174 V184 D207 V208 G209 A221	I174-C223 HydrophobicContact CG2-CB 4.32Å; V184-C223 HydrophobicContact CG1-CB 3.8Å; V184-C223 WeakPolarHBondContact O-CA 3.33Å; D207-C223 PolarHBondContact O-N 3.34Å; V208-C223 CarbonylContact C-O 3.47Å; V208-C223 VanDerWaalsContact CA-O 3.3Å; V208-C223 WeakPolarHBondContact CA-O 3.28Å; V208-C223 HydrophobicContact CG2-CB 4.17Å; G209-C223 PolarHBondContact N-O 3.41Å; A221-C223 WeakPolarHBondContact CB-O 3.49Å
224	L	97.3	Very high	92.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.8	178.3	-66.7	175	0	0	0	111.6	V184 I185 F186 M211 A221 M226 V241	V184-L224 PolarHBondContact O-N 2.99Å; I185-L224 CarbonylContact C-O 3.47Å; I185-L224 WeakPolarHBondContact CA-O 3.29Å; I185-L224 HydrophobicContact CG1-CB 4.43Å; F186-L224 PolarHBondContact N-O 2.86Å; M211-L224 HydrophobicContact SD-CD1 4.27Å; M211-L224 HydrophobicContact SD-CD2 4.44Å; A221-L224 HydrophobicContact CB-CD2 4.03Å; L224-M226 HydrophobicContact CB-CE 3.78Å; L224-M226 HydrophobicContact CD1-CE 4.04Å; L224-V241 HydrophobicContact CD1-CG1 3.75Å
225	V	96.8	Very high	93.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.2	168.7	-179.7	0	0	0	0	109.2	F186 S194 K197 V208 G209 L210 M211	F186-V225 HydrophobicContact CB-CG2 4.22Å; F186-V225 HydrophobicContact CD1-CG1 4.26Å; F186-V225 CarbonylContact O-C 3.56Å; F186-V225 WeakPolarHBondContact O-CA 3.37Å; S194-V225 WeakPolarHBondContact O-CG1 3.23Å; K197-V225 HydrophobicContact CB-CG1 4.16Å; V208-V225 HydrophobicContact CG1-CG2 3.91Å; G209-V225 PolarHBondContact O-N 2.79Å; L210-V225 CarbonylContact C-O 3.55Å; L210-V225 VanDerWaalsContact CA-O 3.28Å; L210-V225 WeakPolarHBondContact CA-O 3.47Å; L210-V225 HydrophobicContact CD1-CB 4.41Å; L210-V225 HydrophobicContact CD1-CG1 4.23Å; M211-V225 PolarHBondContact N-O 3.48Å
226	M	95.8	Very high	93.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	172.6	-179.7	61.1	-179.5	70.3	0	0	113.7	I185 F186 T187 S188 M211 L224 I230 L231 M234	I185-M226 HydrophobicContact CD1-CE 4.03Å; I185-M226 HydrophobicContact CD1-SD 4.45Å; I185-M226 HydrophobicContact CG1-CE 4.31Å; I185-M226 HydrophobicContact CG2-CE 3.85Å; I185-M226 HydrophobicContact CG2-CG 3.73Å; I185-M226 HydrophobicContact CG2-SD 3.67Å; F186-M226 PolarHBondContact O-N 2.87Å; T187-M226 WeakPolarHBondContact CA-O 3.45Å; T187-M226 HydrophobicContact CG2-CG 4.24Å; S188-M226 PolarHBondContact N-O 2.86Å; S188-M226 PolarHBondContact OG-O 3.05Å; S188-M226 VanDerWaalsContact OG-O 3.11Å; M211-M226 HydrophobicContact CB-CB 4.05Å; M211-M226 WeakPolarHBondContact O-CA 3.44Å; M211-M226 WeakPolarHBondContact O-CB 3.48Å; M211-M226 HydrophobicContact SD-CE 4.11Å; L224-M226 HydrophobicContact CB-CE 3.78Å; L224-M226 HydrophobicContact CD1-CE 4.04Å; M226-I230 HydrophobicContact CB-CB 4.46Å; M226-I230 HydrophobicContact CB-CG2 4.44Å; M226-I230 HydrophobicContact SD-CG2 4.29Å; M226-L231 HydrophobicContact SD-CB 3.77Å; M226-L231 HydrophobicContact SD-CD1 4.18Å; M226-L231 HydrophobicContact SD-CG 4.5Å; M226-M234 HydrophobicContact CE-SD 3.97Å; M226-M234 HydrophobicContact SD-SD 4.25Å
227	T	94.3	Very high	93.7	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.025	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	153.2	164.6	75.4	0	0	0	0	110.9	S188 K191 S194 M211 T212 E229 I230 L231	S188-T227 WeakPolarHBondContact O-CA 3.27Å; K191-T227 HydrophobicContact CG-CG2 4.01Å; S194-T227 WeakPolarHBondContact OG-CG2 3.36Å; M211-T227 PolarHBondContact O-N 2.81Å; T212-T227 HydrophobicContact CG2-CG2 4.42Å; T227-E229 WeakPolarHBondContact CB-OE2 3.47Å; T227-E229 PolarHBondContact O-N 3.03Å; T227-E229 PolarHBondContact OG1-OE2 3.08Å; T227-E229 VanDerWaalsContact OG1-OE2 3.08Å; T227-I230 WeakPolarHBondContact O-CB 3.29Å; T227-I230 PolarHBondContact O-N 2.95Å; T227-L231 PolarHBondContact O-N 2.74Å
228	T	94.3	Very high	93.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-33.4	-178.7	-40.9	0	0	0	0	112.5	I230 L231 R232 F250 V264 W265 T268	T228-I230 VanDerWaalsContact C-N 3.29Å; T228-I230 PolarHBondContact O-N 3.03Å; T228-L231 PolarHBondContact O-N 2.66Å; T228-R232 PolarHBondContact O-N 2.91Å; T228-F250 HydrophobicContact CG2-CE1 4.43Å; T228-V264 HydrophobicContact CG2-CG1 4.34Å; T228-W265 HydrophobicContact CG2-CD2 3.94Å; T228-W265 HydrophobicContact CG2-CE3 4.17Å; T228-W265 HydrophobicContact CG2-CG 4.18Å; T228-W265 WeakPolarHBondContact OG1-CH2 3.38Å; T228-W265 WeakPolarHBondContact OG1-CZ2 3.24Å; T228-T268 HydrophobicContact CG2-CG2 4.21Å
229	E	92.1	Very high	93.2	Very high	45 Å²	45	30.9 Å²	30.9	21%	0.21	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-35.4	173.8	-65.3	77.8	-172.8	0	0	113.5	T227 S233 R261 V264	T227-E229 WeakPolarHBondContact CB-OE2 3.47Å; T227-E229 PolarHBondContact O-N 3.03Å; T227-E229 PolarHBondContact OG1-OE2 3.08Å; T227-E229 VanDerWaalsContact OG1-OE2 3.08Å; E229-S233 WeakPolarHBondContact O-CB 3.39Å; E229-S233 PolarHBondContact O-N 3.26Å; E229-R261 VanDerWaalsContact CD-NH2 3.34Å; E229-R261 IonicContact OE1-CZ 3.08Å; E229-R261 IonicContact OE1-NE 2.74Å; E229-R261 PolarHBondContact OE1-NE 2.92Å; E229-R261 IonicContact OE1-NH2 3Å; E229-R261 PolarHBondContact OE1-NH2 3.47Å; E229-R261 IonicContact OE2-NH2 3.02Å; E229-R261 PolarHBondContact OE2-NH2 2.78Å; E229-V264 HydrophobicContact CG-CG1 4.13Å
230	I	92.5	Very high	92.9	Very high	37 Å²	37	34.1 Å²	34.1	19%	0.19	19%	0.19	C	C	.	.	H	α-helix	trans	-73.3	-42.1	179	-63.9	-63.8	0	0	0	110.1	M211 M226 T227 T228 R232 S233 M234	M211-I230 HydrophobicContact CB-CG2 3.93Å; M211-I230 HydrophobicContact CE-CG2 4.38Å; M226-I230 HydrophobicContact CB-CB 4.46Å; M226-I230 HydrophobicContact CB-CG2 4.44Å; M226-I230 HydrophobicContact SD-CG2 4.29Å; T227-I230 WeakPolarHBondContact O-CB 3.29Å; T227-I230 PolarHBondContact O-N 2.95Å; T228-I230 VanDerWaalsContact C-N 3.29Å; T228-I230 PolarHBondContact O-N 3.03Å; I230-R232 VanDerWaalsContact C-N 3.35Å; I230-R232 PolarHBondContact O-N 2.69Å; I230-S233 PolarHBondContact O-N 2.78Å; I230-S233 VanDerWaalsContact O-N 3.15Å; I230-M234 HydrophobicContact CG2-SD 4.07Å; I230-M234 WeakPolarHBondContact O-CG 3.24Å; I230-M234 PolarHBondContact O-N 3.13Å
231	L	95.4	Very high	92.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-46.3	174	-175.5	54.8	0	0	0	111	I185 T187 M226 T227 T228 S233 M234 L235 M242 V248 T268 L272	I185-L231 HydrophobicContact CD1-CD1 3.77Å; I185-L231 HydrophobicContact CG2-CD2 4.37Å; T187-L231 HydrophobicContact CG2-CB 4.28Å; T187-L231 HydrophobicContact CG2-CD2 3.57Å; M226-L231 HydrophobicContact SD-CB 3.77Å; M226-L231 HydrophobicContact SD-CD1 4.18Å; M226-L231 HydrophobicContact SD-CG 4.5Å; T227-L231 PolarHBondContact O-N 2.74Å; T228-L231 PolarHBondContact O-N 2.66Å; L231-S233 VanDerWaalsContact C-N 3.34Å; L231-S233 PolarHBondContact O-N 2.78Å; L231-M234 PolarHBondContact O-N 3.15Å; L231-M234 VanDerWaalsContact O-N 3.17Å; L231-L235 HydrophobicContact CD1-CD1 4.4Å; L231-L235 HydrophobicContact CD1-CG 4.45Å; L231-L235 HydrophobicContact CG-CD1 4.09Å; L231-L235 WeakPolarHBondContact O-CG 3.33Å; L231-L235 PolarHBondContact O-N 3.06Å; L231-M242 HydrophobicContact CD1-SD 3.68Å; L231-V248 HydrophobicContact CD2-CG1 3.96Å; L231-T268 HydrophobicContact CB-CG2 4.16Å; L231-T268 HydrophobicContact CD2-CG2 3.64Å; L231-T268 HydrophobicContact CG-CG2 3.73Å; L231-L272 HydrophobicContact CD2-CD1 4.48Å
232	R	94.4	Very high	92.6	Very high	28 Å²	28	30.8 Å²	30.8	11%	0.106	17%	0.168	C	C	.	.	H	α-helix	trans	-54	-47.8	172.1	-175.3	-177.3	63	163.9	3.8	112.4	T228 I230 M234 L235 Y236 V264 E267	T228-R232 PolarHBondContact O-N 2.91Å; I230-R232 VanDerWaalsContact C-N 3.35Å; I230-R232 PolarHBondContact O-N 2.69Å; R232-M234 VanDerWaalsContact C-N 3.31Å; R232-M234 PolarHBondContact O-N 2.86Å; R232-L235 PolarHBondContact O-N 3.42Å; R232-Y236 HydrophobicContact CG-CD2 3.85Å; R232-Y236 HydrophobicContact CG-CE2 3.84Å; R232-Y236 PolarHBondContact O-N 2.98Å; R232-V264 HydrophobicContact CB-CG1 4.38Å; R232-E267 WeakPolarHBondContact CD-OE2 3.46Å; R232-E267 HydrophobicContact CG-CG 4.39Å; R232-E267 IonicContact CZ-OE2 2.61Å; R232-E267 IonicContact NE-OE2 2.64Å; R232-E267 IonicContact NH1-OE1 3.92Å; R232-E267 IonicContact NH1-OE2 2.66Å; R232-E267 PolarHBondContact NH1-OE2 3.13Å
233	S	90.8	Very high	92.2	Very high	38 Å²	38	37.8 Å²	37.8	27%	0.266	19%	0.188	S	C	.	.	H	α-helix	trans	-64	-36	179.8	-170.7	0	0	0	0	112.3	E229 I230 L231 R237	E229-S233 WeakPolarHBondContact O-CB 3.39Å; E229-S233 PolarHBondContact O-N 3.26Å; I230-S233 PolarHBondContact O-N 2.78Å; I230-S233 VanDerWaalsContact O-N 3.15Å; L231-S233 VanDerWaalsContact C-N 3.34Å; L231-S233 PolarHBondContact O-N 2.78Å; S233-R237 WeakPolarHBondContact O-CB 3.42Å; S233-R237 VanDerWaalsContact O-CG 3.32Å; S233-R237 WeakPolarHBondContact O-CG 3.34Å; S233-R237 PolarHBondContact O-N 2.85Å; S233-R237 VanDerWaalsContact O-N 3.16Å; S233-R237 PolarHBondContact OG-NH1 3.15Å
234	M	91.4	Very high	91.9	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.069	21%	0.212	C	C	.	.	H	α-helix	trans	-68.6	-38.7	175	-72.2	175.5	65.1	0	0	112.3	M211 M226 I230 L231 R232 R237 G238 S239 V241	M211-M234 HydrophobicContact CE-CE 4.45Å; M211-M234 HydrophobicContact CE-SD 3.75Å; M211-M234 HydrophobicContact SD-CE 4.48Å; M211-M234 HydrophobicContact SD-SD 4.09Å; M226-M234 HydrophobicContact CE-SD 3.97Å; M226-M234 HydrophobicContact SD-SD 4.25Å; I230-M234 HydrophobicContact CG2-SD 4.07Å; I230-M234 WeakPolarHBondContact O-CG 3.24Å; I230-M234 PolarHBondContact O-N 3.13Å; L231-M234 PolarHBondContact O-N 3.15Å; L231-M234 VanDerWaalsContact O-N 3.17Å; R232-M234 VanDerWaalsContact C-N 3.31Å; R232-M234 PolarHBondContact O-N 2.86Å; M234-R237 PolarHBondContact O-N 3.03Å; M234-G238 PolarHBondContact O-N 3.46Å; M234-G238 VanDerWaalsContact O-N 3.15Å; M234-S239 WeakPolarHBondContact O-CB 3.29Å; M234-S239 PolarHBondContact O-N 3.45Å; M234-V241 HydrophobicContact CE-CB 3.74Å; M234-V241 HydrophobicContact CE-CG1 3.9Å; M234-V241 HydrophobicContact CE-CG2 3.89Å
235	L	93	Very high	91.8	Very high	26 Å²	26	43 Å²	43	14%	0.136	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-50.9	174.6	-68.8	164	0	0	0	111.2	L231 R232 R237 G238 M242 T268 L271 L272	L231-L235 HydrophobicContact CD1-CD1 4.4Å; L231-L235 HydrophobicContact CD1-CG 4.45Å; L231-L235 HydrophobicContact CG-CD1 4.09Å; L231-L235 WeakPolarHBondContact O-CG 3.33Å; L231-L235 PolarHBondContact O-N 3.06Å; R232-L235 PolarHBondContact O-N 3.42Å; L235-R237 PolarHBondContact O-N 2.67Å; L235-R237 VanDerWaalsContact O-N 3.12Å; L235-G238 PolarHBondContact O-N 3.34Å; L235-M242 HydrophobicContact CD2-CE 4.17Å; L235-M242 HydrophobicContact CD2-CG 3.92Å; L235-M242 HydrophobicContact CD2-SD 4.2Å; L235-T268 HydrophobicContact CD1-CG2 3.96Å; L235-L271 HydrophobicContact CB-CB 4.17Å; L235-L271 HydrophobicContact CB-CD1 4.33Å; L235-L271 HydrophobicContact CD1-CB 3.91Å; L235-L271 HydrophobicContact CG-CB 4.47Å; L235-L272 HydrophobicContact CD1-CD2 4.18Å; L235-L272 HydrophobicContact CD1-CG 4.15Å; L235-L272 HydrophobicContact CD2-CD2 4.14Å
236	Y	91.3	Very high	91.8	Very high	11 Å²	11	43.4 Å²	43.4	4%	0.043	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-13.7	176.5	-80.2	-42.7	0	0	0	115	R232 E267 L271 N571 L572 R574	R232-Y236 HydrophobicContact CG-CD2 3.85Å; R232-Y236 HydrophobicContact CG-CE2 3.84Å; R232-Y236 PolarHBondContact O-N 2.98Å; Y236-E267 HydrophobicContact CE2-CG 4.35Å; Y236-E267 VanDerWaalsContact CE2-OE1 3.28Å; Y236-E267 WeakPolarHBondContact CE2-OE1 3.41Å; Y236-E267 PolarHBondContact OH-OE1 3.26Å; Y236-L271 HydrophobicContact CD1-CD1 3.91Å; Y236-L271 HydrophobicContact CD2-CD1 4.44Å; Y236-L271 HydrophobicContact CE1-CD1 3.6Å; Y236-L271 HydrophobicContact CE1-CD2 4.22Å; Y236-L271 HydrophobicContact CE2-CD1 4.16Å; Y236-L271 HydrophobicContact CG-CD1 4.32Å; Y236-N571 HydrophobicContact CD1-CB 3.61Å; Y236-N571 HydrophobicContact CD2-CB 3.99Å; Y236-N571 HydrophobicContact CE1-CB 3.63Å; Y236-N571 HydrophobicContact CE2-CB 4.01Å; Y236-N571 HydrophobicContact CG-CB 3.8Å; Y236-L572 HydrophobicContact CE1-CD2 3.84Å; Y236-L572 HydrophobicContact CE1-CG 4.06Å; Y236-R574 PolarHBondContact O-NH2 2.85Å
237	R	88	Confident	91.9	Very high	138 Å²	138	43.5 Å²	43.5	52%	0.521	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-0.3	172.9	-73.1	174.9	170.9	158.4	-5	113.5	S233 M234 L235 S239 E878	S233-R237 WeakPolarHBondContact O-CB 3.42Å; S233-R237 VanDerWaalsContact O-CG 3.32Å; S233-R237 WeakPolarHBondContact O-CG 3.34Å; S233-R237 PolarHBondContact O-N 2.85Å; S233-R237 VanDerWaalsContact O-N 3.16Å; S233-R237 PolarHBondContact OG-NH1 3.15Å; M234-R237 PolarHBondContact O-N 3.03Å; L235-R237 PolarHBondContact O-N 2.67Å; L235-R237 VanDerWaalsContact O-N 3.12Å; R237-S239 VanDerWaalsContact C-N 3.33Å; R237-S239 PolarHBondContact O-N 3.23Å; R237-E878 IonicContact CZ-OE2 2.66Å; R237-E878 IonicContact NE-OE2 3.45Å; R237-E878 PolarHBondContact NE-OE2 2.68Å; R237-E878 IonicContact NH2-OE2 2.69Å; R237-E878 PolarHBondContact NH2-OE2 2.85Å
238	G	87.1	Confident	92.1	Very high	57 Å²	57	43.3 Å²	43.3	59%	0.588	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	37.2	-179.1	0	0	0	0	0	113.6	M234 L235 E240	M234-G238 PolarHBondContact O-N 3.46Å; M234-G238 VanDerWaalsContact O-N 3.15Å; L235-G238 PolarHBondContact O-N 3.34Å; G238-E240 PolarHBondContact O-N 2.99Å
239	S	88.3	Confident	92.2	Very high	37 Å²	37	43.3 Å²	43.3	26%	0.259	22%	0.216	S	C	.	.			trans	-59.3	129.4	-173.2	-171.7	0	0	0	0	112.4	M234 R237 V241 M242	M234-S239 WeakPolarHBondContact O-CB 3.29Å; M234-S239 PolarHBondContact O-N 3.45Å; R237-S239 VanDerWaalsContact C-N 3.33Å; R237-S239 PolarHBondContact O-N 3.23Å; S239-V241 PolarHBondContact O-N 2.89Å; S239-V241 VanDerWaalsContact O-N 3.08Å; S239-M242 PolarHBondContact O-N 3.03Å
240	E	88.3	Confident	92.5	Very high	128 Å²	128	41.1 Å²	41.1	60%	0.598	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-60.6	-23.9	-175.7	-56.3	-161.3	119.4	0	0	113.7	G238 M242 R243	G238-E240 PolarHBondContact O-N 2.99Å; E240-M242 PolarHBondContact O-N 3.17Å; E240-M242 VanDerWaalsContact O-N 3.14Å; E240-R243 WeakPolarHBondContact O-CB 3.49Å; E240-R243 PolarHBondContact O-N 3.14Å; E240-R243 IonicContact OE1-CZ 2.78Å; E240-R243 IonicContact OE1-NH1 3.43Å; E240-R243 PolarHBondContact OE1-NH1 3.08Å; E240-R243 IonicContact OE1-NH2 3.57Å; E240-R243 PolarHBondContact OE1-NH2 3.39Å
241	V	89.9	Confident	92.6	Very high	23 Å²	23	40 Å²	40	14%	0.139	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-48.6	-39.4	172.2	177	0	0	0	0	111.5	L224 M234 S239 R243 E244 V245	L224-V241 HydrophobicContact CD1-CG1 3.75Å; M234-V241 HydrophobicContact CE-CB 3.74Å; M234-V241 HydrophobicContact CE-CG1 3.9Å; M234-V241 HydrophobicContact CE-CG2 3.89Å; S239-V241 PolarHBondContact O-N 2.89Å; S239-V241 VanDerWaalsContact O-N 3.08Å; V241-R243 PolarHBondContact O-N 3.04Å; V241-R243 VanDerWaalsContact O-N 3.17Å; V241-E244 PolarHBondContact O-N 2.77Å; V241-E244 VanDerWaalsContact O-N 3.17Å; V241-V245 HydrophobicContact CG1-CG2 4.44Å; V241-V245 WeakPolarHBondContact O-CG2 3.49Å
242	M	89.6	Confident	92.4	Very high	19 Å²	19	40.7 Å²	40.7	9%	0.094	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-66.3	-16.5	-177.7	-70.7	-55.1	-45.9	0	0	114.4	I185 L231 L235 S239 E240 E244 V245 L272	I185-M242 HydrophobicContact CD1-SD 3.81Å; L231-M242 HydrophobicContact CD1-SD 3.68Å; L235-M242 HydrophobicContact CD2-CE 4.17Å; L235-M242 HydrophobicContact CD2-CG 3.92Å; L235-M242 HydrophobicContact CD2-SD 4.2Å; S239-M242 PolarHBondContact O-N 3.03Å; E240-M242 PolarHBondContact O-N 3.17Å; E240-M242 VanDerWaalsContact O-N 3.14Å; M242-E244 VanDerWaalsContact C-N 3.27Å; M242-E244 PolarHBondContact O-N 3.35Å; M242-V245 HydrophobicContact CE-CB 4.22Å; M242-V245 HydrophobicContact CE-CG1 4.35Å; M242-V245 HydrophobicContact SD-CG2 4.41Å; M242-L272 HydrophobicContact CE-CD2 3.44Å; M242-L272 VanDerWaalsContact CE-CD2 3.44Å
243	R	88.3	Confident	92.4	Very high	186 Å²	186	39.4 Å²	39.4	70%	0.702	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-73.4	-20.2	176	-61.5	-178.7	-173.6	144.5	5.4	113.3	E240 V241	E240-R243 WeakPolarHBondContact O-CB 3.49Å; E240-R243 PolarHBondContact O-N 3.14Å; E240-R243 IonicContact OE1-CZ 2.78Å; E240-R243 IonicContact OE1-NH1 3.43Å; E240-R243 PolarHBondContact OE1-NH1 3.08Å; E240-R243 IonicContact OE1-NH2 3.57Å; E240-R243 PolarHBondContact OE1-NH2 3.39Å; V241-R243 PolarHBondContact O-N 3.04Å; V241-R243 VanDerWaalsContact O-N 3.17Å
244	E	90.4	Very high	92.5	Very high	107 Å²	107	37.8 Å²	37.8	50%	0.5	19%	0.187	S	C	.	.	S	Bend	trans	-103.9	-8	-174.1	-59.8	175.8	139.2	0	0	112.4	R183 V241 M242	R183-E244 HydrophobicContact CB-CB 4.26Å; R183-E244 WeakPolarHBondContact CD-OE2 3.46Å; R183-E244 HydrophobicContact CG-CB 3.9Å; R183-E244 IonicContact CZ-OE2 2.86Å; R183-E244 PolarHBondContact N-O 2.75Å; R183-E244 IonicContact NE-OE2 2.67Å; R183-E244 IonicContact NH1-OE2 3.63Å; R183-E244 PolarHBondContact NH1-OE2 2.86Å; V241-E244 PolarHBondContact O-N 2.77Å; V241-E244 VanDerWaalsContact O-N 3.17Å; M242-E244 VanDerWaalsContact C-N 3.27Å; M242-E244 PolarHBondContact O-N 3.35Å
245	V	95.6	Very high	92.4	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.4	-176.1	174.2	0	0	0	0	110.4	R183 I185 V241 M242 W247 V248 V276	R183-V245 HydrophobicContact CB-CG2 4.15Å; R183-V245 WeakPolarHBondContact O-CA 3.18Å; I185-V245 HydrophobicContact CD1-CG1 4.47Å; I185-V245 HydrophobicContact CD1-CG2 3.77Å; I185-V245 HydrophobicContact CG1-CG1 4.3Å; I185-V245 HydrophobicContact CG1-CG2 3.86Å; V241-V245 HydrophobicContact CG1-CG2 4.44Å; V241-V245 WeakPolarHBondContact O-CG2 3.49Å; M242-V245 HydrophobicContact CE-CB 4.22Å; M242-V245 HydrophobicContact CE-CG1 4.35Å; M242-V245 HydrophobicContact SD-CG2 4.41Å; V245-W247 WeakPolarHBondContact CG1-O 3.45Å; V245-V248 HydrophobicContact CG1-CG2 3.77Å; V245-V276 HydrophobicContact CG1-CG1 4.47Å
246	A	96.1	Very high	92.4	Very high	10 Å²	10	37 Å²	37	8%	0.083	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-28.9	172.8	0	0	0	0	0	112.8	Q182 R183 H277	Q182-A246 HydrophobicContact CB-CB 3.73Å; Q182-A246 HydrophobicContact CG-CB 4.02Å; Q182-A246 VanDerWaalsContact OE1-CB 3.23Å; R183-A246 PolarHBondContact O-N 2.78Å; A246-H277 PolarHBondContact O-N 2.96Å
247	W	98.1	Very high	92.4	Very high	1 Å²	1	40 Å²	40	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.2	-176.8	-73.1	93.9	0	0	0	111.9	V150 L176 V184 I185 V245 H277 V279	V150-W247 HydrophobicContact CB-CH2 4.27Å; V150-W247 HydrophobicContact CG1-CH2 4.12Å; V150-W247 HydrophobicContact CG1-CZ2 4.05Å; V150-W247 HydrophobicContact CG2-CH2 4.1Å; V150-W247 HydrophobicContact CG2-CZ3 4.29Å; L176-W247 HydrophobicContact CD2-CZ2 4.35Å; V184-W247 WeakPolarHBondContact CA-O 3.05Å; V184-W247 HydrophobicContact CB-CB 4.49Å; V184-W247 HydrophobicContact CG2-CB 3.99Å; I185-W247 PolarHBondContact N-O 2.87Å; V245-W247 WeakPolarHBondContact CG1-O 3.45Å; W247-H277 WeakPolarHBondContact CA-O 3.14Å; W247-H277 HydrophobicContact CD2-CB 3.82Å; W247-H277 HydrophobicContact CE3-CB 3.53Å; W247-H277 HydrophobicContact CH2-CB 3.7Å; W247-H277 HydrophobicContact CZ2-CB 3.97Å; W247-H277 HydrophobicContact CZ3-CB 3.47Å; W247-H277 VanDerWaalsContact CZ3-CB 3.47Å; W247-V279 HydrophobicContact CE3-CG2 3.85Å; W247-V279 HydrophobicContact CZ3-CG2 3.78Å
248	V	98.3	Very high	92.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.1	167.4	179.1	0	0	0	0	109.6	I185 T187 L231 V245 F250 L272 V276 H277 Y278 V279	I185-V248 HydrophobicContact CB-CG2 4.34Å; I185-V248 WeakPolarHBondContact O-CA 2.98Å; T187-V248 HydrophobicContact CG2-CG1 4.36Å; L231-V248 HydrophobicContact CD2-CG1 3.96Å; V245-V248 HydrophobicContact CG1-CG2 3.77Å; V248-F250 HydrophobicContact CB-CE2 4.28Å; V248-F250 HydrophobicContact CG1-CD2 3.98Å; V248-F250 HydrophobicContact CG1-CE1 4.36Å; V248-F250 HydrophobicContact CG1-CE2 3.56Å; V248-F250 HydrophobicContact CG1-CZ 3.79Å; V248-L272 HydrophobicContact CB-CD1 4.38Å; V248-L272 HydrophobicContact CG1-CD1 4.2Å; V248-L272 HydrophobicContact CG2-CD1 4.29Å; V248-L272 HydrophobicContact CG2-CD2 4.08Å; V248-V276 HydrophobicContact CB-CG1 4.25Å; V248-V276 HydrophobicContact CG2-CG1 3.72Å; V248-H277 PolarHBondContact N-O 2.83Å; V248-Y278 HydrophobicContact CB-CD1 4.25Å; V248-Y278 WeakPolarHBondContact O-CA 3.37Å; V248-V279 PolarHBondContact O-N 2.86Å
249	I	98.3	Very high	92.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129	-179.9	-55.6	166.4	0	0	0	107.8	A170 A173 I174 V184 I185 F186 T187 V279	A170-I249 HydrophobicContact CB-CD1 4Å; A170-I249 HydrophobicContact CB-CG2 3.71Å; A173-I249 HydrophobicContact CB-CD1 4.3Å; I174-I249 HydrophobicContact CD1-CD1 4.04Å; I174-I249 HydrophobicContact CG1-CD1 3.62Å; V184-I249 HydrophobicContact CG2-CD1 3.8Å; V184-I249 HydrophobicContact CG2-CG1 4.3Å; I185-I249 PolarHBondContact O-N 3.07Å; F186-I249 HydrophobicContact CD2-CB 4Å; F186-I249 HydrophobicContact CD2-CD1 4.15Å; F186-I249 HydrophobicContact CD2-CG2 3.68Å; F186-I249 HydrophobicContact CE2-CG2 3.83Å; T187-I249 PolarHBondContact N-O 2.87Å; T187-I249 PolarHBondContact OG1-O 2.83Å; I249-V279 CarbonylContact C-O 3.53Å; I249-V279 WeakPolarHBondContact CA-O 3.37Å; I249-V279 HydrophobicContact CG1-CB 4.21Å; I249-V279 HydrophobicContact CG2-CB 4.4Å
250	F	97.4	Very high	92.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	96.1	-179	-75.2	-76.8	0	0	0	109.5	T187 T228 V248 I253 W265 T268 I269 L272 Y278 V279 F280 L281	T187-F250 WeakPolarHBondContact OG1-CA 3.29Å; T187-F250 WeakPolarHBondContact OG1-CD1 3.29Å; T228-F250 HydrophobicContact CG2-CE1 4.43Å; V248-F250 HydrophobicContact CB-CE2 4.28Å; V248-F250 HydrophobicContact CG1-CD2 3.98Å; V248-F250 HydrophobicContact CG1-CE1 4.36Å; V248-F250 HydrophobicContact CG1-CE2 3.56Å; V248-F250 HydrophobicContact CG1-CZ 3.79Å; F250-I253 HydrophobicContact CB-CD1 4.31Å; F250-W265 HydrophobicContact CB-CZ3 4.08Å; F250-W265 AromaticContact CD1-CE3 3.73Å; F250-W265 HydrophobicContact CD1-CE3 3.73Å; F250-W265 AromaticContact CD1-CZ3 3.61Å; F250-W265 HydrophobicContact CD1-CZ3 3.61Å; F250-W265 HydrophobicContact CE1-CE3 4.32Å; F250-W265 HydrophobicContact CG-CZ3 4.32Å; F250-T268 HydrophobicContact CE1-CG2 4.24Å; F250-T268 HydrophobicContact CZ-CG2 4.28Å; F250-I269 HydrophobicContact CE1-CG1 4.13Å; F250-I269 HydrophobicContact CE2-CG1 3.94Å; F250-I269 HydrophobicContact CZ-CD1 4.39Å; F250-I269 HydrophobicContact CZ-CG1 3.58Å; F250-L272 HydrophobicContact CE2-CD1 3.89Å; F250-L272 HydrophobicContact CZ-CD1 3.59Å; F250-Y278 HydrophobicContact CE2-CD1 4.2Å; F250-V279 PolarHBondContact N-O 2.85Å; F250-F280 HydrophobicContact CB-CD1 3.68Å; F250-F280 HydrophobicContact CB-CE1 4.25Å; F250-F280 AromaticContact CD2-CD1 3.63Å; F250-F280 HydrophobicContact CD2-CD1 3.63Å; F250-F280 AromaticContact CD2-CE1 3.31Å; F250-F280 HydrophobicContact CD2-CE1 3.31Å; F250-F280 HydrophobicContact CD2-CZ 4.16Å; F250-F280 AromaticContact CE2-CE1 3.78Å; F250-F280 HydrophobicContact CE2-CE1 3.78Å; F250-F280 HydrophobicContact CE2-CZ 4.39Å; F250-F280 AromaticContact CG-CD1 3.93Å; F250-F280 HydrophobicContact CG-CD1 3.93Å; F250-F280 AromaticContact CG-CE1 3.97Å; F250-F280 HydrophobicContact CG-CE1 3.97Å; F250-L281 PolarHBondContact O-N 3.03Å
251	D	94.6	Very high	92.1	Very high	14 Å²	14	38 Å²	38	8%	0.075	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	140.7	179.4	-161.5	16.4	0	0	0	112	F186 T187 I253 W265	F186-D251 HydrophobicContact CE1-CB 3.88Å; F186-D251 HydrophobicContact CE2-CB 4.42Å; F186-D251 HydrophobicContact CZ-CB 3.59Å; T187-D251 WeakPolarHBondContact O-CB 3.49Å; T187-D251 PolarHBondContact O-N 2.88Å; T187-D251 VanDerWaalsContact O-N 3.09Å; D251-I253 VanDerWaalsContact C-N 3.3Å; D251-I253 PolarHBondContact O-N 2.82Å; D251-W265 VanDerWaalsContact O-CH2 3.3Å; D251-W265 WeakPolarHBondContact O-CH2 3.4Å
252	E	91.6	Very high	92.2	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.065	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	44.4	-174.3	-58.2	-76.5	81.5	0	0	114.4	K166 P189 H254 Y255 L281	K166-E252 IonicContact NZ-OE1 3.2Å; K166-E252 PolarHBondContact NZ-OE1 2.79Å; P189-E252 HydrophobicContact CG-CB 4.31Å; E252-H254 PolarHBondContact O-N 2.62Å; E252-H254 IonicContact OE1-CE1 2.68Å; E252-H254 IonicContact OE2-CE1 3.62Å; E252-H254 PolarHBondContact OE2-CE1 3.12Å; E252-Y255 HydrophobicContact CB-CD2 4.04Å; E252-Y255 HydrophobicContact CB-CE2 4.13Å; E252-Y255 VanDerWaalsContact O-CD2 3.25Å; E252-Y255 WeakPolarHBondContact O-CD2 3.37Å; E252-Y255 PolarHBondContact O-N 2.87Å; E252-L281 CarbonylContact C-O 3.57Å; E252-L281 WeakPolarHBondContact CA-O 3.12Å; E252-L281 PolarHBondContact N-O 2.99Å
253	I	94.6	Very high	92.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-47.7	-24.1	-177.1	-174.6	56.1	0	0	0	115.4	L157 F250 D251 Y255 M256 W265 I269 F280 L281 F291	L157-I253 HydrophobicContact CD1-CG2 4.17Å; F250-I253 HydrophobicContact CB-CD1 4.31Å; D251-I253 VanDerWaalsContact C-N 3.3Å; D251-I253 PolarHBondContact O-N 2.82Å; I253-Y255 PolarHBondContact O-N 2.8Å; I253-M256 VanDerWaalsContact O-CB 3.31Å; I253-M256 WeakPolarHBondContact O-CB 2.96Å; I253-M256 PolarHBondContact O-N 2.83Å; I253-W265 HydrophobicContact CD1-CD2 4.4Å; I253-W265 HydrophobicContact CD1-CE3 3.49Å; I253-W265 VanDerWaalsContact CD1-CE3 3.49Å; I253-W265 HydrophobicContact CD1-CZ3 3.99Å; I253-I269 HydrophobicContact CD1-CD1 4.1Å; I253-F280 HydrophobicContact CB-CB 4.43Å; I253-F280 HydrophobicContact CB-CD1 4.46Å; I253-F280 HydrophobicContact CD1-CD1 4.05Å; I253-F280 HydrophobicContact CD1-CE1 4.46Å; I253-F280 HydrophobicContact CG1-CD1 3.89Å; I253-F280 HydrophobicContact CG2-CB 4.17Å; I253-L281 PolarHBondContact N-O 3.09Å; I253-F291 HydrophobicContact CD1-CE2 4.42Å; I253-F291 HydrophobicContact CD1-CZ 4.14Å; I253-F291 HydrophobicContact CG1-CE1 4.49Å; I253-F291 HydrophobicContact CG1-CE2 4.08Å; I253-F291 HydrophobicContact CG1-CZ 3.76Å
254	H	91.8	Very high	92.7	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.023	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-62.1	-7.5	176	64.8	-80.5	0	0	0	114.4	E252 M256 R257 A283 I285 L558	E252-H254 PolarHBondContact O-N 2.62Å; E252-H254 IonicContact OE1-CE1 2.68Å; E252-H254 IonicContact OE2-CE1 3.62Å; E252-H254 PolarHBondContact OE2-CE1 3.12Å; H254-M256 PolarHBondContact O-N 2.86Å; H254-R257 WeakPolarHBondContact O-CD 3.09Å; H254-R257 VanDerWaalsContact O-CG 3.3Å; H254-R257 WeakPolarHBondContact O-CG 3.45Å; H254-R257 PolarHBondContact O-NE 2.96Å; H254-A283 PolarHBondContact ND1-N 3.46Å; H254-I285 HydrophobicContact CB-CG2 4.15Å; H254-L558 HydrophobicContact CB-CD1 4.5Å
255	Y	89.7	Confident	93	Very high	22 Å²	22	22.7 Å²	22.7	9%	0.086	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-68.8	-12	167.7	-82.2	-122.2	0	0	0	113.4	P189 E252 I253 R257 D258 M486 Q518	P189-Y255 HydrophobicContact CB-CD1 3.64Å; P189-Y255 HydrophobicContact CB-CE1 4.06Å; P189-Y255 HydrophobicContact CB-CG 4Å; P189-Y255 HydrophobicContact CG-CD1 4.23Å; P189-Y255 HydrophobicContact CG-CE1 4.32Å; P189-Y255 HydrophobicContact CG-CG 4.38Å; E252-Y255 HydrophobicContact CB-CD2 4.04Å; E252-Y255 HydrophobicContact CB-CE2 4.13Å; E252-Y255 VanDerWaalsContact O-CD2 3.25Å; E252-Y255 WeakPolarHBondContact O-CD2 3.37Å; E252-Y255 PolarHBondContact O-N 2.87Å; I253-Y255 PolarHBondContact O-N 2.8Å; Y255-R257 PolarHBondContact O-N 3.17Å; Y255-R257 VanDerWaalsContact O-N 3.08Å; Y255-D258 WeakPolarHBondContact O-CB 3.43Å; Y255-D258 PolarHBondContact O-N 2.87Å; Y255-M486 HydrophobicContact CE1-CE 3.99Å; Y255-M486 WeakPolarHBondContact OH-CA 3.18Å; Y255-M486 VanDerWaalsContact OH-CB 3.27Å; Y255-M486 WeakPolarHBondContact OH-CB 3.37Å; Y255-M486 PolarHBondContact OH-O 3.34Å; Y255-Q518 PolarHBondContact OH-NE2 2.84Å
256	M	93.9	Very high	93	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-60.4	-14.7	172.9	-174.4	-179.5	86.2	0	0	113.8	I253 H254 G262 W265 E266 F291 W294 L558 F588	I253-M256 VanDerWaalsContact O-CB 3.31Å; I253-M256 WeakPolarHBondContact O-CB 2.96Å; I253-M256 PolarHBondContact O-N 2.83Å; H254-M256 PolarHBondContact O-N 2.86Å; M256-G262 WeakPolarHBondContact O-CA 3.25Å; M256-W265 HydrophobicContact CB-CB 3.93Å; M256-W265 HydrophobicContact CB-CG 4.3Å; M256-W265 HydrophobicContact CG-CB 3.84Å; M256-W265 HydrophobicContact SD-CB 4.43Å; M256-E266 HydrophobicContact CE-CG 4.29Å; M256-E266 HydrophobicContact CG-CG 3.72Å; M256-E266 HydrophobicContact SD-CG 3.46Å; M256-E266 WeakPolarHBondContact SD-CG 3.46Å; M256-F291 HydrophobicContact CE-CD2 3.84Å; M256-F291 HydrophobicContact CE-CE2 3.7Å; M256-F291 HydrophobicContact SD-CE2 3.89Å; M256-W294 HydrophobicContact SD-CZ3 4.3Å; M256-L558 HydrophobicContact CB-CD1 4.07Å; M256-L558 HydrophobicContact CE-CD1 4.15Å; M256-L558 HydrophobicContact CE-CD2 4.16Å; M256-L558 HydrophobicContact CE-CG 4.02Å; M256-F588 HydrophobicContact CE-CB 4.36Å; M256-F588 HydrophobicContact CE-CD1 3.34Å; M256-F588 HydrophobicContact CE-CE1 3.79Å; M256-F588 HydrophobicContact CE-CG 4.05Å
257	R	90.8	Very high	92.9	Very high	74 Å²	74	22 Å²	22	28%	0.279	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-84.7	-1.4	171.7	78.2	-162.3	173	-174.2	-2.4	115.1	H254 Y255 D556 P557 L558 N559	H254-R257 WeakPolarHBondContact O-CD 3.09Å; H254-R257 VanDerWaalsContact O-CG 3.3Å; H254-R257 WeakPolarHBondContact O-CG 3.45Å; H254-R257 PolarHBondContact O-NE 2.96Å; Y255-R257 PolarHBondContact O-N 3.17Å; Y255-R257 VanDerWaalsContact O-N 3.08Å; R257-D556 PolarHBondContact NH1-O 3.32Å; R257-P557 PolarHBondContact NH1-O 2.97Å; R257-L558 HydrophobicContact CB-CD1 4.15Å; R257-N559 VanDerWaalsContact CA-O 3.31Å; R257-N559 WeakPolarHBondContact CA-O 3.38Å; R257-N559 VanDerWaalsContact CB-O 3.26Å; R257-N559 WeakPolarHBondContact CB-O 3.28Å
258	D	89.3	Confident	92.8	Very high	56 Å²	56	22 Å²	22	30%	0.299	11%	0.109	S	C	.	.			trans	-68.8	131.3	177.6	-178.3	-83.1	0	0	0	111	Y255 E260 R261 G262 A561	Y255-D258 WeakPolarHBondContact O-CB 3.43Å; Y255-D258 PolarHBondContact O-N 2.87Å; D258-E260 VanDerWaalsContact C-N 3.34Å; D258-E260 PolarHBondContact O-N 3.09Å; D258-E260 PolarHBondContact OD1-N 2.86Å; D258-R261 PolarHBondContact OD1-N 2.85Å; D258-G262 WeakPolarHBondContact O-CA 3.37Å; D258-G262 PolarHBondContact O-N 3.48Å; D258-A561 WeakPolarHBondContact O-CB 3.4Å
259	S	84.9	Confident	92.8	Very high	95 Å²	95	22 Å²	22	66%	0.664	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.6	-173.1	51.8	0	0	0	0	115	H563	S259-H563 PolarHBondContact O-NE2 3.23Å
260	E	83.1	Confident	92.7	Very high	98 Å²	98	22.3 Å²	22.3	46%	0.458	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-44	178.8	-172.2	-179.8	-161.7	0	0	110.7	D258 Q914	D258-E260 VanDerWaalsContact C-N 3.34Å; D258-E260 PolarHBondContact O-N 3.09Å; D258-E260 PolarHBondContact OD1-N 2.86Å; E260-Q914 PolarHBondContact OE1-NE2 2.89Å
261	R	87.3	Confident	92.5	Very high	69 Å²	69	23.3 Å²	23.3	26%	0.26	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-11.4	-167.7	-64.2	177.6	66.3	-143.9	2.5	114.8	P189 E229 D258 V263 V264	P189-R261 PolarHBondContact O-NH1 2.81Å; P189-R261 PolarHBondContact O-NH2 3.45Å; E229-R261 VanDerWaalsContact CD-NH2 3.34Å; E229-R261 IonicContact OE1-CZ 3.08Å; E229-R261 IonicContact OE1-NE 2.74Å; E229-R261 PolarHBondContact OE1-NE 2.92Å; E229-R261 IonicContact OE1-NH2 3Å; E229-R261 PolarHBondContact OE1-NH2 3.47Å; E229-R261 IonicContact OE2-NH2 3.02Å; E229-R261 PolarHBondContact OE2-NH2 2.78Å; D258-R261 PolarHBondContact OD1-N 2.85Å; R261-V263 VanDerWaalsContact C-N 3.28Å; R261-V263 PolarHBondContact O-N 3.38Å; R261-V264 VanDerWaalsContact O-CB 3.32Å; R261-V264 WeakPolarHBondContact O-CB 3.48Å; R261-V264 WeakPolarHBondContact O-CG2 3.32Å; R261-V264 PolarHBondContact O-N 3.21Å
262	G	92.6	Very high	92.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.4	-38	-178	0	0	0	0	0	113.4	M256 D258 V264 W265	M256-G262 WeakPolarHBondContact O-CA 3.25Å; D258-G262 WeakPolarHBondContact O-CA 3.37Å; D258-G262 PolarHBondContact O-N 3.48Å; G262-V264 PolarHBondContact O-N 3.3Å; G262-W265 WeakPolarHBondContact O-CB 3.32Å; G262-W265 PolarHBondContact O-N 2.84Å
263	V	94.4	Very high	92.6	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.024	13%	0.126	C	C	.	.	H	α-helix	trans	-51.5	-38	173	62.9	0	0	0	0	113.2	R261 W265 E266 E267 F562 H563 M568	R261-V263 VanDerWaalsContact C-N 3.28Å; R261-V263 PolarHBondContact O-N 3.38Å; V263-W265 PolarHBondContact O-N 2.94Å; V263-E266 PolarHBondContact O-N 2.96Å; V263-E267 WeakPolarHBondContact O-CB 3.42Å; V263-E267 PolarHBondContact O-N 2.87Å; V263-F562 HydrophobicContact CG2-CD2 4.11Å; V263-F562 HydrophobicContact CG2-CE2 4.28Å; V263-F562 HydrophobicContact CG2-CG 4.41Å; V263-H563 WeakPolarHBondContact CG2-O 3.38Å; V263-M568 HydrophobicContact CG2-CE 3.39Å
264	V	94.2	Very high	92.6	Very high	9 Å²	9	27.9 Å²	27.9	6%	0.055	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-33	-178.7	-176	0	0	0	0	111.2	T228 E229 R232 R261 G262 T268	T228-V264 HydrophobicContact CG2-CG1 4.34Å; E229-V264 HydrophobicContact CG-CG1 4.13Å; R232-V264 HydrophobicContact CB-CG1 4.38Å; R261-V264 VanDerWaalsContact O-CB 3.32Å; R261-V264 WeakPolarHBondContact O-CB 3.48Å; R261-V264 WeakPolarHBondContact O-CG2 3.32Å; R261-V264 PolarHBondContact O-N 3.21Å; G262-V264 PolarHBondContact O-N 3.3Å; V264-T268 VanDerWaalsContact O-CB 3.24Å; V264-T268 WeakPolarHBondContact O-CB 3.43Å; V264-T268 PolarHBondContact O-N 3.33Å; V264-T268 PolarHBondContact O-OG1 3.11Å
265	W	95.6	Very high	92.7	Very high	2 Å²	2	33 Å²	33	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-72.5	-48.3	179.8	-67.6	77	0	0	0	111.5	P189 T228 F250 D251 I253 M256 G262 V263 T268 I269	P189-W265 HydrophobicContact CB-CH2 4.49Å; P189-W265 HydrophobicContact CB-CZ2 3.82Å; T228-W265 HydrophobicContact CG2-CD2 3.94Å; T228-W265 HydrophobicContact CG2-CE3 4.17Å; T228-W265 HydrophobicContact CG2-CG 4.18Å; T228-W265 WeakPolarHBondContact OG1-CH2 3.38Å; T228-W265 WeakPolarHBondContact OG1-CZ2 3.24Å; F250-W265 HydrophobicContact CB-CZ3 4.08Å; F250-W265 AromaticContact CD1-CE3 3.73Å; F250-W265 HydrophobicContact CD1-CE3 3.73Å; F250-W265 AromaticContact CD1-CZ3 3.61Å; F250-W265 HydrophobicContact CD1-CZ3 3.61Å; F250-W265 HydrophobicContact CE1-CE3 4.32Å; F250-W265 HydrophobicContact CG-CZ3 4.32Å; D251-W265 VanDerWaalsContact O-CH2 3.3Å; D251-W265 WeakPolarHBondContact O-CH2 3.4Å; I253-W265 HydrophobicContact CD1-CD2 4.4Å; I253-W265 HydrophobicContact CD1-CE3 3.49Å; I253-W265 VanDerWaalsContact CD1-CE3 3.49Å; I253-W265 HydrophobicContact CD1-CZ3 3.99Å; M256-W265 HydrophobicContact CB-CB 3.93Å; M256-W265 HydrophobicContact CB-CG 4.3Å; M256-W265 HydrophobicContact CG-CB 3.84Å; M256-W265 HydrophobicContact SD-CB 4.43Å; G262-W265 WeakPolarHBondContact O-CB 3.32Å; G262-W265 PolarHBondContact O-N 2.84Å; V263-W265 PolarHBondContact O-N 2.94Å; W265-T268 PolarHBondContact O-N 3.28Å; W265-I269 WeakPolarHBondContact O-CD1 3.48Å; W265-I269 VanDerWaalsContact O-CG1 3.26Å; W265-I269 WeakPolarHBondContact O-CG1 3.35Å; W265-I269 PolarHBondContact O-N 3.42Å
266	E	96	Very high	93	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.1	-47.2	175.8	-70	-178.1	-131.4	0	0	111.4	M256 V263 T268 I269 I270 W294 S560 F562 F588 Y589	M256-E266 HydrophobicContact CE-CG 4.29Å; M256-E266 HydrophobicContact CG-CG 3.72Å; M256-E266 HydrophobicContact SD-CG 3.46Å; M256-E266 WeakPolarHBondContact SD-CG 3.46Å; V263-E266 PolarHBondContact O-N 2.96Å; E266-T268 VanDerWaalsContact C-N 3.29Å; E266-T268 PolarHBondContact O-N 3.31Å; E266-I269 PolarHBondContact O-N 3.08Å; E266-I269 VanDerWaalsContact O-N 3.17Å; E266-I270 HydrophobicContact CB-CD1 4.37Å; E266-I270 WeakPolarHBondContact O-CB 3.49Å; E266-I270 WeakPolarHBondContact O-CD1 3.46Å; E266-I270 VanDerWaalsContact O-CG1 3.23Å; E266-I270 WeakPolarHBondContact O-CG1 3.43Å; E266-I270 PolarHBondContact O-N 2.99Å; E266-W294 HydrophobicContact CB-CH2 4.43Å; E266-W294 HydrophobicContact CG-CH2 4.17Å; E266-S560 VanDerWaalsContact OE1-CA 3.28Å; E266-S560 WeakPolarHBondContact OE1-CA 3.46Å; E266-S560 WeakPolarHBondContact OE1-CB 3.43Å; E266-S560 PolarHBondContact OE1-OG 3.06Å; E266-F562 HydrophobicContact CB-CD2 4.04Å; E266-F588 HydrophobicContact CG-CB 4.15Å; E266-F588 WeakPolarHBondContact OE2-CA 3.3Å; E266-F588 VanDerWaalsContact OE2-CB 3.27Å; E266-F588 WeakPolarHBondContact OE2-CB 3.5Å; E266-F588 PolarHBondContact OE2-N 3.42Å; E266-Y589 PolarHBondContact OE2-N 3.47Å
267	E	95.1	Very high	93.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-41.3	176.4	-175.7	178.2	-156.4	0	0	111.8	R232 Y236 V263 L271 M568 M583	R232-E267 WeakPolarHBondContact CD-OE2 3.46Å; R232-E267 HydrophobicContact CG-CG 4.39Å; R232-E267 IonicContact CZ-OE2 2.61Å; R232-E267 IonicContact NE-OE2 2.64Å; R232-E267 IonicContact NH1-OE1 3.92Å; R232-E267 IonicContact NH1-OE2 2.66Å; R232-E267 PolarHBondContact NH1-OE2 3.13Å; Y236-E267 HydrophobicContact CE2-CG 4.35Å; Y236-E267 VanDerWaalsContact CE2-OE1 3.28Å; Y236-E267 WeakPolarHBondContact CE2-OE1 3.41Å; Y236-E267 PolarHBondContact OH-OE1 3.26Å; V263-E267 WeakPolarHBondContact O-CB 3.42Å; V263-E267 PolarHBondContact O-N 2.87Å; E267-L271 HydrophobicContact CG-CD1 4.36Å; E267-L271 WeakPolarHBondContact O-CB 3.37Å; E267-L271 WeakPolarHBondContact O-CD1 3.44Å; E267-L271 WeakPolarHBondContact O-CG 3.42Å; E267-L271 PolarHBondContact O-N 3.01Å; E267-M568 HydrophobicContact CG-CE 4.35Å; E267-M568 WeakPolarHBondContact OE1-CB 3.38Å; E267-M568 WeakPolarHBondContact OE1-CG 3.47Å; E267-M583 HydrophobicContact CG-CE 4.19Å
268	T	96.1	Very high	93.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-44.7	175.3	-60.4	0	0	0	0	112	T228 L231 L235 F250 V264 W265 E266 L271 L272	T228-T268 HydrophobicContact CG2-CG2 4.21Å; L231-T268 HydrophobicContact CB-CG2 4.16Å; L231-T268 HydrophobicContact CD2-CG2 3.64Å; L231-T268 HydrophobicContact CG-CG2 3.73Å; L235-T268 HydrophobicContact CD1-CG2 3.96Å; F250-T268 HydrophobicContact CE1-CG2 4.24Å; F250-T268 HydrophobicContact CZ-CG2 4.28Å; V264-T268 VanDerWaalsContact O-CB 3.24Å; V264-T268 WeakPolarHBondContact O-CB 3.43Å; V264-T268 PolarHBondContact O-N 3.33Å; V264-T268 PolarHBondContact O-OG1 3.11Å; W265-T268 PolarHBondContact O-N 3.28Å; E266-T268 VanDerWaalsContact C-N 3.29Å; E266-T268 PolarHBondContact O-N 3.31Å; T268-L271 PolarHBondContact O-N 3.1Å; T268-L272 HydrophobicContact CG2-CD1 4.46Å; T268-L272 WeakPolarHBondContact O-CG 3.41Å; T268-L272 PolarHBondContact O-N 3.1Å
269	I	97.1	Very high	93.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.1	-44.6	-179	-69	164.2	0	0	0	110.5	F250 I253 W265 E266 L271 L272 F280 F291 W294 I295 L298 H299	F250-I269 HydrophobicContact CE1-CG1 4.13Å; F250-I269 HydrophobicContact CE2-CG1 3.94Å; F250-I269 HydrophobicContact CZ-CD1 4.39Å; F250-I269 HydrophobicContact CZ-CG1 3.58Å; I253-I269 HydrophobicContact CD1-CD1 4.1Å; W265-I269 WeakPolarHBondContact O-CD1 3.48Å; W265-I269 VanDerWaalsContact O-CG1 3.26Å; W265-I269 WeakPolarHBondContact O-CG1 3.35Å; W265-I269 PolarHBondContact O-N 3.42Å; E266-I269 PolarHBondContact O-N 3.08Å; E266-I269 VanDerWaalsContact O-N 3.17Å; I269-L271 PolarHBondContact O-N 3.36Å; I269-L272 PolarHBondContact O-N 2.68Å; I269-F280 HydrophobicContact CD1-CE1 3.92Å; I269-F280 HydrophobicContact CG1-CE1 4.4Å; I269-F291 HydrophobicContact CD1-CZ 4.35Å; I269-W294 HydrophobicContact CB-CH2 3.97Å; I269-W294 HydrophobicContact CD1-CH2 4.13Å; I269-W294 HydrophobicContact CD1-CZ3 4.06Å; I269-W294 HydrophobicContact CG2-CH2 3.65Å; I269-W294 HydrophobicContact CG2-CZ2 4.35Å; I269-W294 HydrophobicContact CG2-CZ3 4.01Å; I269-I295 HydrophobicContact CG2-CD1 3.65Å; I269-L298 HydrophobicContact CG2-CD2 3.77Å; I269-H299 PolarHBondContact O-CE1 3.14Å; I269-H299 PolarHBondContact O-NE2 3.13Å
270	I	95.8	Very high	94.6	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-25.2	-179.9	-63.2	158.4	0	0	0	112.6	E266 W294 L298 Y582 M583 K586	E266-I270 HydrophobicContact CB-CD1 4.37Å; E266-I270 WeakPolarHBondContact O-CB 3.49Å; E266-I270 WeakPolarHBondContact O-CD1 3.46Å; E266-I270 VanDerWaalsContact O-CG1 3.23Å; E266-I270 WeakPolarHBondContact O-CG1 3.43Å; E266-I270 PolarHBondContact O-N 2.99Å; I270-W294 HydrophobicContact CD1-CZ2 4.12Å; I270-W294 HydrophobicContact CG1-CZ2 3.92Å; I270-L298 HydrophobicContact CG1-CD1 4.3Å; I270-L298 HydrophobicContact CG1-CD2 3.91Å; I270-L298 HydrophobicContact CG2-CD1 4.45Å; I270-Y582 HydrophobicContact CG2-CD1 4.45Å; I270-Y582 HydrophobicContact CG2-CE1 4Å; I270-M583 HydrophobicContact CB-CE 4.19Å; I270-M583 HydrophobicContact CB-SD 3.77Å; I270-M583 HydrophobicContact CD1-SD 3.57Å; I270-M583 VanDerWaalsContact CD1-SD 3.57Å; I270-M583 HydrophobicContact CG1-SD 4.29Å; I270-M583 HydrophobicContact CG2-CE 3.96Å; I270-M583 HydrophobicContact CG2-SD 3.62Å; I270-K586 HydrophobicContact CG1-CB 4.39Å; I270-K586 HydrophobicContact CG2-CB 3.89Å
271	L	94.4	Very high	95.2	Very high	22 Å²	22	18.8 Å²	18.8	12%	0.115	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-9.5	173.8	-69.9	171.5	0	0	0	114	L235 Y236 E267 T268 I269 L572 I578 M583	L235-L271 HydrophobicContact CB-CB 4.17Å; L235-L271 HydrophobicContact CB-CD1 4.33Å; L235-L271 HydrophobicContact CD1-CB 3.91Å; L235-L271 HydrophobicContact CG-CB 4.47Å; Y236-L271 HydrophobicContact CD1-CD1 3.91Å; Y236-L271 HydrophobicContact CD2-CD1 4.44Å; Y236-L271 HydrophobicContact CE1-CD1 3.6Å; Y236-L271 HydrophobicContact CE1-CD2 4.22Å; Y236-L271 HydrophobicContact CE2-CD1 4.16Å; Y236-L271 HydrophobicContact CG-CD1 4.32Å; E267-L271 HydrophobicContact CG-CD1 4.36Å; E267-L271 WeakPolarHBondContact O-CB 3.37Å; E267-L271 WeakPolarHBondContact O-CD1 3.44Å; E267-L271 WeakPolarHBondContact O-CG 3.42Å; E267-L271 PolarHBondContact O-N 3.01Å; T268-L271 PolarHBondContact O-N 3.1Å; I269-L271 PolarHBondContact O-N 3.36Å; L271-L572 HydrophobicContact CD2-CD2 4.3Å; L271-I578 HydrophobicContact CD2-CD1 3.74Å; L271-M583 HydrophobicContact CD1-CE 4.48Å; L271-M583 HydrophobicContact CD2-CE 4.15Å; L271-M583 HydrophobicContact CG-CE 3.97Å
272	L	95.4	Very high	95.5	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.021	8%	0.084	C	C	.	.	S	Bend	trans	-76.6	136.1	179.4	-80.9	166.4	0	0	0	111.3	L231 L235 M242 V248 F250 T268 I269 Y278 H299	L231-L272 HydrophobicContact CD2-CD1 4.48Å; L235-L272 HydrophobicContact CD1-CD2 4.18Å; L235-L272 HydrophobicContact CD1-CG 4.15Å; L235-L272 HydrophobicContact CD2-CD2 4.14Å; M242-L272 HydrophobicContact CE-CD2 3.44Å; M242-L272 VanDerWaalsContact CE-CD2 3.44Å; V248-L272 HydrophobicContact CB-CD1 4.38Å; V248-L272 HydrophobicContact CG1-CD1 4.2Å; V248-L272 HydrophobicContact CG2-CD1 4.29Å; V248-L272 HydrophobicContact CG2-CD2 4.08Å; F250-L272 HydrophobicContact CE2-CD1 3.89Å; F250-L272 HydrophobicContact CZ-CD1 3.59Å; T268-L272 HydrophobicContact CG2-CD1 4.46Å; T268-L272 WeakPolarHBondContact O-CG 3.41Å; T268-L272 PolarHBondContact O-N 3.1Å; I269-L272 PolarHBondContact O-N 2.68Å; L272-Y278 HydrophobicContact CB-CE1 4.15Å; L272-Y278 HydrophobicContact CD1-CE1 3.89Å; L272-H299 PolarHBondContact O-CE1 2.72Å
273	P	93.4	Very high	95.3	Very high	50 Å²	50	16.4 Å²	16.4	33%	0.325	9%	0.091	S	C	.	.			trans	-63.4	142.9	178.6	-25	35.2	0	0	0	113.6	N275 V276 Y278	P273-N275 VanDerWaalsContact CB-OD1 3.24Å; P273-N275 WeakPolarHBondContact CB-OD1 3.39Å; P273-N275 PolarHBondContact O-N 2.92Å; P273-V276 HydrophobicContact CB-CG2 4.32Å; P273-V276 WeakPolarHBondContact O-CB 3.12Å; P273-V276 PolarHBondContact O-N 2.79Å; P273-Y278 PolarHBondContact O-OH 3.38Å
274	D	93.7	Very high	95.1	Very high	69 Å²	69	16.5 Å²	16.5	37%	0.369	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.4	-179.6	-69.2	-9.9	0	0	0	114.7	V276 H299 K300 Q301	D274-V276 VanDerWaalsContact C-N 3.3Å; D274-H299 WeakPolarHBondContact OD1-CA 3.36Å; D274-H299 IonicContact OD1-CG 2.75Å; D274-H299 IonicContact OD1-ND1 3.17Å; D274-H299 PolarHBondContact OD1-ND1 3.29Å; D274-K300 IonicContact OD1-NZ 3.6Å; D274-K300 IonicContact OD2-NZ 2.68Å; D274-K300 PolarHBondContact OD2-NZ 2.95Å; D274-Q301 PolarHBondContact O-NE2 2.77Å; D274-Q301 VanDerWaalsContact O-NE2 3.13Å
275	N	93.4	Very high	95.1	Very high	113 Å²	113	16.1 Å²	16.1	60%	0.604	9%	0.09	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	0.4	177.6	75.7	-85.4	0	0	0	114.2	P273	P273-N275 VanDerWaalsContact CB-OD1 3.24Å; P273-N275 WeakPolarHBondContact CB-OD1 3.39Å; P273-N275 PolarHBondContact O-N 2.92Å
276	V	96.1	Very high	94.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.			trans	-92.9	141.1	176.8	179.8	0	0	0	0	109.2	V245 V248 P273 D274 Y278 Q301	V245-V276 HydrophobicContact CG1-CG1 4.47Å; V248-V276 HydrophobicContact CB-CG1 4.25Å; V248-V276 HydrophobicContact CG2-CG1 3.72Å; P273-V276 HydrophobicContact CB-CG2 4.32Å; P273-V276 WeakPolarHBondContact O-CB 3.12Å; P273-V276 PolarHBondContact O-N 2.79Å; D274-V276 VanDerWaalsContact C-N 3.3Å; V276-Y278 HydrophobicContact CB-CE1 3.98Å; V276-Y278 HydrophobicContact CG1-CD1 4.18Å; V276-Y278 HydrophobicContact CG1-CE1 3.64Å; V276-Y278 WeakPolarHBondContact O-CE2 3.5Å; V276-Q301 PolarHBondContact O-NE2 2.57Å
277	H	97.7	Very high	94.9	Very high	46 Å²	46	20.6 Å²	20.6	21%	0.213	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	154.3	172.7	-58.9	-54.2	0	0	0	111.5	N153 A246 W247 V248 Q301	N153-H277 PolarHBondContact O-CE1 2.98Å; A246-H277 PolarHBondContact O-N 2.96Å; W247-H277 WeakPolarHBondContact CA-O 3.14Å; W247-H277 HydrophobicContact CD2-CB 3.82Å; W247-H277 HydrophobicContact CE3-CB 3.53Å; W247-H277 HydrophobicContact CH2-CB 3.7Å; W247-H277 HydrophobicContact CZ2-CB 3.97Å; W247-H277 HydrophobicContact CZ3-CB 3.47Å; W247-H277 VanDerWaalsContact CZ3-CB 3.47Å; V248-H277 PolarHBondContact N-O 2.83Å; H277-Q301 PolarHBondContact ND1-OE1 2.67Å
278	Y	98.1	Very high	94.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.7	-167.3	-48	-63.8	0	0	0	112.9	S155 V156 V248 F250 L272 P273 V276 F280 I295 H299	S155-Y278 CarbonylContact C-O 3.57Å; S155-Y278 VanDerWaalsContact CA-O 3.31Å; S155-Y278 WeakPolarHBondContact CA-O 3.24Å; S155-Y278 WeakPolarHBondContact OG-CD2 3.21Å; S155-Y278 PolarHBondContact OG-N 2.82Å; V156-Y278 PolarHBondContact N-O 3.05Å; V248-Y278 HydrophobicContact CB-CD1 4.25Å; V248-Y278 WeakPolarHBondContact O-CA 3.37Å; F250-Y278 HydrophobicContact CE2-CD1 4.2Å; L272-Y278 HydrophobicContact CB-CE1 4.15Å; L272-Y278 HydrophobicContact CD1-CE1 3.89Å; P273-Y278 PolarHBondContact O-OH 3.38Å; V276-Y278 HydrophobicContact CB-CE1 3.98Å; V276-Y278 HydrophobicContact CG1-CD1 4.18Å; V276-Y278 HydrophobicContact CG1-CE1 3.64Å; V276-Y278 WeakPolarHBondContact O-CE2 3.5Å; Y278-F280 HydrophobicContact CD2-CE2 4.23Å; Y278-F280 HydrophobicContact CD2-CZ 4.19Å; Y278-F280 AromaticContact CG-CE2 3.97Å; Y278-F280 HydrophobicContact CG-CE2 3.97Å; Y278-F280 AromaticContact CG-CZ 3.82Å; Y278-F280 HydrophobicContact CG-CZ 3.82Å; Y278-I295 HydrophobicContact CD2-CG2 4.07Å; Y278-I295 HydrophobicContact CE2-CG2 4.47Å; Y278-H299 HydrophobicContact CE2-CB 4.3Å; Y278-H299 AromaticContact CE2-CD2 3.42Å; Y278-H299 VanDerWaalsContact CE2-CD2 3.42Å; Y278-H299 WeakPolarHBondContact CE2-CD2 3.39Å; Y278-H299 AromaticContact CE2-CG 3.84Å; Y278-H299 AromaticContact CE2-NE2 3.91Å; Y278-H299 AromaticContact CZ-CD2 3.82Å; Y278-H299 AromaticContact CZ-NE2 3.85Å; Y278-H299 PolarHBondContact OH-CE1 2.84Å; Y278-H299 PolarHBondContact OH-ND1 2.65Å; Y278-H299 PolarHBondContact OH-NE2 2.76Å
279	V	98.4	Very high	94.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	105	166.2	-179.6	0	0	0	0	108.5	V150 V156 A173 W247 V248 I249 F250 L281	V150-V279 HydrophobicContact CG2-CG2 4.03Å; V156-V279 HydrophobicContact CG1-CG1 4.4Å; V156-V279 HydrophobicContact CG1-CG2 4.19Å; V156-V279 WeakPolarHBondContact O-CA 3.44Å; A173-V279 HydrophobicContact CB-CG2 3.91Å; W247-V279 HydrophobicContact CE3-CG2 3.85Å; W247-V279 HydrophobicContact CZ3-CG2 3.78Å; V248-V279 PolarHBondContact O-N 2.86Å; I249-V279 CarbonylContact C-O 3.53Å; I249-V279 WeakPolarHBondContact CA-O 3.37Å; I249-V279 HydrophobicContact CG1-CB 4.21Å; I249-V279 HydrophobicContact CG2-CB 4.4Å; F250-V279 PolarHBondContact N-O 2.85Å; V279-L281 HydrophobicContact CG1-CD2 3.76Å; V279-L281 HydrophobicContact CG1-CG 4.48Å
280	F	98.3	Very high	94.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.5	177.4	-55.8	-84.4	0	0	0	109.6	V156 L157 V158 F250 I253 I269 Y278 F291 I295	V156-F280 PolarHBondContact O-N 3.22Å; L157-F280 WeakPolarHBondContact CA-O 3.28Å; L157-F280 HydrophobicContact CB-CB 4.34Å; L157-F280 HydrophobicContact CD1-CB 3.7Å; V158-F280 PolarHBondContact N-O 3.43Å; F250-F280 HydrophobicContact CB-CD1 3.68Å; F250-F280 HydrophobicContact CB-CE1 4.25Å; F250-F280 AromaticContact CD2-CD1 3.63Å; F250-F280 HydrophobicContact CD2-CD1 3.63Å; F250-F280 AromaticContact CD2-CE1 3.31Å; F250-F280 HydrophobicContact CD2-CE1 3.31Å; F250-F280 HydrophobicContact CD2-CZ 4.16Å; F250-F280 AromaticContact CE2-CE1 3.78Å; F250-F280 HydrophobicContact CE2-CE1 3.78Å; F250-F280 HydrophobicContact CE2-CZ 4.39Å; F250-F280 AromaticContact CG-CD1 3.93Å; F250-F280 HydrophobicContact CG-CD1 3.93Å; F250-F280 AromaticContact CG-CE1 3.97Å; F250-F280 HydrophobicContact CG-CE1 3.97Å; I253-F280 HydrophobicContact CB-CB 4.43Å; I253-F280 HydrophobicContact CB-CD1 4.46Å; I253-F280 HydrophobicContact CD1-CD1 4.05Å; I253-F280 HydrophobicContact CD1-CE1 4.46Å; I253-F280 HydrophobicContact CG1-CD1 3.89Å; I253-F280 HydrophobicContact CG2-CB 4.17Å; I269-F280 HydrophobicContact CD1-CE1 3.92Å; I269-F280 HydrophobicContact CG1-CE1 4.4Å; Y278-F280 HydrophobicContact CD2-CE2 4.23Å; Y278-F280 HydrophobicContact CD2-CZ 4.19Å; Y278-F280 AromaticContact CG-CE2 3.97Å; Y278-F280 HydrophobicContact CG-CE2 3.97Å; Y278-F280 AromaticContact CG-CZ 3.82Å; Y278-F280 HydrophobicContact CG-CZ 3.82Å; F280-F291 HydrophobicContact CB-CE1 4.39Å; F280-F291 AromaticContact CD1-CE1 3.8Å; F280-F291 HydrophobicContact CD1-CE1 3.8Å; F280-F291 AromaticContact CD1-CZ 3.77Å; F280-F291 HydrophobicContact CD1-CZ 3.77Å; F280-F291 AromaticContact CD2-CE1 3.83Å; F280-F291 HydrophobicContact CD2-CE1 3.83Å; F280-F291 AromaticContact CE1-CE1 3.95Å; F280-F291 HydrophobicContact CE1-CE1 3.95Å; F280-F291 AromaticContact CE1-CZ 3.74Å; F280-F291 HydrophobicContact CE1-CZ 3.74Å; F280-F291 AromaticContact CE2-CE1 3.95Å; F280-F291 HydrophobicContact CE2-CE1 3.95Å; F280-F291 AromaticContact CG-CE1 3.75Å; F280-F291 HydrophobicContact CG-CE1 3.75Å; F280-F291 HydrophobicContact CG-CZ 4.21Å; F280-F291 HydrophobicContact CZ-CE1 4.03Å; F280-F291 HydrophobicContact CZ-CZ 4.13Å; F280-I295 HydrophobicContact CE1-CD1 4.28Å; F280-I295 HydrophobicContact CE2-CD1 4.06Å; F280-I295 HydrophobicContact CE2-CG1 3.87Å; F280-I295 HydrophobicContact CE2-CG2 4.15Å; F280-I295 HydrophobicContact CZ-CD1 3.53Å; F280-I295 HydrophobicContact CZ-CG1 3.88Å; F280-I295 HydrophobicContact CZ-CG2 4.47Å
281	L	95.8	Very high	94.9	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.2	174.4	-52.5	-173.1	0	0	0	109.1	V158 K166 C169 A170 F250 E252 I253 V279	V158-L281 HydrophobicContact CB-CD2 4.13Å; V158-L281 HydrophobicContact CG2-CD2 4.32Å; K166-L281 HydrophobicContact CB-CB 4.4Å; K166-L281 HydrophobicContact CB-CD1 4.11Å; K166-L281 HydrophobicContact CB-CD2 4.26Å; K166-L281 HydrophobicContact CD-CB 4.27Å; C169-L281 HydrophobicContact CB-CD2 4.37Å; A170-L281 HydrophobicContact CB-CD1 4.01Å; F250-L281 PolarHBondContact O-N 3.03Å; E252-L281 CarbonylContact C-O 3.57Å; E252-L281 WeakPolarHBondContact CA-O 3.12Å; E252-L281 PolarHBondContact N-O 2.99Å; I253-L281 PolarHBondContact N-O 3.09Å; V279-L281 HydrophobicContact CG1-CD2 3.76Å; V279-L281 HydrophobicContact CG1-CG 4.48Å
282	S	93.3	Very high	95.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	159.4	-174.9	-159.9	0	0	0	0	112.5	V158 A160 K166	V158-S282 PolarHBondContact O-N 2.79Å; A160-S282 PolarHBondContact N-O 2.99Å; A160-S282 VanDerWaalsContact N-O 3.17Å; K166-S282 WeakPolarHBondContact CD-O 3.19Å; K166-S282 WeakPolarHBondContact CE-O 3.38Å; K166-S282 VanDerWaalsContact NZ-C 3.32Å; K166-S282 PolarHBondContact NZ-O 2.95Å
283	A	89.4	Confident	95.1	Very high	18 Å²	18	27.8 Å²	27.8	15%	0.149	15%	0.146	C	C	.	.			trans	-61.7	171.3	157.4	0	0	0	0	0	110.1	S159 A160 H254 I285	S159-A283 PolarHBondContact OG-O 3.18Å; A160-A283 CarbonylContact O-C 3.52Å; A160-A283 WeakPolarHBondContact O-CA 3.3Å; H254-A283 PolarHBondContact ND1-N 3.46Å; A283-I285 PolarHBondContact O-N 2.78Å; A283-I285 VanDerWaalsContact O-N 3.16Å
284	T	90	Very high	95.3	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.043	13%	0.131	C	C	.	.			trans	-56.1	115.1	162.6	43.7	0	0	0	0	109.1	S159 H161 Y307 A555	S159-T284 WeakPolarHBondContact OG-CA 3.28Å; H161-T284 PolarHBondContact ND1-OG1 3.15Å; T284-Y307 HydrophobicContact CG2-CE2 4.4Å; T284-A555 WeakPolarHBondContact O-CB 3.3Å
285	I	93.3	Very high	95.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.114	C	C	.	.			trans	-128.3	131.7	178.2	51	166.1	0	0	0	110.9	S159 H254 A283 N287 A288 L558	S159-I285 WeakPolarHBondContact OG-CG1 3.22Å; S159-I285 PolarHBondContact OG-N 3.33Å; H254-I285 HydrophobicContact CB-CG2 4.15Å; A283-I285 PolarHBondContact O-N 2.78Å; A283-I285 VanDerWaalsContact O-N 3.16Å; I285-N287 VanDerWaalsContact C-N 3.27Å; I285-N287 PolarHBondContact O-N 2.99Å; I285-A288 HydrophobicContact CD1-CB 4.45Å; I285-A288 HydrophobicContact CG1-CB 4.12Å; I285-A288 PolarHBondContact O-N 2.96Å; I285-L558 HydrophobicContact CD1-CB 3.78Å; I285-L558 HydrophobicContact CD1-CD2 3.65Å; I285-L558 HydrophobicContact CD1-CG 4.38Å; I285-L558 HydrophobicContact CG2-CB 4.44Å
286	P	92.6	Very high	95.6	Very high	74 Å²	74	16.9 Å²	16.9	48%	0.481	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.4	-169.7	28	-37.1	0	0	0	114.5	A555 P557	P286-A555 WeakPolarHBondContact CD-O 3.27Å; P286-A555 WeakPolarHBondContact CG-O 3.48Å; P286-P557 HydrophobicContact CG-CB 4.23Å; P286-P557 HydrophobicContact CG-CG 3.95Å
287	N	94.9	Very high	95.5	Very high	22 Å²	22	19.7 Å²	19.7	12%	0.118	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	28.2	-179.3	67.7	-40.9	0	0	0	113.2	I285 R289 Q290 F291 L558	I285-N287 VanDerWaalsContact C-N 3.27Å; I285-N287 PolarHBondContact O-N 2.99Å; N287-R289 PolarHBondContact O-N 3.49Å; N287-R289 VanDerWaalsContact O-N 3.16Å; N287-Q290 HydrophobicContact CB-CB 4.2Å; N287-Q290 PolarHBondContact ND2-OE1 2.91Å; N287-Q290 VanDerWaalsContact O-CB 3.32Å; N287-Q290 WeakPolarHBondContact O-CB 3.46Å; N287-Q290 PolarHBondContact O-N 2.89Å; N287-F291 PolarHBondContact O-N 3.42Å; N287-L558 PolarHBondContact ND2-O 2.78Å; N287-L558 PolarHBondContact OD1-N 3.13Å
288	A	95.7	Very high	95.4	Very high	5 Å²	5	17.6 Å²	17.6	4%	0.041	9%	0.089	C	C	.	.	H	α-helix	trans	-47.6	-43.2	178.1	0	0	0	0	0	113.6	L157 I285 Q290 F291 A292 V305	L157-A288 HydrophobicContact CD2-CB 3.81Å; L157-A288 WeakPolarHBondContact CD2-O 3.34Å; I285-A288 HydrophobicContact CD1-CB 4.45Å; I285-A288 HydrophobicContact CG1-CB 4.12Å; I285-A288 PolarHBondContact O-N 2.96Å; A288-Q290 PolarHBondContact O-N 3.04Å; A288-F291 PolarHBondContact O-N 2.9Å; A288-A292 PolarHBondContact O-N 3.36Å; A288-V305 HydrophobicContact CB-CG1 3.63Å
289	R	96.1	Very high	95.2	Very high	119 Å²	119	17.8 Å²	17.8	45%	0.449	9%	0.09	S	C	.	.	H	α-helix	trans	-55.4	-45	174	-178	172.3	56.9	-131.5	2.3	113.2	V100 E112 N287 F291 A292 E293	V100-R289 HydrophobicContact CG1-CG 4.22Å; V100-R289 HydrophobicContact CG2-CG 4.03Å; E112-R289 IonicContact OE1-CZ 2.67Å; E112-R289 IonicContact OE1-NH1 2.82Å; E112-R289 PolarHBondContact OE1-NH1 3.12Å; E112-R289 WeakPolarHBondContact OE2-CB 3.27Å; E112-R289 WeakPolarHBondContact OE2-CD 3.44Å; E112-R289 IonicContact OE2-NH1 2.98Å; E112-R289 PolarHBondContact OE2-NH1 3.21Å; N287-R289 PolarHBondContact O-N 3.49Å; N287-R289 VanDerWaalsContact O-N 3.16Å; R289-F291 VanDerWaalsContact C-N 3.26Å; R289-F291 PolarHBondContact O-N 3.49Å; R289-A292 PolarHBondContact O-N 2.68Å; R289-E293 HydrophobicContact CG-CG 4.29Å; R289-E293 WeakPolarHBondContact CG-OE1 3.5Å; R289-E293 VanDerWaalsContact O-CG 3.31Å; R289-E293 WeakPolarHBondContact O-CG 3.41Å; R289-E293 PolarHBondContact O-N 3.33Å
290	Q	96	Very high	95.1	Very high	41 Å²	41	23.1 Å²	23.1	19%	0.192	11%	0.113	C	C	.	.	H	α-helix	trans	-61.7	-35.4	-178.9	-168.9	-174.1	34.5	0	0	111.9	N287 A288 W294 F588 F591	N287-Q290 HydrophobicContact CB-CB 4.2Å; N287-Q290 PolarHBondContact ND2-OE1 2.91Å; N287-Q290 VanDerWaalsContact O-CB 3.32Å; N287-Q290 WeakPolarHBondContact O-CB 3.46Å; N287-Q290 PolarHBondContact O-N 2.89Å; A288-Q290 PolarHBondContact O-N 3.04Å; Q290-W294 PolarHBondContact O-N 3.14Å; Q290-F588 HydrophobicContact CG-CE2 4.18Å; Q290-F588 HydrophobicContact CG-CZ 4.27Å; Q290-F591 HydrophobicContact CG-CD1 4.47Å; Q290-F591 HydrophobicContact CG-CE1 4.04Å; Q290-F591 WeakPolarHBondContact O-CE1 3.45Å
291	F	97.3	Very high	94.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-69	-46.8	175.4	-178.9	-88.5	0	0	0	111.7	L157 I253 M256 I269 F280 N287 A288 R289 E293 W294 I295 L558 F588	L157-F291 HydrophobicContact CD2-CB 4.43Å; L157-F291 HydrophobicContact CD2-CD1 4Å; I253-F291 HydrophobicContact CD1-CE2 4.42Å; I253-F291 HydrophobicContact CD1-CZ 4.14Å; I253-F291 HydrophobicContact CG1-CE1 4.49Å; I253-F291 HydrophobicContact CG1-CE2 4.08Å; I253-F291 HydrophobicContact CG1-CZ 3.76Å; M256-F291 HydrophobicContact CE-CD2 3.84Å; M256-F291 HydrophobicContact CE-CE2 3.7Å; M256-F291 HydrophobicContact SD-CE2 3.89Å; I269-F291 HydrophobicContact CD1-CZ 4.35Å; F280-F291 HydrophobicContact CB-CE1 4.39Å; F280-F291 AromaticContact CD1-CE1 3.8Å; F280-F291 HydrophobicContact CD1-CE1 3.8Å; F280-F291 AromaticContact CD1-CZ 3.77Å; F280-F291 HydrophobicContact CD1-CZ 3.77Å; F280-F291 AromaticContact CD2-CE1 3.83Å; F280-F291 HydrophobicContact CD2-CE1 3.83Å; F280-F291 AromaticContact CE1-CE1 3.95Å; F280-F291 HydrophobicContact CE1-CE1 3.95Å; F280-F291 AromaticContact CE1-CZ 3.74Å; F280-F291 HydrophobicContact CE1-CZ 3.74Å; F280-F291 AromaticContact CE2-CE1 3.95Å; F280-F291 HydrophobicContact CE2-CE1 3.95Å; F280-F291 AromaticContact CG-CE1 3.75Å; F280-F291 HydrophobicContact CG-CE1 3.75Å; F280-F291 HydrophobicContact CG-CZ 4.21Å; F280-F291 HydrophobicContact CZ-CE1 4.03Å; F280-F291 HydrophobicContact CZ-CZ 4.13Å; N287-F291 PolarHBondContact O-N 3.42Å; A288-F291 PolarHBondContact O-N 2.9Å; R289-F291 VanDerWaalsContact C-N 3.26Å; R289-F291 PolarHBondContact O-N 3.49Å; F291-E293 VanDerWaalsContact C-N 3.32Å; F291-E293 PolarHBondContact O-N 2.89Å; F291-W294 HydrophobicContact CD2-CE3 4.05Å; F291-W294 HydrophobicContact CD2-CZ3 4.27Å; F291-W294 AromaticContact CE2-CE3 3.89Å; F291-W294 HydrophobicContact CE2-CE3 3.89Å; F291-W294 AromaticContact CE2-CZ3 3.66Å; F291-W294 HydrophobicContact CE2-CZ3 3.66Å; F291-W294 HydrophobicContact CZ-CE3 4.42Å; F291-W294 HydrophobicContact CZ-CZ3 4.13Å; F291-W294 WeakPolarHBondContact O-CB 3.4Å; F291-W294 PolarHBondContact O-N 3.21Å; F291-W294 VanDerWaalsContact O-N 3.08Å; F291-I295 HydrophobicContact CD1-CG1 4.01Å; F291-I295 HydrophobicContact CE1-CD1 4.03Å; F291-I295 HydrophobicContact CE1-CG1 3.6Å; F291-I295 HydrophobicContact CZ-CD1 3.94Å; F291-I295 HydrophobicContact CZ-CG1 4.03Å; F291-I295 WeakPolarHBondContact O-CG1 3.39Å; F291-I295 PolarHBondContact O-N 2.94Å; F291-L558 HydrophobicContact CD2-CD2 3.78Å; F291-L558 HydrophobicContact CE2-CD2 4.25Å; F291-L558 HydrophobicContact CG-CD2 4.32Å; F291-F588 HydrophobicContact CB-CZ 4.47Å
292	A	97.3	Very high	94.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-36.2	177.7	0	0	0	0	0	112.8	A114 A288 R289 W294 I295 C296 C303 V305	A114-A292 HydrophobicContact CB-CB 4.24Å; A288-A292 PolarHBondContact O-N 3.36Å; R289-A292 PolarHBondContact O-N 2.68Å; A292-W294 VanDerWaalsContact C-N 3.3Å; A292-W294 PolarHBondContact O-N 3.36Å; A292-I295 PolarHBondContact O-N 3.01Å; A292-C296 VanDerWaalsContact O-CB 3.27Å; A292-C296 WeakPolarHBondContact O-CB 3.38Å; A292-C296 PolarHBondContact O-N 3.43Å; A292-C303 HydrophobicContact CB-CB 4.11Å; A292-V305 HydrophobicContact CB-CG2 3.29Å
293	E	96.6	Very high	95.1	Very high	16 Å²	16	24.8 Å²	24.8	8%	0.075	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-36.6	171.3	-67.8	172.8	-163.5	0	0	112.8	V98 V100 A114 R289 F291 H297 F591 R595	V98-E293 HydrophobicContact CG1-CB 4.07Å; V98-E293 HydrophobicContact CG1-CG 4.05Å; V100-E293 HydrophobicContact CG2-CG 3.61Å; A114-E293 HydrophobicContact CB-CG 4.23Å; R289-E293 HydrophobicContact CG-CG 4.29Å; R289-E293 WeakPolarHBondContact CG-OE1 3.5Å; R289-E293 VanDerWaalsContact O-CG 3.31Å; R289-E293 WeakPolarHBondContact O-CG 3.41Å; R289-E293 PolarHBondContact O-N 3.33Å; F291-E293 VanDerWaalsContact C-N 3.32Å; F291-E293 PolarHBondContact O-N 2.89Å; E293-H297 WeakPolarHBondContact O-CB 3.38Å; E293-H297 PolarHBondContact O-N 3.08Å; E293-F591 HydrophobicContact CB-CE1 4.28Å; E293-F591 HydrophobicContact CB-CZ 3.66Å; E293-R595 IonicContact OE1-NH2 2.75Å; E293-R595 IonicContact OE2-CZ 2.81Å; E293-R595 IonicContact OE2-NE 3.55Å; E293-R595 PolarHBondContact OE2-NE 3.29Å; E293-R595 IonicContact OE2-NH2 3.57Å; E293-R595 PolarHBondContact OE2-NH2 3.05Å
294	W	96.9	Very high	95.6	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-68.3	-48.4	175.5	169.7	64.2	0	0	0	112	M256 E266 I269 I270 Q290 F291 A292 C296 H297 L298 K586 F588 F591	M256-W294 HydrophobicContact SD-CZ3 4.3Å; E266-W294 HydrophobicContact CB-CH2 4.43Å; E266-W294 HydrophobicContact CG-CH2 4.17Å; I269-W294 HydrophobicContact CB-CH2 3.97Å; I269-W294 HydrophobicContact CD1-CH2 4.13Å; I269-W294 HydrophobicContact CD1-CZ3 4.06Å; I269-W294 HydrophobicContact CG2-CH2 3.65Å; I269-W294 HydrophobicContact CG2-CZ2 4.35Å; I269-W294 HydrophobicContact CG2-CZ3 4.01Å; I270-W294 HydrophobicContact CD1-CZ2 4.12Å; I270-W294 HydrophobicContact CG1-CZ2 3.92Å; Q290-W294 PolarHBondContact O-N 3.14Å; F291-W294 HydrophobicContact CD2-CE3 4.05Å; F291-W294 HydrophobicContact CD2-CZ3 4.27Å; F291-W294 AromaticContact CE2-CE3 3.89Å; F291-W294 HydrophobicContact CE2-CE3 3.89Å; F291-W294 AromaticContact CE2-CZ3 3.66Å; F291-W294 HydrophobicContact CE2-CZ3 3.66Å; F291-W294 HydrophobicContact CZ-CE3 4.42Å; F291-W294 HydrophobicContact CZ-CZ3 4.13Å; F291-W294 WeakPolarHBondContact O-CB 3.4Å; F291-W294 PolarHBondContact O-N 3.21Å; F291-W294 VanDerWaalsContact O-N 3.08Å; A292-W294 VanDerWaalsContact C-N 3.3Å; A292-W294 PolarHBondContact O-N 3.36Å; W294-C296 VanDerWaalsContact C-N 3.25Å; W294-C296 PolarHBondContact O-N 3.24Å; W294-H297 PolarHBondContact O-N 2.84Å; W294-H297 VanDerWaalsContact O-N 3.13Å; W294-L298 HydrophobicContact CH2-CD2 4.43Å; W294-L298 HydrophobicContact CZ2-CD2 3.87Å; W294-L298 VanDerWaalsContact O-CB 3.25Å; W294-L298 WeakPolarHBondContact O-CB 3.4Å; W294-L298 PolarHBondContact O-N 2.89Å; W294-K586 PolarHBondContact NE1-O 2.89Å; W294-F588 HydrophobicContact CB-CD2 3.59Å; W294-F588 HydrophobicContact CB-CE2 3.88Å; W294-F588 HydrophobicContact CD2-CB 3.79Å; W294-F588 AromaticContact CD2-CD2 3.65Å; W294-F588 HydrophobicContact CD2-CD2 3.65Å; W294-F588 HydrophobicContact CD2-CG 4.05Å; W294-F588 HydrophobicContact CE3-CB 4.07Å; W294-F588 AromaticContact CE3-CD2 3.93Å; W294-F588 HydrophobicContact CE3-CD2 3.93Å; W294-F588 HydrophobicContact CE3-CG 4.15Å; W294-F588 HydrophobicContact CG-CB 4.3Å; W294-F588 AromaticContact CG-CD2 3.5Å; W294-F588 HydrophobicContact CG-CD2 3.5Å; W294-F588 HydrophobicContact CG-CE2 4.29Å; W294-F588 HydrophobicContact CG-CG 4.32Å; W294-F588 HydrophobicContact CH2-CB 4.2Å; W294-F588 HydrophobicContact CZ2-CB 3.92Å; W294-F588 HydrophobicContact CZ3-CB 4.26Å; W294-F591 HydrophobicContact CB-CD1 3.81Å; W294-F591 HydrophobicContact CB-CD2 4.01Å; W294-F591 HydrophobicContact CB-CE1 3.95Å; W294-F591 HydrophobicContact CB-CE2 4.11Å; W294-F591 HydrophobicContact CB-CG 3.87Å; W294-F591 HydrophobicContact CB-CZ 4.12Å; W294-F591 AromaticContact CD1-CD2 3.86Å; W294-F591 AromaticContact CD1-CG 3.77Å; W294-F591 HydrophobicContact CG-CB 4.36Å; W294-F591 HydrophobicContact CG-CD1 4.46Å; W294-F591 HydrophobicContact CG-CD2 4.35Å; W294-F591 HydrophobicContact CG-CG 4.15Å
295	I	97.3	Very high	95.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-55.2	-43.5	174.6	-63.9	-57.4	0	0	0	110.9	I269 Y278 F280 F291 A292 L298 H299 C303	I269-I295 HydrophobicContact CG2-CD1 3.65Å; Y278-I295 HydrophobicContact CD2-CG2 4.07Å; Y278-I295 HydrophobicContact CE2-CG2 4.47Å; F280-I295 HydrophobicContact CE1-CD1 4.28Å; F280-I295 HydrophobicContact CE2-CD1 4.06Å; F280-I295 HydrophobicContact CE2-CG1 3.87Å; F280-I295 HydrophobicContact CE2-CG2 4.15Å; F280-I295 HydrophobicContact CZ-CD1 3.53Å; F280-I295 HydrophobicContact CZ-CG1 3.88Å; F280-I295 HydrophobicContact CZ-CG2 4.47Å; F291-I295 HydrophobicContact CD1-CG1 4.01Å; F291-I295 HydrophobicContact CE1-CD1 4.03Å; F291-I295 HydrophobicContact CE1-CG1 3.6Å; F291-I295 HydrophobicContact CZ-CD1 3.94Å; F291-I295 HydrophobicContact CZ-CG1 4.03Å; F291-I295 WeakPolarHBondContact O-CG1 3.39Å; F291-I295 PolarHBondContact O-N 2.94Å; A292-I295 PolarHBondContact O-N 3.01Å; I295-L298 PolarHBondContact O-N 3.06Å; I295-H299 PolarHBondContact O-N 3.49Å; I295-C303 HydrophobicContact CB-CB 4.26Å; I295-C303 HydrophobicContact CG2-CB 4.03Å
296	C	96.4	Very high	96.1	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.014	12%	0.115	C	C	.	.	H	α-helix	trans	-65.4	-43.3	176.6	-176.1	0	0	0	0	112.7	V98 A114 P116 A292 W294 L298 K300 Q301 C303	V98-C296 HydrophobicContact CG1-CB 4.25Å; V98-C296 HydrophobicContact CG2-CB 4.4Å; A114-C296 HydrophobicContact CB-CB 3.9Å; P116-C296 VanDerWaalsContact CD-SG 3.55Å; P116-C296 VanDerWaalsContact N-SG 3.38Å; A292-C296 VanDerWaalsContact O-CB 3.27Å; A292-C296 WeakPolarHBondContact O-CB 3.38Å; A292-C296 PolarHBondContact O-N 3.43Å; W294-C296 VanDerWaalsContact C-N 3.25Å; W294-C296 PolarHBondContact O-N 3.24Å; C296-L298 VanDerWaalsContact C-N 3.31Å; C296-L298 PolarHBondContact O-N 2.92Å; C296-K300 VanDerWaalsContact O-CA 3.23Å; C296-K300 WeakPolarHBondContact O-CA 3.38Å; C296-K300 PolarHBondContact O-N 2.93Å; C296-Q301 WeakPolarHBondContact CA-O 3.19Å; C296-Q301 PolarHBondContact SG-O 2.66Å; C296-C303 HydrophobicContact CB-CB 4.39Å
297	H	94.4	Very high	96.2	Very high	60 Å²	60	22.8 Å²	22.8	28%	0.278	10%	0.101	S	C	.	.	H	α-helix	trans	-65.9	-31.7	175	177.2	65.8	0	0	0	113.7	V98 E293 W294 K586 F591	V98-H297 HydrophobicContact CG2-CB 3.78Å; E293-H297 WeakPolarHBondContact O-CB 3.38Å; E293-H297 PolarHBondContact O-N 3.08Å; W294-H297 PolarHBondContact O-N 2.84Å; W294-H297 VanDerWaalsContact O-N 3.13Å; H297-K586 PolarHBondContact NE2-NZ 3.25Å; H297-K586 VanDerWaalsContact NE2-NZ 3.15Å; H297-K586 PolarHBondContact O-NZ 3.44Å; H297-F591 HydrophobicContact CB-CD2 4.35Å; H297-F591 HydrophobicContact CB-CE2 3.89Å
298	L	94.8	Very high	96.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-75.5	-63	-178.9	180	57.6	0	0	0	110.4	I269 I270 W294 I295 C296 K300 K586	I269-L298 HydrophobicContact CG2-CD2 3.77Å; I270-L298 HydrophobicContact CG1-CD1 4.3Å; I270-L298 HydrophobicContact CG1-CD2 3.91Å; I270-L298 HydrophobicContact CG2-CD1 4.45Å; W294-L298 HydrophobicContact CH2-CD2 4.43Å; W294-L298 HydrophobicContact CZ2-CD2 3.87Å; W294-L298 VanDerWaalsContact O-CB 3.25Å; W294-L298 WeakPolarHBondContact O-CB 3.4Å; W294-L298 PolarHBondContact O-N 2.89Å; I295-L298 PolarHBondContact O-N 3.06Å; C296-L298 VanDerWaalsContact C-N 3.31Å; C296-L298 PolarHBondContact O-N 2.92Å; L298-K300 PolarHBondContact O-NZ 3.48Å; L298-K586 HydrophobicContact CD1-CB 3.83Å; L298-K586 HydrophobicContact CD1-CD 3.82Å; L298-K586 HydrophobicContact CD1-CG 3.94Å
299	H	95.3	Very high	95.7	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-94.6	1	-171.3	-59.2	-63.8	0	0	0	114.9	I269 L272 D274 Y278 I295 Q301	I269-H299 PolarHBondContact O-CE1 3.14Å; I269-H299 PolarHBondContact O-NE2 3.13Å; L272-H299 PolarHBondContact O-CE1 2.72Å; D274-H299 WeakPolarHBondContact OD1-CA 3.36Å; D274-H299 IonicContact OD1-CG 2.75Å; D274-H299 IonicContact OD1-ND1 3.17Å; D274-H299 PolarHBondContact OD1-ND1 3.29Å; Y278-H299 HydrophobicContact CE2-CB 4.3Å; Y278-H299 AromaticContact CE2-CD2 3.42Å; Y278-H299 VanDerWaalsContact CE2-CD2 3.42Å; Y278-H299 WeakPolarHBondContact CE2-CD2 3.39Å; Y278-H299 AromaticContact CE2-CG 3.84Å; Y278-H299 AromaticContact CE2-NE2 3.91Å; Y278-H299 AromaticContact CZ-CD2 3.82Å; Y278-H299 AromaticContact CZ-NE2 3.85Å; Y278-H299 PolarHBondContact OH-CE1 2.84Å; Y278-H299 PolarHBondContact OH-ND1 2.65Å; Y278-H299 PolarHBondContact OH-NE2 2.76Å; I295-H299 PolarHBondContact O-N 3.49Å; H299-Q301 HydrophobicContact CB-CG 4.04Å; H299-Q301 PolarHBondContact O-N 2.94Å; H299-Q301 VanDerWaalsContact O-N 3.15Å
300	K	94.7	Very high	95.2	Very high	113 Å²	113	26.6 Å²	26.6	49%	0.491	12%	0.122	S	C	.	.	S	Bend	trans	59.8	28.4	171.6	-48.8	158.6	-153.2	66.6	0	113.1	D274 C296 L298	D274-K300 IonicContact OD1-NZ 3.6Å; D274-K300 IonicContact OD2-NZ 2.68Å; D274-K300 PolarHBondContact OD2-NZ 2.95Å; C296-K300 VanDerWaalsContact O-CA 3.23Å; C296-K300 WeakPolarHBondContact O-CA 3.38Å; C296-K300 PolarHBondContact O-N 2.93Å; L298-K300 PolarHBondContact O-NZ 3.48Å
301	Q	94.9	Very high	94.6	Very high	17 Å²	17	26.3 Å²	26.3	8%	0.079	12%	0.12	C	C	.	.	S	Bend	trans	-125.6	156.3	179.9	63	174	-84.3	0	0	111	S155 D274 V276 H277 C296 H299	S155-Q301 PolarHBondContact OG-OE1 3.03Å; D274-Q301 PolarHBondContact O-NE2 2.77Å; D274-Q301 VanDerWaalsContact O-NE2 3.13Å; V276-Q301 PolarHBondContact O-NE2 2.57Å; H277-Q301 PolarHBondContact ND1-OE1 2.67Å; C296-Q301 WeakPolarHBondContact CA-O 3.19Å; C296-Q301 PolarHBondContact SG-O 2.66Å; H299-Q301 HydrophobicContact CB-CG 4.04Å; H299-Q301 PolarHBondContact O-N 2.94Å; H299-Q301 VanDerWaalsContact O-N 3.15Å
302	P	96.7	Very high	94.1	Very high	18 Å²	18	27.6 Å²	27.6	12%	0.117	13%	0.128	C	C	.	.			trans	-56.9	136.3	172	-29.5	38.7	0	0	0	113.2	V113 A114 L115 Q154 S155	V113-P302 HydrophobicContact CG2-CB 4.27Å; A114-P302 WeakPolarHBondContact O-CA 3.37Å; L115-P302 HydrophobicContact CD2-CB 3.89Å; L115-P302 HydrophobicContact CD2-CG 3.92Å; Q154-P302 HydrophobicContact CG-CB 4.44Å; S155-P302 PolarHBondContact N-O 3.32Å
303	C	97.8	Very high	93.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.3	174.5	-169	0	0	0	0	110.6	A114 S155 A292 I295 C296	A114-C303 PolarHBondContact N-O 3.44Å; A114-C303 PolarHBondContact O-N 3.05Å; S155-C303 CarbonylContact O-C 3.53Å; S155-C303 WeakPolarHBondContact O-CA 3.48Å; A292-C303 HydrophobicContact CB-CB 4.11Å; I295-C303 HydrophobicContact CB-CB 4.26Å; I295-C303 HydrophobicContact CG2-CB 4.03Å; C296-C303 HydrophobicContact CB-CB 4.39Å
304	H	98.1	Very high	93.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	147.2	-176	-65.2	-111.3	0	0	0	111.2	H111 E112 C149 Q154 S155 V156 L157	H111-H304 AromaticContact CD2-ND1 3.96Å; H111-H304 AromaticContact CE1-ND1 3.91Å; H111-H304 AromaticContact NE2-CE1 3.9Å; H111-H304 AromaticContact NE2-CG 3.92Å; H111-H304 AromaticContact NE2-ND1 2.96Å; H111-H304 PolarHBondContact NE2-ND1 2.64Å; E112-H304 CarbonylContact O-C 3.55Å; E112-H304 WeakPolarHBondContact O-CA 3.28Å; C149-H304 PolarHBondContact SG-ND1 2.98Å; Q154-H304 WeakPolarHBondContact CB-NE2 3.25Å; Q154-H304 PolarHBondContact OE1-NE2 3.41Å; S155-H304 PolarHBondContact O-CD2 2.93Å; S155-H304 PolarHBondContact O-N 3Å; V156-H304 HydrophobicContact CB-CB 4.2Å; V156-H304 HydrophobicContact CG2-CB 4.03Å; L157-H304 PolarHBondContact N-O 2.89Å
305	V	97.9	Very high	93.4	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.036	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	111.6	171.5	179.8	0	0	0	0	108.2	H111 E112 L157 A288 A292	H111-V305 WeakPolarHBondContact CA-O 3.36Å; E112-V305 HydrophobicContact CB-CB 4.43Å; E112-V305 PolarHBondContact N-O 3.31Å; E112-V305 PolarHBondContact O-N 3.05Å; L157-V305 HydrophobicContact CD2-CG2 4.37Å; A288-V305 HydrophobicContact CB-CG1 3.63Å; A292-V305 HydrophobicContact CB-CG2 3.29Å
306	I	96.7	Very high	93.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	105.8	171.1	-56.4	-53.1	0	0	0	107.1	H111 F142 E145 A146 V156 L157 S159	H111-I306 HydrophobicContact CB-CD1 3.94Å; H111-I306 VanDerWaalsContact CG-CD1 3.41Å; F142-I306 HydrophobicContact CB-CG2 3.78Å; E145-I306 HydrophobicContact CB-CD1 3.77Å; E145-I306 HydrophobicContact CB-CG1 4.4Å; E145-I306 HydrophobicContact CB-CG2 4.48Å; A146-I306 HydrophobicContact CB-CG1 4.17Å; V156-I306 HydrophobicContact CG2-CG1 3.73Å; L157-I306 PolarHBondContact O-N 2.93Å; S159-I306 PolarHBondContact N-O 3.44Å
307	Y	95.1	Very high	93.4	Very high	50 Å²	50	31.2 Å²	31.2	20%	0.196	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.6	-179	-177.3	-77.1	0	0	0	110.8	C109 T110 S159 T284 D309	C109-Y307 PolarHBondContact SG-O 2.85Å; T110-Y307 PolarHBondContact N-O 3.35Å; T110-Y307 PolarHBondContact O-N 3.32Å; T110-Y307 PolarHBondContact OG1-O 3.38Å; S159-Y307 WeakPolarHBondContact O-CA 3.36Å; S159-Y307 WeakPolarHBondContact OG-CD2 3.44Å; T284-Y307 HydrophobicContact CG2-CE2 4.4Å; Y307-D309 WeakPolarHBondContact CE1-OD1 3.25Å; Y307-D309 PolarHBondContact OH-OD1 2.95Å
308	T	92.1	Very high	93.5	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.025	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	135.9	169.4	-175.7	0	0	0	0	112.7	G108 F142 S159 A160 Y310	G108-T308 WeakPolarHBondContact O-CB 3.29Å; G108-T308 PolarHBondContact O-OG1 2.82Å; F142-T308 HydrophobicContact CB-CG2 3.89Å; F142-T308 HydrophobicContact CD1-CG2 3.83Å; F142-T308 HydrophobicContact CD2-CG2 4.27Å; F142-T308 HydrophobicContact CE1-CG2 4.46Å; F142-T308 HydrophobicContact CG-CG2 3.72Å; S159-T308 PolarHBondContact O-N 3.13Å; S159-T308 VanDerWaalsContact O-N 3.12Å; A160-T308 HydrophobicContact CB-CG2 3.85Å; T308-Y310 VanDerWaalsContact C-N 3.26Å; T308-Y310 VanDerWaalsContact OG1-CB 3.22Å; T308-Y310 WeakPolarHBondContact OG1-CB 3.22Å; T308-Y310 PolarHBondContact OG1-N 2.92Å
309	D	87.4	Confident	93.4	Very high	106 Å²	106	30.4 Å²	30.4	57%	0.567	14%	0.143	S	C	*	.			trans	-84.2	2	167.9	-62.8	-53.1	0	0	0	112.5	Y307 R311	Y307-D309 WeakPolarHBondContact CE1-OD1 3.25Å; Y307-D309 PolarHBondContact OH-OD1 2.95Å; D309-R311 PolarHBondContact O-N 3.04Å
310	Y	85.7	Confident	93.3	Very high	116 Å²	116	30.8 Å²	30.8	46%	0.455	15%	0.145	S	C	.	.			trans	-61.6	130.2	-178.3	179	-112.2	0	0	0	111.8	T308 P312	T308-Y310 VanDerWaalsContact C-N 3.26Å; T308-Y310 VanDerWaalsContact OG1-CB 3.22Å; T308-Y310 WeakPolarHBondContact OG1-CB 3.22Å; T308-Y310 PolarHBondContact OG1-N 2.92Å; Y310-P312 HydrophobicContact CD1-CG 4.39Å; Y310-P312 HydrophobicContact CE1-CB 4.37Å; Y310-P312 HydrophobicContact CE1-CG 3.87Å
311	R	84.1	Confident	92.8	Very high	36 Å²	36	25.4 Å²	25.4	14%	0.136	12%	0.121	C	C	.	.			trans	-120.5	116.7	176.2	-167.2	176.4	-84.4	-93.3	-7.7	109.7	H161 D309 T313 G521	H161-R311 PolarHBondContact CD2-NE 3.19Å; H161-R311 PolarHBondContact CD2-NH2 3.02Å; H161-R311 VanDerWaalsContact CD2-NH2 3.3Å; H161-R311 VanDerWaalsContact CG-NH2 3.3Å; H161-R311 PolarHBondContact NE2-NH2 3.36Å; D309-R311 PolarHBondContact O-N 3.04Å; R311-T313 WeakPolarHBondContact CD-O 3.47Å; R311-T313 VanDerWaalsContact CG-O 3.22Å; R311-T313 WeakPolarHBondContact CG-O 3.3Å; R311-T313 PolarHBondContact O-N 3.41Å; R311-T313 VanDerWaalsContact O-N 3.14Å; R311-G521 PolarHBondContact NH1-O 2.92Å
312	P	85.3	Confident	92	Very high	26 Å²	26	25 Å²	25	17%	0.169	12%	0.122	C	C	.	.	S	Bend	trans	-60.8	-22.7	-179.5	-27.7	35.6	0	0	0	115.7	Y310 R526	Y310-P312 HydrophobicContact CD1-CG 4.39Å; Y310-P312 HydrophobicContact CE1-CB 4.37Å; Y310-P312 HydrophobicContact CE1-CG 3.87Å; P312-R526 HydrophobicContact CB-CB 4.46Å; P312-R526 HydrophobicContact CB-CG 3.83Å
313	T	90.1	Very high	90.8	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.037	13%	0.13	C	C	.	.	S	Bend	trans	-128.9	108.5	174.3	-61.5	0	0	0	0	108.5	R311 D529	R311-T313 WeakPolarHBondContact CD-O 3.47Å; R311-T313 VanDerWaalsContact CG-O 3.22Å; R311-T313 WeakPolarHBondContact CG-O 3.3Å; R311-T313 PolarHBondContact O-N 3.41Å; R311-T313 VanDerWaalsContact O-N 3.14Å; T313-D529 HydrophobicContact CG2-CB 4.32Å; T313-D529 VanDerWaalsContact CG2-O 3.27Å; T313-D529 WeakPolarHBondContact CG2-O 3.28Å
314	P	92.4	Very high	89.7	Confident	39 Å²	39	25.9 Å²	25.9	25%	0.253	13%	0.134	S	C	.	.			trans	-65.1	161.3	-175.8	27.5	-35.9	0	0	0	112.3	E333 D530 R531 G532	P314-E333 HydrophobicContact CB-CB 4.01Å; P314-E333 HydrophobicContact CB-CG 4.17Å; P314-E333 HydrophobicContact CG-CB 4.43Å; P314-E333 HydrophobicContact CG-CG 4.31Å; P314-D530 WeakPolarHBondContact CD-O 3.28Å; P314-R531 HydrophobicContact CG-CB 4.28Å; P314-R531 CarbonylContact O-C 3.55Å; P314-R531 VanDerWaalsContact O-CA 3.28Å; P314-R531 WeakPolarHBondContact O-CA 3.37Å; P314-R531 WeakPolarHBondContact O-CB 3.29Å; P314-G532 PolarHBondContact O-N 3.45Å
315	L	94.4	Very high	88.7	Confident	14 Å²	14	33.8 Å²	33.8	7%	0.073	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143.1	-178.1	-61.5	-174.7	0	0	0	112.1	H317 D332 E333 A523 G532 V534	L315-H317 WeakPolarHBondContact CB-NE2 3.49Å; L315-D332 CarbonylContact O-C 3.59Å; L315-E333 WeakPolarHBondContact O-CA 3.45Å; L315-A523 HydrophobicContact CD2-CB 3.87Å; L315-A523 WeakPolarHBondContact CD2-O 3.47Å; L315-G532 WeakPolarHBondContact CA-O 3.39Å; L315-V534 HydrophobicContact CB-CG2 4.5Å; L315-V534 HydrophobicContact CD1-CG2 4.25Å; L315-V534 HydrophobicContact CD2-CG2 4.4Å
316	Q	96	Very high	88	Confident	18 Å²	18	35 Å²	35	8%	0.084	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.5	164.2	-71.5	-175.6	-20.3	0	0	109.5	Y318 L329 E333 R531 G532 V534	Q316-Y318 HydrophobicContact CB-CD2 4.28Å; Q316-Y318 HydrophobicContact CB-CE2 3.58Å; Q316-Y318 PolarHBondContact OE1-OH 3.02Å; Q316-L329 HydrophobicContact CB-CD1 3.91Å; Q316-L329 HydrophobicContact CG-CD1 4.28Å; Q316-E333 HydrophobicContact CG-CG 3.73Å; Q316-E333 PolarHBondContact NE2-OE1 3.22Å; Q316-R531 VanDerWaalsContact CD-CD 3.47Å; Q316-R531 VanDerWaalsContact NE2-NE 3.18Å; Q316-R531 VanDerWaalsContact OE1-NE 3.08Å; Q316-G532 PolarHBondContact N-O 2.95Å; Q316-V534 PolarHBondContact O-N 3.45Å
317	H	96.9	Very high	87.7	Confident	20 Å²	20	37 Å²	37	9%	0.093	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.3	-178.9	-55.4	-110.1	0	0	0	110.5	L315 V330 V331 Y516	L315-H317 WeakPolarHBondContact CB-NE2 3.49Å; H317-V330 HydrophobicContact CB-CG2 4.47Å; H317-V330 VanDerWaalsContact O-CG2 3.26Å; H317-V330 WeakPolarHBondContact O-CG2 3.43Å; H317-V330 PolarHBondContact O-N 2.96Å; H317-V331 HydrophobicContact CB-CB 3.88Å; H317-V331 HydrophobicContact CB-CG2 4.28Å; H317-V331 PolarHBondContact N-O 3.41Å; H317-V331 PolarHBondContact O-N 2.92Å; H317-V331 VanDerWaalsContact O-N 3.15Å; H317-Y516 AromaticContact CE1-CE1 3.88Å; H317-Y516 AromaticContact ND1-CE1 3.55Å; H317-Y516 AromaticContact ND1-CZ 3.62Å; H317-Y516 PolarHBondContact ND1-OH 3.31Å
318	Y	96.2	Very high	87.6	Confident	44 Å²	44	36.2 Å²	36.2	17%	0.173	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.6	-179.9	-65.5	-94.7	0	0	0	111.3	Q316 L327 H328 L329 I533 V534 I535 L536	Q316-Y318 HydrophobicContact CB-CD2 4.28Å; Q316-Y318 HydrophobicContact CB-CE2 3.58Å; Q316-Y318 PolarHBondContact OE1-OH 3.02Å; Y318-L327 HydrophobicContact CD1-CB 3.82Å; Y318-L327 HydrophobicContact CG-CB 4.31Å; Y318-H328 CarbonylContact C-O 3.5Å; Y318-H328 WeakPolarHBondContact CA-O 3.47Å; Y318-L329 HydrophobicContact CD1-CB 3.98Å; Y318-L329 HydrophobicContact CD1-CD1 4.25Å; Y318-L329 HydrophobicContact CD2-CD1 4.32Å; Y318-L329 HydrophobicContact CE1-CB 3.73Å; Y318-L329 HydrophobicContact CE1-CD1 3.88Å; Y318-L329 HydrophobicContact CE1-CG 4.38Å; Y318-L329 HydrophobicContact CE2-CD1 3.95Å; Y318-L329 HydrophobicContact CG-CD1 4.45Å; Y318-I533 HydrophobicContact CD2-CG2 4.04Å; Y318-I533 HydrophobicContact CE2-CG2 4.1Å; Y318-V534 PolarHBondContact N-O 3.42Å; Y318-I535 WeakPolarHBondContact O-CA 3.26Å; Y318-L536 PolarHBondContact O-N 2.98Å
319	I	93.6	Very high	87.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.6	163.9	-74.7	177.4	0	0	0	109.9	H328 V330 F342 A345 M346 L536 V538 L551	I319-H328 PolarHBondContact N-O 3.05Å; I319-H328 PolarHBondContact O-N 3.19Å; I319-V330 HydrophobicContact CB-CG1 4.34Å; I319-V330 HydrophobicContact CD1-CG1 4.14Å; I319-V330 HydrophobicContact CD1-CG2 4.17Å; I319-V330 HydrophobicContact CG1-CG1 4.25Å; I319-V330 HydrophobicContact CG1-CG2 3.89Å; I319-F342 HydrophobicContact CD1-CD2 3.67Å; I319-F342 HydrophobicContact CD1-CE2 3.69Å; I319-A345 HydrophobicContact CB-CB 4.42Å; I319-A345 HydrophobicContact CG2-CB 3.93Å; I319-M346 HydrophobicContact CD1-CE 3.86Å; I319-M346 HydrophobicContact CG2-CE 4.31Å; I319-L536 WeakPolarHBondContact CA-O 3.19Å; I319-L536 HydrophobicContact CG1-CB 4.34Å; I319-L536 HydrophobicContact CG1-CD2 4.5Å; I319-V538 HydrophobicContact CD1-CG2 4.39Å; I319-V538 HydrophobicContact CG1-CG2 4.36Å; I319-V538 HydrophobicContact CG2-CB 4.28Å; I319-V538 HydrophobicContact CG2-CG2 3.89Å; I319-L551 HydrophobicContact CD1-CD1 4.46Å
320	F	92.8	Very high	88.1	Confident	11 Å²	11	33 Å²	33	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	105.8	164.3	-173.8	-90.9	0	0	0	109.5	G324 L327 N372 I376 I535 L536 M537 V538	F320-G324 WeakPolarHBondContact CZ-O 3.5Å; F320-L327 HydrophobicContact CB-CD2 3.86Å; F320-L327 HydrophobicContact CD2-CD2 4.04Å; F320-L327 HydrophobicContact CG-CD2 4.45Å; F320-N372 HydrophobicContact CE1-CB 3.85Å; F320-N372 HydrophobicContact CZ-CB 4.37Å; F320-I376 HydrophobicContact CB-CD1 4.12Å; F320-I376 HydrophobicContact CD1-CD1 3.76Å; F320-I376 HydrophobicContact CD2-CD1 3.95Å; F320-I376 HydrophobicContact CD2-CG1 4.03Å; F320-I376 HydrophobicContact CE1-CD1 4.18Å; F320-I376 HydrophobicContact CE2-CD1 4.35Å; F320-I376 HydrophobicContact CE2-CG1 4.19Å; F320-I376 HydrophobicContact CG-CD1 3.64Å; F320-I376 HydrophobicContact CG-CG1 4.24Å; F320-I376 HydrophobicContact CZ-CD1 4.45Å; F320-I535 HydrophobicContact CB-CG2 4.19Å; F320-L536 PolarHBondContact N-O 3.38Å; F320-M537 HydrophobicContact CB-CG 4.27Å; F320-M537 HydrophobicContact CD1-CE 4.41Å; F320-M537 HydrophobicContact CD1-CG 4.42Å; F320-V538 PolarHBondContact O-N 3.47Å
321	P	85.2	Confident	88.6	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	128.6	173.3	28.4	-31.3	0	0	0	110.6	G323 G324 A345 V348 L349	P321-G323 PolarHBondContact O-N 3.25Å; P321-G324 PolarHBondContact O-N 3.18Å; P321-A345 WeakPolarHBondContact CB-O 3.35Å; P321-A345 HydrophobicContact CG-CB 4.44Å; P321-V348 HydrophobicContact CB-CB 4.21Å; P321-V348 HydrophobicContact CB-CG1 4.04Å; P321-V348 HydrophobicContact CG-CB 4.01Å; P321-V348 HydrophobicContact CG-CG1 3.76Å; P321-L349 HydrophobicContact CB-CD1 4.26Å; P321-L349 HydrophobicContact CB-CD2 4.38Å; P321-L349 HydrophobicContact CB-CG 3.74Å
322	A	77.8	Confident	89	Confident	10 Å²	10	26.9 Å²	26.9	8%	0.083	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	121.1	179.7	0	0	0	0	0	112.1	G324 L349 A356 V538 D539	A322-G324 VanDerWaalsContact C-N 3.32Å; A322-L349 HydrophobicContact CB-CD2 4.07Å; A322-A356 HydrophobicContact CB-CB 4.48Å; A322-A356 VanDerWaalsContact O-CA 3.32Å; A322-A356 WeakPolarHBondContact O-CA 3.43Å; A322-A356 VanDerWaalsContact O-CB 3.25Å; A322-A356 WeakPolarHBondContact O-CB 3.36Å; A322-V538 WeakPolarHBondContact CB-O 3.21Å; A322-V538 PolarHBondContact N-O 2.73Å; A322-D539 HydrophobicContact CB-CB 3.77Å
323	G	71.1	Confident	89.3	Confident	29 Å²	29	29.8 Å²	29.8	30%	0.299	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	3.6	-175.6	0	0	0	0	0	115.7	P321	P321-G323 PolarHBondContact O-N 3.25Å
324	G	75.5	Confident	89.2	Confident	7 Å²	7	36.1 Å²	36.1	7%	0.072	20%	0.204	C	C	.	.			trans	-80.5	161.2	161.1	0	0	0	0	0	112.2	F320 P321 A322	F320-G324 WeakPolarHBondContact CZ-O 3.5Å; P321-G324 PolarHBondContact O-N 3.18Å; A322-G324 VanDerWaalsContact C-N 3.32Å
325	D	75.4	Confident	88.9	Confident	166 Å²	166	35.3 Å²	35.3	89%	0.888	20%	0.202	S	C	*	.	S	Bend	trans	-95.6	1.5	-179	-67.9	-47.5	0	0	0	114.1
326	G	83.3	Confident	88.8	Confident	31 Å²	31	38.6 Å²	38.6	32%	0.32	22%	0.219	S	C	.	.	S	Bend	trans	-151.1	154.5	-170	0	0	0	0	0	116.6	H328	G326-H328 PolarHBondContact O-CE1 3.28Å; G326-H328 PolarHBondContact O-ND1 3.23Å; G326-H328 VanDerWaalsContact O-ND1 3.1Å
327	L	91.8	Very high	88.6	Confident	43 Å²	43	39.2 Å²	39.2	23%	0.225	22%	0.222	C	C	.	.			trans	-82	137.3	172	-69.4	174	0	0	0	111.1	Y318 F320 M379 I535	Y318-L327 HydrophobicContact CD1-CB 3.82Å; Y318-L327 HydrophobicContact CG-CB 4.31Å; F320-L327 HydrophobicContact CB-CD2 3.86Å; F320-L327 HydrophobicContact CD2-CD2 4.04Å; F320-L327 HydrophobicContact CG-CD2 4.45Å; L327-M379 HydrophobicContact CD1-CE 3.8Å; L327-M379 HydrophobicContact CD1-SD 4Å; L327-I535 HydrophobicContact CD1-CD1 3.88Å; L327-I535 HydrophobicContact CD1-CG1 4.25Å; L327-I535 HydrophobicContact CD2-CB 4.46Å; L327-I535 HydrophobicContact CD2-CD1 4.21Å; L327-I535 HydrophobicContact CD2-CG1 4.09Å; L327-I535 HydrophobicContact CD2-CG2 3.57Å
328	H	93.1	Very high	88.3	Confident	34 Å²	34	43.4 Å²	43.4	16%	0.157	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.6	179.6	-60.8	68.5	0	0	0	109.5	Y318 I319 G326 V330 A345	Y318-H328 CarbonylContact C-O 3.5Å; Y318-H328 WeakPolarHBondContact CA-O 3.47Å; I319-H328 PolarHBondContact N-O 3.05Å; I319-H328 PolarHBondContact O-N 3.19Å; G326-H328 PolarHBondContact O-CE1 3.28Å; G326-H328 PolarHBondContact O-ND1 3.23Å; G326-H328 VanDerWaalsContact O-ND1 3.1Å; H328-V330 PolarHBondContact O-N 3.44Å; H328-A345 HydrophobicContact CB-CB 3.96Å
329	L	95.9	Very high	87.8	Confident	44 Å²	44	45.4 Å²	45.4	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	112.4	179	-178.5	69.2	0	0	0	109.9	Q316 Y318 V331 D332 N341	Q316-L329 HydrophobicContact CB-CD1 3.91Å; Q316-L329 HydrophobicContact CG-CD1 4.28Å; Y318-L329 HydrophobicContact CD1-CB 3.98Å; Y318-L329 HydrophobicContact CD1-CD1 4.25Å; Y318-L329 HydrophobicContact CD2-CD1 4.32Å; Y318-L329 HydrophobicContact CE1-CB 3.73Å; Y318-L329 HydrophobicContact CE1-CD1 3.88Å; Y318-L329 HydrophobicContact CE1-CG 4.38Å; Y318-L329 HydrophobicContact CE2-CD1 3.95Å; Y318-L329 HydrophobicContact CG-CD1 4.45Å; L329-V331 VanDerWaalsContact CD1-O 3.28Å; L329-V331 WeakPolarHBondContact CD1-O 3.38Å; L329-D332 HydrophobicContact CD2-CB 4.25Å; L329-N341 WeakPolarHBondContact O-CB 3.22Å; L329-N341 PolarHBondContact O-ND2 3.02Å
330	V	94.1	Very high	87.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-21.4	-174.8	-67.6	0	0	0	0	113.8	H317 I319 H328 F337 R338 F342 L551	H317-V330 HydrophobicContact CB-CG2 4.47Å; H317-V330 VanDerWaalsContact O-CG2 3.26Å; H317-V330 WeakPolarHBondContact O-CG2 3.43Å; H317-V330 PolarHBondContact O-N 2.96Å; I319-V330 HydrophobicContact CB-CG1 4.34Å; I319-V330 HydrophobicContact CD1-CG1 4.14Å; I319-V330 HydrophobicContact CD1-CG2 4.17Å; I319-V330 HydrophobicContact CG1-CG1 4.25Å; I319-V330 HydrophobicContact CG1-CG2 3.89Å; H328-V330 PolarHBondContact O-N 3.44Å; V330-F337 CarbonylContact O-C 3.57Å; V330-F337 WeakPolarHBondContact O-CA 3.35Å; V330-F337 WeakPolarHBondContact O-CD2 3.38Å; V330-R338 PolarHBondContact O-N 2.94Å; V330-F342 HydrophobicContact CG1-CB 3.88Å; V330-F342 HydrophobicContact CG1-CD2 4.22Å; V330-L551 HydrophobicContact CB-CD1 4.26Å; V330-L551 HydrophobicContact CG2-CD1 3.61Å
331	V	95.1	Very high	87.2	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.024	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.8	162.5	-170.3	0	0	0	0	108.7	H317 L329 G335 D336 F337 L551 K552	H317-V331 HydrophobicContact CB-CB 3.88Å; H317-V331 HydrophobicContact CB-CG2 4.28Å; H317-V331 PolarHBondContact N-O 3.41Å; H317-V331 PolarHBondContact O-N 2.92Å; H317-V331 VanDerWaalsContact O-N 3.15Å; L329-V331 VanDerWaalsContact CD1-O 3.28Å; L329-V331 WeakPolarHBondContact CD1-O 3.38Å; V331-G335 VanDerWaalsContact CG1-C 3.44Å; V331-D336 WeakPolarHBondContact CA-O 3.07Å; V331-F337 HydrophobicContact CG2-CD2 4.08Å; V331-L551 HydrophobicContact CG2-CB 3.89Å; V331-L551 HydrophobicContact CG2-CD1 4.46Å; V331-K552 HydrophobicContact CG2-CG 4.23Å
332	D	93.8	Very high	87.3	Confident	19 Å²	19	54.2 Å²	54.2	10%	0.102	30%	0.296	C	S	.	.			trans	-96.3	-176.4	178.8	62.2	40.7	0	0	0	113.7	L315 L329 N334 G335 D336 R338	L315-D332 CarbonylContact O-C 3.59Å; L329-D332 HydrophobicContact CD2-CB 4.25Å; D332-N334 PolarHBondContact O-N 3.16Å; D332-N334 PolarHBondContact OD1-N 3.18Å; D332-N334 VanDerWaalsContact OD1-N 3.13Å; D332-G335 WeakPolarHBondContact O-CA 3.35Å; D332-G335 PolarHBondContact O-N 3.23Å; D332-D336 PolarHBondContact N-O 3.31Å; D332-D336 PolarHBondContact OD1-N 3.38Å; D332-D336 VanDerWaalsContact OD1-N 3.08Å; D332-R338 IonicContact OD2-CZ 2.79Å; D332-R338 IonicContact OD2-NE 3.66Å; D332-R338 PolarHBondContact OD2-NE 3.23Å; D332-R338 IonicContact OD2-NH2 3.82Å; D332-R338 PolarHBondContact OD2-NH2 3.31Å
333	E	90.9	Very high	87.4	Confident	86 Å²	86	56.4 Å²	56.4	40%	0.402	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.5	-174	-69.6	163.8	-145.2	0	0	114.1	P314 L315 Q316 R531	P314-E333 HydrophobicContact CB-CB 4.01Å; P314-E333 HydrophobicContact CB-CG 4.17Å; P314-E333 HydrophobicContact CG-CB 4.43Å; P314-E333 HydrophobicContact CG-CG 4.31Å; L315-E333 WeakPolarHBondContact O-CA 3.45Å; Q316-E333 HydrophobicContact CG-CG 3.73Å; Q316-E333 PolarHBondContact NE2-OE1 3.22Å; E333-R531 WeakPolarHBondContact OE1-CD 3.41Å; E333-R531 IonicContact OE1-NE 2.69Å
334	N	88	Confident	88	Confident	140 Å²	140	58 Å²	58	75%	0.749	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.2	172.6	-60.4	-27.8	0	0	0	111.8	D332	D332-N334 PolarHBondContact O-N 3.16Å; D332-N334 PolarHBondContact OD1-N 3.18Å; D332-N334 VanDerWaalsContact OD1-N 3.13Å
335	G	86.4	Confident	88.3	Confident	21 Å²	21	57.7 Å²	57.7	22%	0.216	31%	0.307	C	S	.	.			trans	78.4	21.2	-170.5	0	0	0	0	0	113.5	V331 D332 K552	V331-G335 VanDerWaalsContact CG1-C 3.44Å; D332-G335 WeakPolarHBondContact O-CA 3.35Å; D332-G335 PolarHBondContact O-N 3.23Å; G335-K552 WeakPolarHBondContact O-CD 3.39Å; G335-K552 WeakPolarHBondContact O-CE 3.48Å; G335-K552 PolarHBondContact O-NZ 3.39Å
336	D	91.7	Very high	88.7	Confident	83 Å²	83	50.4 Å²	50.4	44%	0.444	27%	0.267	S	S	.	.			trans	-84.5	129.8	179.3	-82.4	-37	0	0	0	112.5	V331 D332 R338	V331-D336 WeakPolarHBondContact CA-O 3.07Å; D332-D336 PolarHBondContact N-O 3.31Å; D332-D336 PolarHBondContact OD1-N 3.38Å; D332-D336 VanDerWaalsContact OD1-N 3.08Å; D336-R338 PolarHBondContact O-N 3.28Å
337	F	91.3	Very high	88.2	Confident	31 Å²	31	53.4 Å²	53.4	14%	0.136	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-81.2	116.1	-179.2	179.8	-103.5	0	0	0	111.5	V330 V331 E339 F342 K548 L551 K552	V330-F337 CarbonylContact O-C 3.57Å; V330-F337 WeakPolarHBondContact O-CA 3.35Å; V330-F337 WeakPolarHBondContact O-CD2 3.38Å; V331-F337 HydrophobicContact CG2-CD2 4.08Å; F337-E339 HydrophobicContact CD1-CB 3.98Å; F337-E339 HydrophobicContact CE1-CB 3.69Å; F337-E339 HydrophobicContact CE1-CG 4.03Å; F337-E339 PolarHBondContact O-N 3.17Å; F337-F342 HydrophobicContact CE2-CB 4.37Å; F337-F342 HydrophobicContact CE2-CD2 4.02Å; F337-F342 HydrophobicContact CE2-CG 4.31Å; F337-F342 HydrophobicContact CZ-CB 3.88Å; F337-F342 HydrophobicContact CZ-CD1 4.33Å; F337-F342 AromaticContact CZ-CD2 3.87Å; F337-F342 HydrophobicContact CZ-CD2 3.87Å; F337-F342 AromaticContact CZ-CG 3.76Å; F337-F342 HydrophobicContact CZ-CG 3.76Å; F337-K548 HydrophobicContact CD1-CD 4.3Å; F337-K548 HydrophobicContact CD1-CG 4.4Å; F337-K548 HydrophobicContact CE1-CB 4.34Å; F337-K548 HydrophobicContact CG-CG 4.41Å; F337-K548 HydrophobicContact CZ-CB 4.35Å; F337-L551 HydrophobicContact CE2-CD1 4.05Å; F337-K552 HydrophobicContact CB-CD 4.14Å; F337-K552 HydrophobicContact CB-CG 4.37Å
338	R	91.3	Very high	87.6	Confident	109 Å²	109	53.4 Å²	53.4	41%	0.411	28%	0.275	S	S	.	.			trans	-91.2	80.5	-177.3	-58.4	-61.3	178.5	172.5	-8.8	110.6	V330 D332 D336 D340 N341 F342	V330-R338 PolarHBondContact O-N 2.94Å; D332-R338 IonicContact OD2-CZ 2.79Å; D332-R338 IonicContact OD2-NE 3.66Å; D332-R338 PolarHBondContact OD2-NE 3.23Å; D332-R338 IonicContact OD2-NH2 3.82Å; D332-R338 PolarHBondContact OD2-NH2 3.31Å; D336-R338 PolarHBondContact O-N 3.28Å; R338-D340 VanDerWaalsContact C-N 3.29Å; R338-D340 PolarHBondContact O-N 3.16Å; R338-N341 HydrophobicContact CB-CB 4.21Å; R338-N341 PolarHBondContact O-N 3.39Å; R338-N341 VanDerWaalsContact O-N 3.16Å; R338-F342 PolarHBondContact O-N 3.39Å; R338-F342 VanDerWaalsContact O-N 3.08Å
339	E	86.2	Confident	86.5	Confident	86 Å²	86	52.6 Å²	52.6	40%	0.402	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-33.7	-174.8	-174.2	160.3	173.9	0	0	113.7	F337 F342 N343	F337-E339 HydrophobicContact CD1-CB 3.98Å; F337-E339 HydrophobicContact CE1-CB 3.69Å; F337-E339 HydrophobicContact CE1-CG 4.03Å; F337-E339 PolarHBondContact O-N 3.17Å; E339-F342 PolarHBondContact O-N 3.31Å; E339-N343 WeakPolarHBondContact CG-ND2 3.5Å; E339-N343 WeakPolarHBondContact O-CB 3.38Å; E339-N343 PolarHBondContact O-N 3.15Å; E339-N343 PolarHBondContact O-ND2 3.46Å; E339-N343 VanDerWaalsContact O-ND2 3.17Å
340	D	83.8	Confident	85	Confident	130 Å²	130	58 Å²	58	70%	0.695	29%	0.289	S	S	*	.	H	α-helix	trans	-61.9	-45.3	175.3	-57.6	-58.3	0	0	0	112.4	R338 N343 T344	R338-D340 VanDerWaalsContact C-N 3.29Å; R338-D340 PolarHBondContact O-N 3.16Å; D340-N343 PolarHBondContact O-N 3.05Å; D340-T344 WeakPolarHBondContact O-CB 3.45Å; D340-T344 PolarHBondContact O-N 2.67Å; D340-T344 PolarHBondContact O-OG1 3.29Å
341	N	89	Confident	83.4	Confident	66 Å²	66	63.1 Å²	63.1	35%	0.353	32%	0.316	S	S	.	.	H	α-helix	trans	-67.9	-36.9	178	-69.5	-14.8	0	0	0	111.3	L329 R338 T344 A345	L329-N341 WeakPolarHBondContact O-CB 3.22Å; L329-N341 PolarHBondContact O-ND2 3.02Å; R338-N341 HydrophobicContact CB-CB 4.21Å; R338-N341 PolarHBondContact O-N 3.39Å; R338-N341 VanDerWaalsContact O-N 3.16Å; N341-T344 PolarHBondContact O-N 2.84Å; N341-A345 PolarHBondContact O-N 3.29Å
342	F	87.3	Confident	81.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-48.3	173.1	-178.9	-85.1	0	0	0	111	I319 V330 F337 R338 E339 T344 A345 M346 M542 P544	I319-F342 HydrophobicContact CD1-CD2 3.67Å; I319-F342 HydrophobicContact CD1-CE2 3.69Å; V330-F342 HydrophobicContact CG1-CB 3.88Å; V330-F342 HydrophobicContact CG1-CD2 4.22Å; F337-F342 HydrophobicContact CE2-CB 4.37Å; F337-F342 HydrophobicContact CE2-CD2 4.02Å; F337-F342 HydrophobicContact CE2-CG 4.31Å; F337-F342 HydrophobicContact CZ-CB 3.88Å; F337-F342 HydrophobicContact CZ-CD1 4.33Å; F337-F342 AromaticContact CZ-CD2 3.87Å; F337-F342 HydrophobicContact CZ-CD2 3.87Å; F337-F342 AromaticContact CZ-CG 3.76Å; F337-F342 HydrophobicContact CZ-CG 3.76Å; R338-F342 PolarHBondContact O-N 3.39Å; R338-F342 VanDerWaalsContact O-N 3.08Å; E339-F342 PolarHBondContact O-N 3.31Å; F342-T344 VanDerWaalsContact C-N 3.31Å; F342-T344 PolarHBondContact O-N 3.49Å; F342-A345 PolarHBondContact O-N 3.34Å; F342-M346 HydrophobicContact CD1-CG 4.06Å; F342-M346 HydrophobicContact CD2-CE 4.4Å; F342-M346 HydrophobicContact CE1-CE 4.35Å; F342-M346 HydrophobicContact CE1-CG 3.68Å; F342-M346 HydrophobicContact CE2-CE 3.86Å; F342-M346 HydrophobicContact CZ-CE 3.83Å; F342-M346 HydrophobicContact CZ-CG 4.09Å; F342-M346 HydrophobicContact CZ-SD 4.45Å; F342-M346 WeakPolarHBondContact O-CG 3.49Å; F342-M346 PolarHBondContact O-N 3.03Å; F342-M542 HydrophobicContact CE2-SD 3.97Å; F342-M542 HydrophobicContact CZ-CB 4Å; F342-M542 HydrophobicContact CZ-CG 4Å; F342-M542 HydrophobicContact CZ-SD 3.96Å; F342-P544 HydrophobicContact CD1-CB 4.44Å; F342-P544 HydrophobicContact CD1-CG 4.28Å; F342-P544 HydrophobicContact CE1-CB 4.3Å; F342-P544 HydrophobicContact CE1-CG 4.1Å
343	N	79.6	Confident	79.7	Confident	56 Å²	56	64.7 Å²	64.7	30%	0.299	34%	0.336	S	S	.	.	H	α-helix	trans	-62.8	-37.5	177.3	-77.9	-39.4	0	0	0	111.9	E339 D340 M346 Q347	E339-N343 WeakPolarHBondContact CG-ND2 3.5Å; E339-N343 WeakPolarHBondContact O-CB 3.38Å; E339-N343 PolarHBondContact O-N 3.15Å; E339-N343 PolarHBondContact O-ND2 3.46Å; E339-N343 VanDerWaalsContact O-ND2 3.17Å; D340-N343 PolarHBondContact O-N 3.05Å; N343-M346 PolarHBondContact O-N 3.08Å; N343-Q347 VanDerWaalsContact O-CG 3.25Å; N343-Q347 WeakPolarHBondContact O-CG 3.4Å; N343-Q347 PolarHBondContact O-N 3.24Å
344	T	84.1	Confident	77.5	Confident	63 Å²	63	64.9 Å²	64.9	39%	0.387	34%	0.34	S	S	.	.	H	α-helix	trans	-62.2	-47.2	172.8	-56.2	0	0	0	0	111.3	D340 N341 F342 M346 Q347 V348	D340-T344 WeakPolarHBondContact O-CB 3.45Å; D340-T344 PolarHBondContact O-N 2.67Å; D340-T344 PolarHBondContact O-OG1 3.29Å; N341-T344 PolarHBondContact O-N 2.84Å; F342-T344 VanDerWaalsContact C-N 3.31Å; F342-T344 PolarHBondContact O-N 3.49Å; T344-M346 VanDerWaalsContact C-N 3.32Å; T344-M346 PolarHBondContact O-N 3.25Å; T344-Q347 WeakPolarHBondContact O-CB 3.36Å; T344-Q347 PolarHBondContact O-N 2.7Å; T344-Q347 VanDerWaalsContact O-N 3.12Å; T344-V348 WeakPolarHBondContact O-CG2 3.41Å; T344-V348 PolarHBondContact O-N 3.07Å
345	A	82.9	Confident	75.3	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-40.3	176.4	0	0	0	0	0	112.5	I319 P321 H328 N341 F342 V348 L349	I319-A345 HydrophobicContact CB-CB 4.42Å; I319-A345 HydrophobicContact CG2-CB 3.93Å; P321-A345 WeakPolarHBondContact CB-O 3.35Å; P321-A345 HydrophobicContact CG-CB 4.44Å; H328-A345 HydrophobicContact CB-CB 3.96Å; N341-A345 PolarHBondContact O-N 3.29Å; F342-A345 PolarHBondContact O-N 3.34Å; A345-V348 PolarHBondContact O-N 3.11Å; A345-L349 PolarHBondContact O-N 3.11Å
346	M	82.3	Confident	73.4	Confident	12 Å²	12	65.2 Å²	65.2	6%	0.059	34%	0.338	C	S	.	.	H	α-helix	trans	-72.1	-26	176.5	-63	-57.1	140.3	0	0	113.3	I319 F342 N343 T344 L349 R350 V538 M542	I319-M346 HydrophobicContact CD1-CE 3.86Å; I319-M346 HydrophobicContact CG2-CE 4.31Å; F342-M346 HydrophobicContact CD1-CG 4.06Å; F342-M346 HydrophobicContact CD2-CE 4.4Å; F342-M346 HydrophobicContact CE1-CE 4.35Å; F342-M346 HydrophobicContact CE1-CG 3.68Å; F342-M346 HydrophobicContact CE2-CE 3.86Å; F342-M346 HydrophobicContact CZ-CE 3.83Å; F342-M346 HydrophobicContact CZ-CG 4.09Å; F342-M346 HydrophobicContact CZ-SD 4.45Å; F342-M346 WeakPolarHBondContact O-CG 3.49Å; F342-M346 PolarHBondContact O-N 3.03Å; N343-M346 PolarHBondContact O-N 3.08Å; T344-M346 VanDerWaalsContact C-N 3.32Å; T344-M346 PolarHBondContact O-N 3.25Å; M346-L349 HydrophobicContact CE-CD1 4.5Å; M346-L349 HydrophobicContact SD-CD1 3.93Å; M346-R350 PolarHBondContact O-N 2.72Å; M346-V538 HydrophobicContact CE-CG1 4.22Å; M346-M542 HydrophobicContact CE-CB 4.04Å; M346-M542 HydrophobicContact SD-CB 3.95Å; M346-M542 PolarHBondContact SD-N 2.9Å; M346-M542 VanDerWaalsContact SD-N 3.37Å
347	Q	73.5	Confident	71.5	Confident	94 Å²	94	65 Å²	65	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-71	-42	169.9	-73.7	172.2	33.8	0	0	111.4	N343 T344 L349 R350 D351	N343-Q347 VanDerWaalsContact O-CG 3.25Å; N343-Q347 WeakPolarHBondContact O-CG 3.4Å; N343-Q347 PolarHBondContact O-N 3.24Å; T344-Q347 WeakPolarHBondContact O-CB 3.36Å; T344-Q347 PolarHBondContact O-N 2.7Å; T344-Q347 VanDerWaalsContact O-N 3.12Å; Q347-L349 VanDerWaalsContact C-N 3.27Å; Q347-L349 PolarHBondContact O-N 3.47Å; Q347-R350 WeakPolarHBondContact O-CB 3.48Å; Q347-R350 PolarHBondContact O-N 2.99Å; Q347-D351 WeakPolarHBondContact O-CB 3.41Å; Q347-D351 VanDerWaalsContact O-CG 3.31Å; Q347-D351 PolarHBondContact O-N 2.87Å
348	V	78.6	Confident	69.1	Low	43 Å²	43	65.8 Å²	65.8	26%	0.261	35%	0.35	S	S	.	.	H	α-helix	trans	-57	-41.1	173.8	174	0	0	0	0	111.2	P321 T344 A345 R350 D351 A352	P321-V348 HydrophobicContact CB-CB 4.21Å; P321-V348 HydrophobicContact CB-CG1 4.04Å; P321-V348 HydrophobicContact CG-CB 4.01Å; P321-V348 HydrophobicContact CG-CG1 3.76Å; T344-V348 WeakPolarHBondContact O-CG2 3.41Å; T344-V348 PolarHBondContact O-N 3.07Å; A345-V348 PolarHBondContact O-N 3.11Å; V348-R350 PolarHBondContact O-N 3.01Å; V348-D351 PolarHBondContact O-N 2.86Å; V348-A352 WeakPolarHBondContact O-CB 3.35Å; V348-A352 PolarHBondContact O-N 2.66Å
349	L	70.8	Confident	66.9	Low	18 Å²	18	62.5 Å²	62.5	9%	0.094	34%	0.341	C	S	.	.	H	α-helix	trans	-62.3	-39	173.4	-85.7	167.8	0	0	0	113.9	P321 A322 A345 M346 Q347 V538	P321-L349 HydrophobicContact CB-CD1 4.26Å; P321-L349 HydrophobicContact CB-CD2 4.38Å; P321-L349 HydrophobicContact CB-CG 3.74Å; A322-L349 HydrophobicContact CB-CD2 4.07Å; A345-L349 PolarHBondContact O-N 3.11Å; M346-L349 HydrophobicContact CE-CD1 4.5Å; M346-L349 HydrophobicContact SD-CD1 3.93Å; Q347-L349 VanDerWaalsContact C-N 3.27Å; Q347-L349 PolarHBondContact O-N 3.47Å; L349-V538 HydrophobicContact CD1-CB 4.22Å; L349-V538 HydrophobicContact CD1-CG1 3.79Å
350	R	63.9	Low	65	Low	157 Å²	157	63.5 Å²	63.5	59%	0.592	35%	0.345	S	S	*	.	H	α-helix	trans	-65.2	-46.7	175.8	-177.7	-165.3	67.3	-156.9	-11.2	110.8	M346 Q347 V348 G353	M346-R350 PolarHBondContact O-N 2.72Å; Q347-R350 WeakPolarHBondContact O-CB 3.48Å; Q347-R350 PolarHBondContact O-N 2.99Å; V348-R350 PolarHBondContact O-N 3.01Å; R350-G353 PolarHBondContact O-N 3.32Å
351	D	61.8	Low	62.9	Low	107 Å²	107	64.7 Å²	64.7	57%	0.572	34%	0.344	S	S	*	.	H	α-helix	trans	-82.6	-25.4	-169.1	-61.5	-20.1	0	0	0	112.3	Q347 V348 G353	Q347-D351 WeakPolarHBondContact O-CB 3.41Å; Q347-D351 VanDerWaalsContact O-CG 3.31Å; Q347-D351 PolarHBondContact O-N 2.87Å; V348-D351 PolarHBondContact O-N 2.86Å; D351-G353 VanDerWaalsContact C-N 3.29Å; D351-G353 PolarHBondContact O-N 3.38Å
352	A	56.7	Low	60.5	Low	19 Å²	19	64 Å²	64	16%	0.157	35%	0.353	C	S	.	.	H	α-helix	trans	-68.8	-21.5	170.6	0	0	0	0	0	113.7	V348 D354 L355 A356	V348-A352 WeakPolarHBondContact O-CB 3.35Å; V348-A352 PolarHBondContact O-N 2.66Å; A352-D354 PolarHBondContact O-N 2.77Å; A352-L355 WeakPolarHBondContact O-CA 3.42Å; A352-L355 WeakPolarHBondContact O-CB 3.3Å; A352-L355 PolarHBondContact O-N 3.34Å; A352-A356 HydrophobicContact CB-CB 4.15Å; A352-A356 PolarHBondContact O-N 3.15Å
353	G	53.7	Low	58.4	Low	38 Å²	38	72.3 Å²	72.3	39%	0.392	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	-106.2	168.8	0	0	0	0	0	115.6	R350 D351	R350-G353 PolarHBondContact O-N 3.32Å; D351-G353 VanDerWaalsContact C-N 3.29Å; D351-G353 PolarHBondContact O-N 3.38Å
354	D	45.1	Very low	56.2	Low	90 Å²	90	80 Å²	80	48%	0.481	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-8.8	176.7	-81.3	-47	0	0	0	113.4	A352 K357 K722	A352-D354 PolarHBondContact O-N 2.77Å; D354-K357 VanDerWaalsContact OD1-CE 3.22Å; D354-K357 WeakPolarHBondContact OD1-CE 3.27Å; D354-K357 IonicContact OD1-NZ 2.69Å; D354-K357 PolarHBondContact OD1-NZ 3.13Å; D354-K722 IonicContact OD2-NZ 3.17Å
355	L	42.1	Very low	53.6	Low	150 Å²	150	79.3 Å²	79.3	79%	0.785	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-80.5	-18.8	173.5	-69.4	165.5	0	0	0	113	A352 K357	A352-L355 WeakPolarHBondContact O-CA 3.42Å; A352-L355 WeakPolarHBondContact O-CB 3.3Å; A352-L355 PolarHBondContact O-N 3.34Å; L355-K357 PolarHBondContact O-N 2.84Å
356	A	46.6	Very low	51.3	Low	17 Å²	17	83.4 Å²	83.4	14%	0.14	46%	0.462	C	S	.	.	G	3₁₀ helix	trans	-51.7	-24.7	169.5	0	0	0	0	0	113.7	A322 A352 G358	A322-A356 HydrophobicContact CB-CB 4.48Å; A322-A356 VanDerWaalsContact O-CA 3.32Å; A322-A356 WeakPolarHBondContact O-CA 3.43Å; A322-A356 VanDerWaalsContact O-CB 3.25Å; A322-A356 WeakPolarHBondContact O-CB 3.36Å; A352-A356 HydrophobicContact CB-CB 4.15Å; A352-A356 PolarHBondContact O-N 3.15Å; A356-G358 VanDerWaalsContact C-N 3.25Å; A356-G358 PolarHBondContact O-N 3.46Å; A356-G358 VanDerWaalsContact O-N 3.1Å
357	K	50.8	Low	48.8	Very low	79 Å²	79	86.1 Å²	86.1	34%	0.343	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-80	20.3	-169	-60.4	176.7	166.8	176.3	0	115.7	D354 L355 D359 Q360	D354-K357 VanDerWaalsContact OD1-CE 3.22Å; D354-K357 WeakPolarHBondContact OD1-CE 3.27Å; D354-K357 IonicContact OD1-NZ 2.69Å; D354-K357 PolarHBondContact OD1-NZ 3.13Å; L355-K357 PolarHBondContact O-N 2.84Å; K357-D359 VanDerWaalsContact C-N 3.28Å; K357-D359 PolarHBondContact O-N 3.24Å; K357-D359 VanDerWaalsContact O-N 3.11Å; K357-Q360 PolarHBondContact O-N 3.15Å
358	G	41.5	Very low	47	Very low	47 Å²	47	92.2 Å²	92.2	49%	0.485	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-41.9	-168.9	0	0	0	0	0	115.4	A356	A356-G358 VanDerWaalsContact C-N 3.25Å; A356-G358 PolarHBondContact O-N 3.46Å; A356-G358 VanDerWaalsContact O-N 3.1Å
359	D	45.2	Very low	45.5	Very low	41 Å²	41	93 Å²	93	22%	0.219	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-25	-170	-65.1	19.7	0	0	0	113.2	K357 S371 N372	K357-D359 VanDerWaalsContact C-N 3.28Å; K357-D359 PolarHBondContact O-N 3.24Å; K357-D359 VanDerWaalsContact O-N 3.11Å; D359-S371 WeakPolarHBondContact OD1-CA 3.23Å; D359-S371 WeakPolarHBondContact OD2-CB 3.47Å; D359-N372 WeakPolarHBondContact OD1-CB 3.31Å; D359-N372 VanDerWaalsContact OD1-CG 3.3Å; D359-N372 PolarHBondContact OD1-N 2.71Å; D359-N372 PolarHBondContact OD1-ND2 3.39Å; D359-N372 PolarHBondContact OD2-N 2.86Å
360	Q	46.9	Very low	44.9	Very low	107 Å²	107	95.7 Å²	95.7	50%	0.5	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-89.7	-12.1	-160.2	-66.9	174.5	7.5	0	0	113.9	K357 G362 D539	K357-Q360 PolarHBondContact O-N 3.15Å; Q360-G362 VanDerWaalsContact C-N 3.28Å; Q360-G362 PolarHBondContact O-N 2.89Å; Q360-D539 PolarHBondContact NE2-OD2 3.5Å; Q360-D539 VanDerWaalsContact NE2-OD2 3.15Å
361	K	37.8	Very low	45.2	Very low	155 Å²	155	88.6 Å²	88.6	67%	0.674	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-72.5	-14.5	173.6	-90.1	-172.5	174.4	178.9	0	114.4	R363 T367	K361-R363 VanDerWaalsContact C-N 3.25Å; K361-R363 PolarHBondContact O-N 3.08Å; K361-T367 HydrophobicContact CB-CG2 3.61Å; K361-T367 WeakPolarHBondContact CB-OG1 3.46Å; K361-T367 HydrophobicContact CD-CG2 3.77Å; K361-T367 HydrophobicContact CG-CG2 4.33Å
362	G	38.8	Very low	46	Very low	51 Å²	51	83.8 Å²	83.8	53%	0.526	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-61.7	-24.6	-174.9	0	0	0	0	0	115.5	Q360 K364	Q360-G362 VanDerWaalsContact C-N 3.28Å; Q360-G362 PolarHBondContact O-N 2.89Å; G362-K364 PolarHBondContact O-N 3.29Å
363	R	44.3	Very low	47.4	Very low	175 Å²	175	82.9 Å²	82.9	66%	0.66	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-72.3	-12.1	-169	-83.8	-175	170.3	163.9	2.3	116.7	K361 D397	K361-R363 VanDerWaalsContact C-N 3.25Å; K361-R363 PolarHBondContact O-N 3.08Å; R363-D397 IonicContact CZ-OD1 2.87Å; R363-D397 IonicContact NH2-OD1 2.69Å; R363-D397 PolarHBondContact NH2-OD1 3.1Å
364	K	33.2	Very low	49.1	Very low	218 Å²	218	82.3 Å²	82.3	95%	0.948	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.9	6.6	-177.9	-111.9	172	-171.8	173	0	117.6	G362	G362-K364 PolarHBondContact O-N 3.29Å
365	G	30.1	Very low	51.2	Low	48 Å²	48	82.2 Å²	82.2	50%	0.495	46%	0.463	S	S	.	.	S	Bend	trans	178	132.5	176	0	0	0	0	0	111.4	T367	G365-T367 PolarHBondContact O-N 2.92Å; G365-T367 VanDerWaalsContact O-N 3.16Å
366	G	34	Very low	53.6	Low	86 Å²	86	75.2 Å²	75.2	89%	0.887	43%	0.427	S	S	*	.			trans	-58.4	115.5	-165.7	0	0	0	0	0	114.5
367	T	29.8	Very low	55.8	Low	69 Å²	69	74.4 Å²	74.4	42%	0.423	42%	0.42	S	S	.	.			trans	-96.1	132.7	167.4	14.2	0	0	0	0	110	K361 G365 G369	K361-T367 HydrophobicContact CB-CG2 3.61Å; K361-T367 WeakPolarHBondContact CB-OG1 3.46Å; K361-T367 HydrophobicContact CD-CG2 3.77Å; K361-T367 HydrophobicContact CG-CG2 4.33Å; G365-T367 PolarHBondContact O-N 2.92Å; G365-T367 VanDerWaalsContact O-N 3.16Å; T367-G369 PolarHBondContact O-N 3.45Å; T367-G369 VanDerWaalsContact O-N 3.16Å
368	K	35.8	Very low	57.8	Low	222 Å²	222	74.3 Å²	74.3	97%	0.965	42%	0.419	S	S	*	.	S	Bend	trans	-83.9	84.2	-178.7	-66.8	-178	178.1	-178.7	0	110.8
369	G	47.4	Very low	60.2	Low	58 Å²	58	74 Å²	74	60%	0.598	41%	0.406	S	S	*	.	S	Bend	trans	-175.3	156.9	172.3	0	0	0	0	0	114.1	T367	T367-G369 PolarHBondContact O-N 3.45Å; T367-G369 VanDerWaalsContact O-N 3.16Å
370	P	56.5	Low	62.6	Low	75 Å²	75	72 Å²	72	49%	0.487	40%	0.395	S	S	.	.			trans	-77.6	147.5	166.6	32.7	-32.9	0	0	0	111.1	F374	P370-F374 HydrophobicContact CB-CB 4.41Å; P370-F374 HydrophobicContact CB-CD1 3.56Å; P370-F374 HydrophobicContact CB-CE1 4.09Å; P370-F374 HydrophobicContact CB-CG 4.17Å
371	S	70.3	Confident	64.8	Low	9 Å²	9	68.8 Å²	68.8	6%	0.063	38%	0.38	C	S	.	.			trans	-69.7	159.3	177.1	50.8	0	0	0	0	112.9	D359 V373 F374 K375 Q404	D359-S371 WeakPolarHBondContact OD1-CA 3.23Å; D359-S371 WeakPolarHBondContact OD2-CB 3.47Å; S371-V373 VanDerWaalsContact C-N 3.3Å; S371-V373 PolarHBondContact O-N 3.33Å; S371-F374 WeakPolarHBondContact O-CA 3.37Å; S371-F374 WeakPolarHBondContact O-CB 3.4Å; S371-F374 PolarHBondContact O-N 2.81Å; S371-F374 VanDerWaalsContact O-N 3.1Å; S371-F374 VanDerWaalsContact OG-CB 3.3Å; S371-F374 WeakPolarHBondContact OG-CB 3.33Å; S371-F374 PolarHBondContact OG-N 3.29Å; S371-K375 WeakPolarHBondContact O-CG 3.48Å; S371-K375 PolarHBondContact O-N 2.83Å; S371-Q404 PolarHBondContact OG-OE1 3.42Å
372	N	79.3	Confident	67.4	Low	5 Å²	5	67.6 Å²	67.6	3%	0.027	38%	0.377	C	S	.	.	H	α-helix	trans	-62.3	-38.5	173.9	-66.3	-29	0	0	0	110.9	F320 D359 F374 K375 I376 M537	F320-N372 HydrophobicContact CE1-CB 3.85Å; F320-N372 HydrophobicContact CZ-CB 4.37Å; D359-N372 WeakPolarHBondContact OD1-CB 3.31Å; D359-N372 VanDerWaalsContact OD1-CG 3.3Å; D359-N372 PolarHBondContact OD1-N 2.71Å; D359-N372 PolarHBondContact OD1-ND2 3.39Å; D359-N372 PolarHBondContact OD2-N 2.86Å; N372-F374 VanDerWaalsContact C-N 3.32Å; N372-F374 PolarHBondContact O-N 2.81Å; N372-K375 PolarHBondContact O-N 3.45Å; N372-K375 PolarHBondContact OD1-NZ 2.88Å; N372-I376 WeakPolarHBondContact O-CD1 3.4Å; N372-I376 VanDerWaalsContact O-CG1 3.24Å; N372-I376 WeakPolarHBondContact O-CG1 3.26Å; N372-I376 PolarHBondContact O-N 2.78Å; N372-M537 HydrophobicContact CB-CE 3.82Å
373	V	87	Confident	70	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-57.4	-45.3	170.2	-177.5	0	0	0	0	110.9	S371 I376 V377 Y401 M405 F479 L496 T498 M537	S371-V373 VanDerWaalsContact C-N 3.3Å; S371-V373 PolarHBondContact O-N 3.33Å; V373-I376 PolarHBondContact O-N 2.82Å; V373-V377 HydrophobicContact CG1-CG2 4.31Å; V373-V377 WeakPolarHBondContact O-CB 3.35Å; V373-V377 WeakPolarHBondContact O-CG2 3.43Å; V373-V377 PolarHBondContact O-N 3.09Å; V373-Y401 HydrophobicContact CB-CD1 3.93Å; V373-Y401 HydrophobicContact CB-CE1 4.12Å; V373-Y401 HydrophobicContact CG1-CD1 4.08Å; V373-Y401 HydrophobicContact CG1-CG 4.26Å; V373-Y401 HydrophobicContact CG2-CD1 3.77Å; V373-Y401 HydrophobicContact CG2-CE1 3.49Å; V373-Y401 VanDerWaalsContact CG2-CE1 3.49Å; V373-Y401 HydrophobicContact CG2-CE2 4.5Å; V373-Y401 HydrophobicContact CG2-CG 4.4Å; V373-M405 HydrophobicContact CB-CE 4.47Å; V373-M405 HydrophobicContact CG1-CE 3.95Å; V373-F479 HydrophobicContact CG1-CE1 4.13Å; V373-L496 HydrophobicContact CG1-CD2 4.49Å; V373-T498 HydrophobicContact CG2-CG2 4.18Å; V373-M537 HydrophobicContact CG2-CE 3.85Å; V373-M537 HydrophobicContact CG2-SD 3.78Å
374	F	89.8	Confident	72.4	Confident	26 Å²	26	68.5 Å²	68.5	11%	0.114	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-41	176.8	-176.3	-82.7	0	0	0	112.6	P370 S371 N372 K378 Q404 M405 K407 L408	P370-F374 HydrophobicContact CB-CB 4.41Å; P370-F374 HydrophobicContact CB-CD1 3.56Å; P370-F374 HydrophobicContact CB-CE1 4.09Å; P370-F374 HydrophobicContact CB-CG 4.17Å; S371-F374 WeakPolarHBondContact O-CA 3.37Å; S371-F374 WeakPolarHBondContact O-CB 3.4Å; S371-F374 PolarHBondContact O-N 2.81Å; S371-F374 VanDerWaalsContact O-N 3.1Å; S371-F374 VanDerWaalsContact OG-CB 3.3Å; S371-F374 WeakPolarHBondContact OG-CB 3.33Å; S371-F374 PolarHBondContact OG-N 3.29Å; N372-F374 VanDerWaalsContact C-N 3.32Å; N372-F374 PolarHBondContact O-N 2.81Å; F374-K378 HydrophobicContact CE1-CD 4.22Å; F374-K378 WeakPolarHBondContact O-CB 3.48Å; F374-K378 PolarHBondContact O-N 3.17Å; F374-Q404 WeakPolarHBondContact CD2-O 3.49Å; F374-Q404 WeakPolarHBondContact CE2-O 3.48Å; F374-M405 HydrophobicContact CB-CE 3.93Å; F374-M405 HydrophobicContact CB-SD 4.23Å; F374-M405 HydrophobicContact CD2-CE 4.2Å; F374-M405 HydrophobicContact CD2-SD 3.75Å; F374-M405 HydrophobicContact CG-SD 4.32Å; F374-K407 HydrophobicContact CE2-CB 4.2Å; F374-K407 HydrophobicContact CE2-CD 4.46Å; F374-K407 HydrophobicContact CZ-CB 4.46Å; F374-L408 HydrophobicContact CD2-CD1 4.44Å; F374-L408 HydrophobicContact CE1-CD1 4.31Å; F374-L408 HydrophobicContact CE2-CD1 3.75Å; F374-L408 HydrophobicContact CE2-CG 3.8Å; F374-L408 HydrophobicContact CZ-CD1 3.69Å; F374-L408 HydrophobicContact CZ-CD2 3.94Å; F374-L408 HydrophobicContact CZ-CG 3.69Å
375	K	88.5	Confident	75.3	Confident	88 Å²	88	59.9 Å²	59.9	38%	0.383	33%	0.334	S	S	.	.	H	α-helix	trans	-59.8	-47.1	174.4	-65.4	172.6	-164.6	167.6	0	111.4	S371 N372 M379	S371-K375 WeakPolarHBondContact O-CG 3.48Å; S371-K375 PolarHBondContact O-N 2.83Å; N372-K375 PolarHBondContact O-N 3.45Å; N372-K375 PolarHBondContact OD1-NZ 2.88Å; K375-M379 WeakPolarHBondContact O-CB 3.09Å; K375-M379 PolarHBondContact O-N 3.37Å
376	I	91.8	Very high	78.2	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-66.9	-48.5	-178	-64.2	160.5	0	0	0	110.4	F320 N372 V373 K378 M379 I380 L496 I535 M537	F320-I376 HydrophobicContact CB-CD1 4.12Å; F320-I376 HydrophobicContact CD1-CD1 3.76Å; F320-I376 HydrophobicContact CD2-CD1 3.95Å; F320-I376 HydrophobicContact CD2-CG1 4.03Å; F320-I376 HydrophobicContact CE1-CD1 4.18Å; F320-I376 HydrophobicContact CE2-CD1 4.35Å; F320-I376 HydrophobicContact CE2-CG1 4.19Å; F320-I376 HydrophobicContact CG-CD1 3.64Å; F320-I376 HydrophobicContact CG-CG1 4.24Å; F320-I376 HydrophobicContact CZ-CD1 4.45Å; N372-I376 WeakPolarHBondContact O-CD1 3.4Å; N372-I376 VanDerWaalsContact O-CG1 3.24Å; N372-I376 WeakPolarHBondContact O-CG1 3.26Å; N372-I376 PolarHBondContact O-N 2.78Å; V373-I376 PolarHBondContact O-N 2.82Å; I376-K378 VanDerWaalsContact C-N 3.34Å; I376-K378 PolarHBondContact O-N 2.83Å; I376-M379 PolarHBondContact O-N 3.38Å; I376-I380 HydrophobicContact CG2-CD1 3.85Å; I376-I380 HydrophobicContact CG2-CG1 4.38Å; I376-I380 WeakPolarHBondContact O-CB 3.37Å; I376-I380 VanDerWaalsContact O-CG1 3.3Å; I376-I380 WeakPolarHBondContact O-CG1 3.39Å; I376-I380 PolarHBondContact O-N 3.08Å; I376-L496 HydrophobicContact CB-CD2 4.39Å; I376-L496 HydrophobicContact CD1-CD1 4.32Å; I376-L496 HydrophobicContact CG2-CD1 3.98Å; I376-L496 HydrophobicContact CG2-CD2 3.87Å; I376-I535 HydrophobicContact CG2-CD1 4.03Å; I376-M537 HydrophobicContact CD1-CE 3.94Å; I376-M537 HydrophobicContact CD1-CG 3.76Å; I376-M537 HydrophobicContact CD1-SD 3.58Å; I376-M537 VanDerWaalsContact CD1-SD 3.58Å
377	V	92.8	Very high	81.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-42.5	177.9	173.4	0	0	0	0	111	V373 M379 I380 M381 I390 M405 F410 A477 F479 L496	V373-V377 HydrophobicContact CG1-CG2 4.31Å; V373-V377 WeakPolarHBondContact O-CB 3.35Å; V373-V377 WeakPolarHBondContact O-CG2 3.43Å; V373-V377 PolarHBondContact O-N 3.09Å; V377-M379 PolarHBondContact O-N 3.17Å; V377-I380 WeakPolarHBondContact O-CB 3.13Å; V377-I380 PolarHBondContact O-N 2.76Å; V377-M381 HydrophobicContact CG1-CE 4.33Å; V377-M381 WeakPolarHBondContact O-CG 3.25Å; V377-M381 PolarHBondContact O-N 2.95Å; V377-M381 VanDerWaalsContact O-N 3.08Å; V377-I390 HydrophobicContact CG2-CD1 4.44Å; V377-I390 HydrophobicContact CG2-CG1 4.19Å; V377-M405 HydrophobicContact CB-SD 4Å; V377-M405 HydrophobicContact CG1-SD 4.03Å; V377-M405 HydrophobicContact CG2-SD 4.33Å; V377-F410 HydrophobicContact CG1-CE2 4.47Å; V377-F410 HydrophobicContact CG1-CZ 4.08Å; V377-A477 HydrophobicContact CG1-CB 4.39Å; V377-F479 HydrophobicContact CG2-CZ 4.37Å; V377-L496 HydrophobicContact CG2-CD2 4.21Å
378	K	92.3	Very high	84.4	Confident	77 Å²	77	53.1 Å²	53.1	34%	0.335	26%	0.263	S	S	.	.	H	α-helix	trans	-60.2	-46.4	174.6	-175.5	173.5	176.8	-69.9	0	112	F374 I376 I380 M381 E382 L408	F374-K378 HydrophobicContact CE1-CD 4.22Å; F374-K378 WeakPolarHBondContact O-CB 3.48Å; F374-K378 PolarHBondContact O-N 3.17Å; I376-K378 VanDerWaalsContact C-N 3.34Å; I376-K378 PolarHBondContact O-N 2.83Å; K378-I380 VanDerWaalsContact C-N 3.33Å; K378-I380 PolarHBondContact O-N 3.27Å; K378-M381 PolarHBondContact O-N 2.79Å; K378-E382 HydrophobicContact CG-CG 4.49Å; K378-E382 IonicContact NZ-OE1 3.93Å; K378-E382 PolarHBondContact NZ-OE1 2.9Å; K378-E382 IonicContact NZ-OE2 2.95Å; K378-E382 PolarHBondContact NZ-OE2 2.85Å; K378-E382 VanDerWaalsContact NZ-OE2 3.13Å; K378-E382 WeakPolarHBondContact O-CB 3.2Å; K378-E382 WeakPolarHBondContact O-CG 3.3Å; K378-E382 PolarHBondContact O-N 2.9Å; K378-L408 HydrophobicContact CB-CD1 4.15Å; K378-L408 HydrophobicContact CG-CD1 4.37Å
379	M	92.9	Very high	87.3	Confident	39 Å²	39	42.6 Å²	42.6	19%	0.192	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-35.7	176.3	-179.7	-135.7	61.7	0	0	112.6	L327 K375 I376 V377 R383	L327-M379 HydrophobicContact CD1-CE 3.8Å; L327-M379 HydrophobicContact CD1-SD 4Å; K375-M379 WeakPolarHBondContact O-CB 3.09Å; K375-M379 PolarHBondContact O-N 3.37Å; I376-M379 PolarHBondContact O-N 3.38Å; V377-M379 PolarHBondContact O-N 3.17Å; M379-R383 WeakPolarHBondContact O-CB 3.44Å; M379-R383 WeakPolarHBondContact O-CG 3.47Å; M379-R383 PolarHBondContact O-N 3.24Å
380	I	94.8	Very high	89.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-46.6	174	-76.4	169.7	0	0	0	110.4	I376 V377 K378 R383 N384 F385 V388 T494 I535	I376-I380 HydrophobicContact CG2-CD1 3.85Å; I376-I380 HydrophobicContact CG2-CG1 4.38Å; I376-I380 WeakPolarHBondContact O-CB 3.37Å; I376-I380 VanDerWaalsContact O-CG1 3.3Å; I376-I380 WeakPolarHBondContact O-CG1 3.39Å; I376-I380 PolarHBondContact O-N 3.08Å; V377-I380 WeakPolarHBondContact O-CB 3.13Å; V377-I380 PolarHBondContact O-N 2.76Å; K378-I380 VanDerWaalsContact C-N 3.33Å; K378-I380 PolarHBondContact O-N 3.27Å; I380-R383 PolarHBondContact O-N 2.91Å; I380-N384 PolarHBondContact O-N 3.43Å; I380-F385 HydrophobicContact CB-CB 4.31Å; I380-F385 HydrophobicContact CG1-CB 4.46Å; I380-F385 HydrophobicContact CG2-CB 3.85Å; I380-F385 PolarHBondContact O-N 2.95Å; I380-V388 HydrophobicContact CD1-CB 4.4Å; I380-V388 HydrophobicContact CD1-CG2 3.92Å; I380-V388 HydrophobicContact CG2-CB 4.03Å; I380-V388 HydrophobicContact CG2-CG1 3.93Å; I380-T494 HydrophobicContact CD1-CG2 3.84Å; I380-T494 HydrophobicContact CG1-CG2 4.43Å; I380-I535 HydrophobicContact CD1-CD1 4.06Å; I380-I535 HydrophobicContact CG1-CD1 4.38Å
381	M	93.9	Very high	91.6	Very high	39 Å²	39	36.3 Å²	36.3	19%	0.192	17%	0.165	C	C	.	.	H	α-helix	trans	-66.2	-45.8	177.4	-59.5	-57.1	176.4	0	0	111.8	V377 K378 R383 N384 Q386 V388 F410 K476 A477	V377-M381 HydrophobicContact CG1-CE 4.33Å; V377-M381 WeakPolarHBondContact O-CG 3.25Å; V377-M381 PolarHBondContact O-N 2.95Å; V377-M381 VanDerWaalsContact O-N 3.08Å; K378-M381 PolarHBondContact O-N 2.79Å; M381-R383 PolarHBondContact O-N 3.22Å; M381-R383 VanDerWaalsContact O-N 3.17Å; M381-N384 PolarHBondContact O-N 3.49Å; M381-Q386 HydrophobicContact SD-CB 3.81Å; M381-Q386 HydrophobicContact SD-CG 4.42Å; M381-V388 HydrophobicContact CE-CG1 4.18Å; M381-F410 HydrophobicContact CB-CD1 4.48Å; M381-F410 HydrophobicContact CB-CE1 4.41Å; M381-F410 HydrophobicContact CE-CD1 4.3Å; M381-F410 HydrophobicContact CE-CD2 3.91Å; M381-F410 HydrophobicContact CE-CE1 4.34Å; M381-F410 HydrophobicContact CE-CE2 3.96Å; M381-F410 HydrophobicContact CE-CG 4.08Å; M381-F410 HydrophobicContact CE-CZ 4.17Å; M381-F410 HydrophobicContact CG-CD1 3.77Å; M381-F410 HydrophobicContact CG-CE1 3.61Å; M381-F410 HydrophobicContact CG-CG 4.43Å; M381-F410 HydrophobicContact CG-CZ 4.16Å; M381-F410 HydrophobicContact SD-CD1 4.29Å; M381-F410 HydrophobicContact SD-CG 4.42Å; M381-K476 HydrophobicContact CE-CB 3.63Å; M381-K476 HydrophobicContact SD-CB 4.05Å; M381-A477 HydrophobicContact CE-CB 3.75Å
382	E	92.9	Very high	92.6	Very high	131 Å²	131	36 Å²	36	61%	0.612	16%	0.163	S	C	*	.	H	α-helix	trans	-61.8	-22.8	178	-72.6	176.6	145	0	0	113.6	K378	K378-E382 HydrophobicContact CG-CG 4.49Å; K378-E382 IonicContact NZ-OE1 3.93Å; K378-E382 PolarHBondContact NZ-OE1 2.9Å; K378-E382 IonicContact NZ-OE2 2.95Å; K378-E382 PolarHBondContact NZ-OE2 2.85Å; K378-E382 VanDerWaalsContact NZ-OE2 3.13Å; K378-E382 WeakPolarHBondContact O-CB 3.2Å; K378-E382 WeakPolarHBondContact O-CG 3.3Å; K378-E382 PolarHBondContact O-N 2.9Å
383	R	92.9	Very high	93	Very high	153 Å²	153	38.3 Å²	38.3	58%	0.577	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	7.4	175.5	-66.3	-176.9	176.8	-158	-1.1	114	M379 I380 M381 F385	M379-R383 WeakPolarHBondContact O-CB 3.44Å; M379-R383 WeakPolarHBondContact O-CG 3.47Å; M379-R383 PolarHBondContact O-N 3.24Å; I380-R383 PolarHBondContact O-N 2.91Å; M381-R383 PolarHBondContact O-N 3.22Å; M381-R383 VanDerWaalsContact O-N 3.17Å; R383-F385 HydrophobicContact CB-CD1 4.03Å; R383-F385 HydrophobicContact CB-CD2 3.85Å; R383-F385 HydrophobicContact CB-CE1 4.01Å; R383-F385 HydrophobicContact CB-CE2 3.84Å; R383-F385 HydrophobicContact CB-CG 3.96Å; R383-F385 HydrophobicContact CB-CZ 3.92Å; R383-F385 HydrophobicContact CG-CE2 4.44Å; R383-F385 VanDerWaalsContact O-CD1 3.23Å; R383-F385 WeakPolarHBondContact O-CD1 3.49Å; R383-F385 PolarHBondContact O-N 3.36Å
384	N	93.6	Very high	93	Very high	91 Å²	91	40 Å²	40	49%	0.487	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	36.4	-175.3	-165.5	19	0	0	0	113.5	I380 M381 Q386 R493	I380-N384 PolarHBondContact O-N 3.43Å; M381-N384 PolarHBondContact O-N 3.49Å; N384-Q386 PolarHBondContact O-N 3.36Å; N384-Q386 PolarHBondContact OD1-NE2 3.11Å; N384-R493 PolarHBondContact O-NH1 3.25Å
385	F	95.1	Very high	93	Very high	38 Å²	38	40.8 Å²	40.8	17%	0.167	19%	0.189	C	C	.	.			trans	-86.2	16.2	176	-66.7	-13.7	0	0	0	112.6	I380 R383 T494 I533	I380-F385 HydrophobicContact CB-CB 4.31Å; I380-F385 HydrophobicContact CG1-CB 4.46Å; I380-F385 HydrophobicContact CG2-CB 3.85Å; I380-F385 PolarHBondContact O-N 2.95Å; R383-F385 HydrophobicContact CB-CD1 4.03Å; R383-F385 HydrophobicContact CB-CD2 3.85Å; R383-F385 HydrophobicContact CB-CE1 4.01Å; R383-F385 HydrophobicContact CB-CE2 3.84Å; R383-F385 HydrophobicContact CB-CG 3.96Å; R383-F385 HydrophobicContact CB-CZ 3.92Å; R383-F385 HydrophobicContact CG-CE2 4.44Å; R383-F385 VanDerWaalsContact O-CD1 3.23Å; R383-F385 WeakPolarHBondContact O-CD1 3.49Å; R383-F385 PolarHBondContact O-N 3.36Å; F385-T494 WeakPolarHBondContact O-CB 3.4Å; F385-T494 PolarHBondContact O-OG1 3.48Å; F385-I533 HydrophobicContact CB-CD1 4.31Å; F385-I533 HydrophobicContact CD1-CD1 3.67Å; F385-I533 HydrophobicContact CD2-CD1 3.59Å; F385-I533 HydrophobicContact CE1-CD1 3.73Å; F385-I533 HydrophobicContact CE2-CD1 3.65Å; F385-I533 HydrophobicContact CG-CD1 3.61Å; F385-I533 HydrophobicContact CZ-CD1 3.72Å
386	Q	91.4	Very high	93	Very high	53 Å²	53	43.1 Å²	43.1	25%	0.248	20%	0.199	C	C	.	.			trans	-79.2	157.3	175.6	60.8	74	32.4	0	0	112.3	M381 N384 K476 R493	M381-Q386 HydrophobicContact SD-CB 3.81Å; M381-Q386 HydrophobicContact SD-CG 4.42Å; N384-Q386 PolarHBondContact O-N 3.36Å; N384-Q386 PolarHBondContact OD1-NE2 3.11Å; Q386-K476 HydrophobicContact CB-CB 4.45Å; Q386-R493 WeakPolarHBondContact O-CB 3.44Å; Q386-R493 WeakPolarHBondContact O-CD 3.28Å
387	P	96.1	Very high	92.8	Very high	8 Å²	8	45 Å²	45	5%	0.052	21%	0.209	C	C	.	.	S	Bend	cis	-72.5	155.1	-8	30.9	-34.8	0	0	0	111.9	F470 K476 A492 R493 T494	P387-F470 HydrophobicContact CB-CE2 4Å; P387-F470 HydrophobicContact CB-CZ 4.18Å; P387-F470 HydrophobicContact CG-CZ 4.44Å; P387-K476 CarbonylContact C-O 3.6Å; P387-K476 WeakPolarHBondContact CA-O 3.37Å; P387-A492 HydrophobicContact CG-CB 4.43Å; P387-R493 PolarHBondContact O-N 2.94Å; P387-T494 PolarHBondContact O-N 2.8Å; P387-T494 VanDerWaalsContact O-N 3.09Å
388	V	97.3	Very high	92.7	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.1	177.8	55.4	0	0	0	0	112.2	I380 M381 I390 K476 A477 L478 T494 L496	I380-V388 HydrophobicContact CD1-CB 4.4Å; I380-V388 HydrophobicContact CD1-CG2 3.92Å; I380-V388 HydrophobicContact CG2-CB 4.03Å; I380-V388 HydrophobicContact CG2-CG1 3.93Å; M381-V388 HydrophobicContact CE-CG1 4.18Å; V388-I390 HydrophobicContact CG1-CD1 3.94Å; V388-I390 HydrophobicContact CG2-CD1 4.07Å; V388-I390 HydrophobicContact CG2-CG1 4.15Å; V388-K476 WeakPolarHBondContact CG1-O 3.37Å; V388-K476 PolarHBondContact N-O 3.16Å; V388-A477 HydrophobicContact CG1-CB 3.97Å; V388-A477 WeakPolarHBondContact O-CA 3.48Å; V388-L478 PolarHBondContact O-N 3.24Å; V388-T494 VanDerWaalsContact CA-O 3.3Å; V388-T494 WeakPolarHBondContact CA-O 3.43Å; V388-T494 HydrophobicContact CG2-CG2 4.02Å; V388-L496 HydrophobicContact CG2-CB 4.24Å
389	I	97.1	Very high	92.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.8	165.4	-60.7	158.7	0	0	0	108.5	F391 F470 L478 A480 F484 A492 T494 V495 L496 R522	I389-F391 HydrophobicContact CB-CE2 4.47Å; I389-F391 HydrophobicContact CG2-CD1 4.22Å; I389-F391 HydrophobicContact CG2-CD2 4.08Å; I389-F391 HydrophobicContact CG2-CE1 3.85Å; I389-F391 HydrophobicContact CG2-CE2 3.69Å; I389-F391 HydrophobicContact CG2-CG 4.32Å; I389-F391 HydrophobicContact CG2-CZ 3.55Å; I389-F470 HydrophobicContact CD1-CZ 4.29Å; I389-F470 HydrophobicContact CG1-CE1 4.49Å; I389-F470 HydrophobicContact CG1-CE2 4.5Å; I389-F470 HydrophobicContact CG1-CZ 3.86Å; I389-L478 CarbonylContact C-O 3.56Å; I389-L478 WeakPolarHBondContact CA-O 3.11Å; I389-A480 HydrophobicContact CG2-CB 3.99Å; I389-F484 HydrophobicContact CD1-CD1 4.33Å; I389-F484 HydrophobicContact CD1-CE1 3.78Å; I389-F484 HydrophobicContact CG1-CE1 4.2Å; I389-F484 HydrophobicContact CG2-CD1 4.39Å; I389-A492 HydrophobicContact CD1-CB 3.57Å; I389-A492 HydrophobicContact CG1-CB 3.72Å; I389-T494 PolarHBondContact N-O 3.35Å; I389-V495 CarbonylContact O-C 3.55Å; I389-V495 WeakPolarHBondContact O-CA 3.17Å; I389-L496 PolarHBondContact O-N 3.15Å; I389-R522 HydrophobicContact CD1-CB 4.07Å
390	I	96.9	Very high	92.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	100.2	177.8	-54.4	88	0	0	0	108.9	V377 V388 A477 L478 F479 A480 L496 T498	V377-I390 HydrophobicContact CG2-CD1 4.44Å; V377-I390 HydrophobicContact CG2-CG1 4.19Å; V388-I390 HydrophobicContact CG1-CD1 3.94Å; V388-I390 HydrophobicContact CG2-CD1 4.07Å; V388-I390 HydrophobicContact CG2-CG1 4.15Å; I390-A477 HydrophobicContact CD1-CB 4.05Å; I390-L478 PolarHBondContact N-O 2.89Å; I390-F479 HydrophobicContact CB-CD1 3.68Å; I390-F479 HydrophobicContact CB-CE1 3.79Å; I390-F479 HydrophobicContact CB-CG 4.35Å; I390-F479 HydrophobicContact CD1-CD1 4.27Å; I390-F479 HydrophobicContact CD1-CD2 4.32Å; I390-F479 HydrophobicContact CD1-CE1 4Å; I390-F479 HydrophobicContact CD1-CE2 4.05Å; I390-F479 HydrophobicContact CD1-CG 4.41Å; I390-F479 HydrophobicContact CD1-CZ 3.87Å; I390-F479 HydrophobicContact CG1-CD1 4.16Å; I390-F479 HydrophobicContact CG1-CE1 3.8Å; I390-F479 HydrophobicContact CG1-CZ 4.11Å; I390-F479 HydrophobicContact CG2-CD1 3.77Å; I390-F479 HydrophobicContact CG2-CE1 3.73Å; I390-A480 PolarHBondContact O-N 3.3Å; I390-L496 CarbonylContact C-O 3.51Å; I390-L496 WeakPolarHBondContact CA-O 3.41Å; I390-L496 HydrophobicContact CG1-CB 4.26Å; I390-L496 HydrophobicContact CG1-CD2 3.98Å; I390-L496 HydrophobicContact CG2-CB 4.43Å; I390-L496 HydrophobicContact CG2-CD2 3.97Å; I390-L496 HydrophobicContact CG2-CG 4.15Å; I390-T498 HydrophobicContact CG2-CG2 3.44Å; I390-T498 VanDerWaalsContact CG2-CG2 3.44Å
391	F	96.2	Very high	92.3	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	131.5	178.6	-73.1	-63.2	0	0	0	112.4	I389 A480 F484 A485 V495 L496 T498 M519	I389-F391 HydrophobicContact CB-CE2 4.47Å; I389-F391 HydrophobicContact CG2-CD1 4.22Å; I389-F391 HydrophobicContact CG2-CD2 4.08Å; I389-F391 HydrophobicContact CG2-CE1 3.85Å; I389-F391 HydrophobicContact CG2-CE2 3.69Å; I389-F391 HydrophobicContact CG2-CG 4.32Å; I389-F391 HydrophobicContact CG2-CZ 3.55Å; F391-A480 VanDerWaalsContact CA-O 3.31Å; F391-A480 WeakPolarHBondContact CA-O 3.46Å; F391-A480 HydrophobicContact CD1-CB 4.1Å; F391-A480 HydrophobicContact CE1-CB 4.08Å; F391-F484 HydrophobicContact CE1-CB 4.31Å; F391-F484 HydrophobicContact CE1-CD1 4.48Å; F391-A485 HydrophobicContact CE1-CB 3.96Å; F391-A485 HydrophobicContact CZ-CB 3.71Å; F391-V495 HydrophobicContact CD2-CG1 3.61Å; F391-V495 HydrophobicContact CE2-CG1 3.75Å; F391-V495 HydrophobicContact CE2-CG2 4.45Å; F391-L496 PolarHBondContact N-O 3.29Å; F391-T498 PolarHBondContact O-N 3.46Å; F391-T498 PolarHBondContact O-OG1 3.46Å; F391-T498 VanDerWaalsContact O-OG1 3.11Å; F391-M519 HydrophobicContact CB-SD 4.22Å; F391-M519 HydrophobicContact CD1-CG 4.33Å; F391-M519 HydrophobicContact CD1-SD 4.28Å; F391-M519 HydrophobicContact CD2-CB 3.85Å; F391-M519 HydrophobicContact CD2-CG 3.97Å; F391-M519 HydrophobicContact CD2-SD 4.26Å; F391-M519 HydrophobicContact CE1-CG 4.31Å; F391-M519 HydrophobicContact CE2-CB 3.78Å; F391-M519 HydrophobicContact CE2-CG 3.97Å; F391-M519 HydrophobicContact CG-CG 4.18Å; F391-M519 HydrophobicContact CG-SD 4Å; F391-M519 HydrophobicContact CZ-CB 4.39Å; F391-M519 HydrophobicContact CZ-CG 4.15Å
392	S	92.1	Very high	92.2	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	21%	0.211	C	C	.	.			trans	-138.9	142	169.8	-52.5	0	0	0	0	111	S394 A480 T481 T498	S392-S394 PolarHBondContact O-N 2.86Å; S392-S394 VanDerWaalsContact O-N 3.07Å; S392-A480 PolarHBondContact N-O 3.08Å; S392-T481 WeakPolarHBondContact O-CA 3.31Å; S392-T498 WeakPolarHBondContact CB-OG1 3.44Å; S392-T498 VanDerWaalsContact OG-CG2 3.28Å; S392-T498 WeakPolarHBondContact OG-CG2 3.36Å; S392-T498 PolarHBondContact OG-OG1 2.85Å
393	F	88.6	Confident	92	Very high	54 Å²	54	43.1 Å²	43.1	24%	0.237	21%	0.208	C	C	.	.	S	Bend	trans	-81	20.3	-174.2	-52.3	-64.6	0	0	0	114.8	N499 R501 K502 I511 M519	F393-N499 HydrophobicContact CE2-CB 4.39Å; F393-R501 WeakPolarHBondContact CD2-O 3.35Å; F393-K502 HydrophobicContact CB-CG 4.37Å; F393-K502 HydrophobicContact CD1-CB 4.36Å; F393-K502 HydrophobicContact CD1-CD 3.96Å; F393-K502 HydrophobicContact CD1-CG 4.13Å; F393-K502 HydrophobicContact CD2-CB 4.1Å; F393-K502 HydrophobicContact CE1-CD 4.28Å; F393-K502 HydrophobicContact CE2-CB 4.37Å; F393-K502 HydrophobicContact CG-CB 4.12Å; F393-K502 HydrophobicContact CG-CD 4.43Å; F393-K502 HydrophobicContact CG-CG 4.08Å; F393-I511 HydrophobicContact CE1-CG2 4.13Å; F393-I511 HydrophobicContact CE2-CG2 4.14Å; F393-I511 HydrophobicContact CZ-CG2 3.56Å; F393-M519 HydrophobicContact CE1-CE 4Å; F393-M519 HydrophobicContact CE1-SD 4.07Å; F393-M519 HydrophobicContact CZ-CE 4.48Å
394	S	87	Confident	91.8	Very high	37 Å²	37	38.8 Å²	38.8	26%	0.259	19%	0.194	S	C	.	.			trans	-150.5	126.4	-169.1	161.5	0	0	0	0	110.9	S392 K396 D397 C398	S392-S394 PolarHBondContact O-N 2.86Å; S392-S394 VanDerWaalsContact O-N 3.07Å; S394-K396 VanDerWaalsContact C-N 3.28Å; S394-K396 PolarHBondContact O-N 3.04Å; S394-D397 WeakPolarHBondContact CB-OD2 3.4Å; S394-D397 PolarHBondContact O-N 3.11Å; S394-D397 PolarHBondContact OG-N 3.15Å; S394-D397 PolarHBondContact OG-OD2 3.22Å; S394-C398 PolarHBondContact O-N 2.95Å; S394-C398 PolarHBondContact O-SG 3.21Å
395	K	88.9	Confident	91.6	Very high	42 Å²	42	34.5 Å²	34.5	18%	0.183	17%	0.171	C	C	.	.	H	α-helix	trans	-50.6	-50.3	175.7	-61.5	179.6	-176.8	-178.6	0	110	D397 C398 E399 H455 G456 E915 F988 S991	K395-D397 PolarHBondContact O-N 2.95Å; K395-C398 PolarHBondContact O-N 2.71Å; K395-E399 PolarHBondContact O-N 3.08Å; K395-H455 HydrophobicContact CG-CB 4.36Å; K395-G456 PolarHBondContact NZ-O 2.85Å; K395-E915 IonicContact NZ-OE1 2.7Å; K395-E915 PolarHBondContact NZ-OE1 2.74Å; K395-E915 IonicContact NZ-OE2 3.31Å; K395-E915 PolarHBondContact NZ-OE2 2.87Å; K395-F988 HydrophobicContact CB-CE1 4.46Å; K395-F988 HydrophobicContact CB-CE2 3.92Å; K395-F988 HydrophobicContact CB-CZ 3.78Å; K395-F988 HydrophobicContact CD-CD2 3.61Å; K395-F988 HydrophobicContact CD-CE2 3.6Å; K395-F988 HydrophobicContact CD-CG 4.27Å; K395-F988 HydrophobicContact CD-CZ 4.26Å; K395-F988 HydrophobicContact CG-CE2 4.36Å; K395-S991 PolarHBondContact NZ-OG 2.85Å
396	K	88.1	Confident	91.2	Very high	137 Å²	137	34.8 Å²	34.8	60%	0.596	18%	0.176	S	C	*	.	H	α-helix	trans	-68.7	-30.4	-175.9	-63.7	-176.9	179	-178.7	0	113.9	S394 A400 F988	S394-K396 VanDerWaalsContact C-N 3.28Å; S394-K396 PolarHBondContact O-N 3.04Å; K396-A400 VanDerWaalsContact O-CB 3.31Å; K396-A400 WeakPolarHBondContact O-CB 3.15Å; K396-A400 PolarHBondContact O-N 2.84Å; K396-A400 VanDerWaalsContact O-N 3.15Å; K396-F988 HydrophobicContact CG-CE2 4.49Å; K396-F988 HydrophobicContact CG-CZ 3.83Å
397	D	88.2	Confident	91	Very high	43 Å²	43	39.8 Å²	39.8	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-80.2	-30.2	178.9	-63.5	-60.1	0	0	0	112.1	R363 S394 K395 A400 Y401	R363-D397 IonicContact CZ-OD1 2.87Å; R363-D397 IonicContact NH2-OD1 2.69Å; R363-D397 PolarHBondContact NH2-OD1 3.1Å; S394-D397 WeakPolarHBondContact CB-OD2 3.4Å; S394-D397 PolarHBondContact O-N 3.11Å; S394-D397 PolarHBondContact OG-N 3.15Å; S394-D397 PolarHBondContact OG-OD2 3.22Å; K395-D397 PolarHBondContact O-N 2.95Å; D397-A400 PolarHBondContact O-N 2.74Å; D397-Y401 HydrophobicContact CB-CE2 4.24Å; D397-Y401 WeakPolarHBondContact O-CD2 3.41Å; D397-Y401 PolarHBondContact O-N 3.25Å
398	C	90.1	Very high	90.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-58.8	-52.5	171.7	-62.1	0	0	0	0	111.4	S394 K395 A400 Y401 A402 F479	S394-C398 PolarHBondContact O-N 2.95Å; S394-C398 PolarHBondContact O-SG 3.21Å; K395-C398 PolarHBondContact O-N 2.71Å; C398-A400 PolarHBondContact O-N 3.15Å; C398-Y401 PolarHBondContact O-N 3.32Å; C398-A402 WeakPolarHBondContact O-CB 3.17Å; C398-A402 PolarHBondContact O-N 2.74Å; C398-F479 HydrophobicContact CB-CB 4.42Å
399	E	90.5	Very high	90.5	Very high	61 Å²	61	45.3 Å²	45.3	29%	0.285	23%	0.226	S	C	.	.	H	α-helix	trans	-57.5	-46.9	174.9	-65.5	166.6	-168.2	0	0	111.5	K395 Y401 A402 L403 H455 F988	K395-E399 PolarHBondContact O-N 3.08Å; E399-Y401 VanDerWaalsContact C-N 3.32Å; E399-Y401 PolarHBondContact O-N 2.86Å; E399-A402 PolarHBondContact O-N 2.98Å; E399-L403 WeakPolarHBondContact O-CB 3.27Å; E399-L403 WeakPolarHBondContact O-CG 3.35Å; E399-L403 PolarHBondContact O-N 3.15Å; E399-H455 IonicContact OE1-CE1 2.72Å; E399-H455 PolarHBondContact OE1-CE1 2.98Å; E399-H455 IonicContact OE1-NE2 2.77Å; E399-H455 PolarHBondContact OE1-NE2 2.89Å; E399-F988 WeakPolarHBondContact OE1-CE1 3.34Å
400	A	89.9	Confident	90.4	Very high	37 Å²	37	47 Å²	47	31%	0.306	23%	0.233	S	C	.	.	H	α-helix	trans	-63.8	-33.6	-178.2	0	0	0	0	0	113.4	K396 D397 C398 Q404	K396-A400 VanDerWaalsContact O-CB 3.31Å; K396-A400 WeakPolarHBondContact O-CB 3.15Å; K396-A400 PolarHBondContact O-N 2.84Å; K396-A400 VanDerWaalsContact O-N 3.15Å; D397-A400 PolarHBondContact O-N 2.74Å; C398-A400 PolarHBondContact O-N 3.15Å; A400-Q404 WeakPolarHBondContact O-CG 3.34Å; A400-Q404 PolarHBondContact O-NE2 2.91Å
401	Y	91.4	Very high	90.4	Very high	43 Å²	43	47.5 Å²	47.5	17%	0.169	24%	0.236	C	C	.	.	H	α-helix	trans	-77.8	-40.1	173.9	-69.1	-54.8	0	0	0	112.4	V373 D397 C398 E399 L403 Q404 M405 T498	V373-Y401 HydrophobicContact CB-CD1 3.93Å; V373-Y401 HydrophobicContact CB-CE1 4.12Å; V373-Y401 HydrophobicContact CG1-CD1 4.08Å; V373-Y401 HydrophobicContact CG1-CG 4.26Å; V373-Y401 HydrophobicContact CG2-CD1 3.77Å; V373-Y401 HydrophobicContact CG2-CE1 3.49Å; V373-Y401 VanDerWaalsContact CG2-CE1 3.49Å; V373-Y401 HydrophobicContact CG2-CE2 4.5Å; V373-Y401 HydrophobicContact CG2-CG 4.4Å; D397-Y401 HydrophobicContact CB-CE2 4.24Å; D397-Y401 WeakPolarHBondContact O-CD2 3.41Å; D397-Y401 PolarHBondContact O-N 3.25Å; C398-Y401 PolarHBondContact O-N 3.32Å; E399-Y401 VanDerWaalsContact C-N 3.32Å; E399-Y401 PolarHBondContact O-N 2.86Å; Y401-L403 VanDerWaalsContact C-N 3.34Å; Y401-L403 PolarHBondContact O-N 3.37Å; Y401-Q404 WeakPolarHBondContact O-CB 3.28Å; Y401-Q404 PolarHBondContact O-N 3.26Å; Y401-Q404 VanDerWaalsContact O-N 3.08Å; Y401-M405 VanDerWaalsContact O-CE 3.28Å; Y401-M405 WeakPolarHBondContact O-CE 3.43Å; Y401-M405 PolarHBondContact O-N 2.89Å; Y401-T498 HydrophobicContact CD2-CG2 4.1Å; Y401-T498 HydrophobicContact CE2-CG2 3.91Å
402	A	91.1	Very high	90.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.7	-43.8	175.1	0	0	0	0	0	112.1	C398 E399 Q404 M405 I451 I453 F479	C398-A402 WeakPolarHBondContact O-CB 3.17Å; C398-A402 PolarHBondContact O-N 2.74Å; E399-A402 PolarHBondContact O-N 2.98Å; A402-Q404 PolarHBondContact O-N 3.12Å; A402-M405 PolarHBondContact O-N 3.17Å; A402-I451 HydrophobicContact CB-CG2 4.09Å; A402-I453 HydrophobicContact CB-CD1 3.63Å; A402-I453 HydrophobicContact CB-CG1 3.54Å; A402-F479 HydrophobicContact CB-CB 4.27Å; A402-F479 HydrophobicContact CB-CD2 3.67Å; A402-F479 HydrophobicContact CB-CE2 4.28Å; A402-F479 HydrophobicContact CB-CG 3.98Å
403	L	89.2	Confident	90.6	Very high	106 Å²	106	56.6 Å²	56.6	56%	0.555	29%	0.287	S	S	*	.	H	α-helix	trans	-60.6	-28.7	174.7	-73.4	173.1	0	0	0	113.2	E399 Y401 T406	E399-L403 WeakPolarHBondContact O-CB 3.27Å; E399-L403 WeakPolarHBondContact O-CG 3.35Å; E399-L403 PolarHBondContact O-N 3.15Å; Y401-L403 VanDerWaalsContact C-N 3.34Å; Y401-L403 PolarHBondContact O-N 3.37Å; L403-T406 WeakPolarHBondContact O-CB 3.3Å; L403-T406 VanDerWaalsContact O-CG2 3.31Å; L403-T406 WeakPolarHBondContact O-CG2 3.47Å; L403-T406 PolarHBondContact O-OG1 2.83Å
404	Q	89.2	Confident	90.9	Very high	62 Å²	62	60.8 Å²	60.8	29%	0.29	31%	0.308	S	S	.	.	H	α-helix	trans	-72.4	-27.6	174.3	-71.3	165.9	59.7	0	0	112.7	S371 F374 A400 Y401 A402 T406	S371-Q404 PolarHBondContact OG-OE1 3.42Å; F374-Q404 WeakPolarHBondContact CD2-O 3.49Å; F374-Q404 WeakPolarHBondContact CE2-O 3.48Å; A400-Q404 WeakPolarHBondContact O-CG 3.34Å; A400-Q404 PolarHBondContact O-NE2 2.91Å; Y401-Q404 WeakPolarHBondContact O-CB 3.28Å; Y401-Q404 PolarHBondContact O-N 3.26Å; Y401-Q404 VanDerWaalsContact O-N 3.08Å; A402-Q404 PolarHBondContact O-N 3.12Å; Q404-T406 VanDerWaalsContact C-N 3.35Å
405	M	89.2	Confident	91.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-77	-16.6	178.9	-56.9	-46.6	125.6	0	0	113.8	V373 F374 V377 Y401 A402 K407 L408 I451 F479	V373-M405 HydrophobicContact CB-CE 4.47Å; V373-M405 HydrophobicContact CG1-CE 3.95Å; F374-M405 HydrophobicContact CB-CE 3.93Å; F374-M405 HydrophobicContact CB-SD 4.23Å; F374-M405 HydrophobicContact CD2-CE 4.2Å; F374-M405 HydrophobicContact CD2-SD 3.75Å; F374-M405 HydrophobicContact CG-SD 4.32Å; V377-M405 HydrophobicContact CB-SD 4Å; V377-M405 HydrophobicContact CG1-SD 4.03Å; V377-M405 HydrophobicContact CG2-SD 4.33Å; Y401-M405 VanDerWaalsContact O-CE 3.28Å; Y401-M405 WeakPolarHBondContact O-CE 3.43Å; Y401-M405 PolarHBondContact O-N 2.89Å; A402-M405 PolarHBondContact O-N 3.17Å; M405-K407 PolarHBondContact O-N 3.36Å; M405-L408 PolarHBondContact O-N 3.36Å; M405-I451 HydrophobicContact CB-CD1 3.69Å; M405-I451 HydrophobicContact CB-CG1 4.22Å; M405-F479 HydrophobicContact CB-CE2 4.48Å; M405-F479 HydrophobicContact CE-CZ 4.08Å; M405-F479 HydrophobicContact CG-CE2 3.61Å; M405-F479 HydrophobicContact CG-CZ 3.4Å; M405-F479 VanDerWaalsContact CG-CZ 3.4Å; M405-F479 HydrophobicContact SD-CZ 4.24Å
406	T	86.3	Confident	91.8	Very high	45 Å²	45	60 Å²	60	28%	0.276	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-19.5	179.6	54.5	0	0	0	0	116.4	L403 Q404 L408 L446 R449	L403-T406 WeakPolarHBondContact O-CB 3.3Å; L403-T406 VanDerWaalsContact O-CG2 3.31Å; L403-T406 WeakPolarHBondContact O-CG2 3.47Å; L403-T406 PolarHBondContact O-OG1 2.83Å; Q404-T406 VanDerWaalsContact C-N 3.35Å; T406-L408 VanDerWaalsContact C-N 3.26Å; T406-L446 HydrophobicContact CG2-CD2 3.45Å; T406-L446 VanDerWaalsContact CG2-CD2 3.45Å; T406-R449 PolarHBondContact O-NE 2.85Å
407	K	87.3	Confident	92.2	Very high	158 Å²	158	59.6 Å²	59.6	69%	0.687	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-10.9	177.2	-56.7	172.7	-174.4	170.5	0	113.4	F374 M405	F374-K407 HydrophobicContact CE2-CB 4.2Å; F374-K407 HydrophobicContact CE2-CD 4.46Å; F374-K407 HydrophobicContact CZ-CB 4.46Å; M405-K407 PolarHBondContact O-N 3.36Å
408	L	89.3	Confident	92.5	Very high	39 Å²	39	61.3 Å²	61.3	20%	0.204	31%	0.306	C	S	.	.			trans	-113.2	154.8	174.8	-56.8	175.1	0	0	0	108.4	F374 K378 M405 T406 F410	F374-L408 HydrophobicContact CD2-CD1 4.44Å; F374-L408 HydrophobicContact CE1-CD1 4.31Å; F374-L408 HydrophobicContact CE2-CD1 3.75Å; F374-L408 HydrophobicContact CE2-CG 3.8Å; F374-L408 HydrophobicContact CZ-CD1 3.69Å; F374-L408 HydrophobicContact CZ-CD2 3.94Å; F374-L408 HydrophobicContact CZ-CG 3.69Å; K378-L408 HydrophobicContact CB-CD1 4.15Å; K378-L408 HydrophobicContact CG-CD1 4.37Å; M405-L408 PolarHBondContact O-N 3.36Å; T406-L408 VanDerWaalsContact C-N 3.26Å; L408-F410 HydrophobicContact CB-CD1 4.29Å; L408-F410 HydrophobicContact CB-CE1 3.49Å; L408-F410 VanDerWaalsContact CB-CE1 3.49Å; L408-F410 HydrophobicContact CB-CZ 3.66Å; L408-F410 HydrophobicContact CD1-CE1 3.78Å; L408-F410 HydrophobicContact CD1-CZ 3.8Å; L408-F410 HydrophobicContact CG-CE1 4.24Å; L408-F410 HydrophobicContact CG-CZ 4.37Å
409	D	94.8	Very high	92.8	Very high	84 Å²	84	61.3 Å²	61.3	45%	0.449	31%	0.306	S	S	.	.			trans	-131.9	120.5	176.3	-168.4	-9.5	0	0	0	106.4	N411 K416 R449	D409-N411 PolarHBondContact OD1-N 2.97Å; D409-K416 VanDerWaalsContact OD1-CE 3.29Å; D409-K416 WeakPolarHBondContact OD1-CE 3.3Å; D409-K416 IonicContact OD1-NZ 2.66Å; D409-K416 PolarHBondContact OD1-NZ 2.96Å; D409-K416 VanDerWaalsContact OD2-CE 3.29Å; D409-K416 WeakPolarHBondContact OD2-CE 3.46Å; D409-K416 IonicContact OD2-NZ 2.8Å; D409-K416 PolarHBondContact OD2-NZ 3.03Å; D409-R449 HydrophobicContact CB-CG 4.41Å; D409-R449 WeakPolarHBondContact OD1-CA 3.13Å
410	F	94.4	Very high	93.1	Very high	36 Å²	36	61.6 Å²	61.6	16%	0.158	31%	0.307	C	S	.	.			trans	-106.1	-2.6	-172.1	-51.1	-51.3	0	0	0	113.4	V377 M381 L408 R449 I451 K476 A477	V377-F410 HydrophobicContact CG1-CE2 4.47Å; V377-F410 HydrophobicContact CG1-CZ 4.08Å; M381-F410 HydrophobicContact CB-CD1 4.48Å; M381-F410 HydrophobicContact CB-CE1 4.41Å; M381-F410 HydrophobicContact CE-CD1 4.3Å; M381-F410 HydrophobicContact CE-CD2 3.91Å; M381-F410 HydrophobicContact CE-CE1 4.34Å; M381-F410 HydrophobicContact CE-CE2 3.96Å; M381-F410 HydrophobicContact CE-CG 4.08Å; M381-F410 HydrophobicContact CE-CZ 4.17Å; M381-F410 HydrophobicContact CG-CD1 3.77Å; M381-F410 HydrophobicContact CG-CE1 3.61Å; M381-F410 HydrophobicContact CG-CG 4.43Å; M381-F410 HydrophobicContact CG-CZ 4.16Å; M381-F410 HydrophobicContact SD-CD1 4.29Å; M381-F410 HydrophobicContact SD-CG 4.42Å; L408-F410 HydrophobicContact CB-CD1 4.29Å; L408-F410 HydrophobicContact CB-CE1 3.49Å; L408-F410 VanDerWaalsContact CB-CE1 3.49Å; L408-F410 HydrophobicContact CB-CZ 3.66Å; L408-F410 HydrophobicContact CD1-CE1 3.78Å; L408-F410 HydrophobicContact CD1-CZ 3.8Å; L408-F410 HydrophobicContact CG-CE1 4.24Å; L408-F410 HydrophobicContact CG-CZ 4.37Å; F410-R449 WeakPolarHBondContact CB-O 3.11Å; F410-R449 WeakPolarHBondContact CD2-O 3.43Å; F410-R449 PolarHBondContact N-O 3.33Å; F410-I451 HydrophobicContact CD2-CG1 3.91Å; F410-I451 HydrophobicContact CE2-CD1 4.26Å; F410-I451 HydrophobicContact CE2-CG1 3.78Å; F410-K476 HydrophobicContact CB-CB 3.99Å; F410-K476 HydrophobicContact CB-CG 3.69Å; F410-A477 HydrophobicContact CE2-CB 4.24Å
411	N	95.9	Very high	93.3	Very high	11 Å²	11	65.6 Å²	65.6	6%	0.059	32%	0.32	C	S	.	.	S	Bend	trans	-113.3	146.8	-176.9	-74.5	9.2	0	0	0	111.1	D409 E415 K416 K448 G450 L474 K476	D409-N411 PolarHBondContact OD1-N 2.97Å; N411-E415 HydrophobicContact CB-CB 3.92Å; N411-K416 HydrophobicContact CB-CG 4.37Å; N411-K416 WeakPolarHBondContact O-CE 3.49Å; N411-K416 PolarHBondContact O-NZ 2.96Å; N411-K448 WeakPolarHBondContact CB-O 3.13Å; N411-G450 PolarHBondContact ND2-N 3.43Å; N411-G450 WeakPolarHBondContact OD1-CA 3.21Å; N411-L474 PolarHBondContact ND2-O 3.16Å; N411-L474 PolarHBondContact OD1-O 3.48Å; N411-K476 VanDerWaalsContact OD1-CE 3.24Å; N411-K476 WeakPolarHBondContact OD1-CE 3.32Å
412	T	96.3	Very high	93.4	Very high	76 Å²	76	65.9 Å²	65.9	47%	0.466	33%	0.326	S	S	.	.			trans	-68.4	165.6	165.6	59.8	0	0	0	0	111.4	E414 E415 K416	T412-E414 PolarHBondContact O-N 3.46Å; T412-E415 WeakPolarHBondContact CB-OE2 3.26Å; T412-E415 WeakPolarHBondContact CG2-OE2 3.42Å; T412-E415 PolarHBondContact N-OE2 3.28Å; T412-E415 PolarHBondContact O-N 2.98Å; T412-E415 VanDerWaalsContact OG1-CG 3.31Å; T412-E415 WeakPolarHBondContact OG1-CG 3.11Å; T412-E415 PolarHBondContact OG1-N 3Å; T412-E415 PolarHBondContact OG1-OE2 2.89Å; T412-K416 WeakPolarHBondContact O-CE 3.45Å; T412-K416 WeakPolarHBondContact O-CG 3.45Å; T412-K416 PolarHBondContact O-N 3.16Å
413	D	96	Very high	93.5	Very high	117 Å²	117	66.4 Å²	66.4	63%	0.626	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-6	176.7	-60.2	-32	0	0	0	113.4	K416 K417	D413-K416 WeakPolarHBondContact OD1-CD 3.45Å; D413-K416 WeakPolarHBondContact OD1-CE 3.23Å; D413-K416 IonicContact OD1-NZ 3.27Å; D413-K416 PolarHBondContact OD1-NZ 3.02Å; D413-K417 WeakPolarHBondContact O-CG 3.45Å
414	E	96.3	Very high	93.7	Very high	143 Å²	143	64.7 Å²	64.7	67%	0.668	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-49.1	168.6	-173.4	166.5	-156.3	0	0	110.5	T412 K416 K417 M418	T412-E414 PolarHBondContact O-N 3.46Å; E414-K416 PolarHBondContact O-N 2.87Å; E414-K417 WeakPolarHBondContact O-CB 3.48Å; E414-K417 PolarHBondContact O-N 2.8Å; E414-M418 HydrophobicContact CG-CE 4.36Å; E414-M418 PolarHBondContact O-N 2.99Å; E414-M418 VanDerWaalsContact O-N 3.07Å
415	E	96.5	Very high	93.8	Very high	35 Å²	35	67.6 Å²	67.6	16%	0.164	34%	0.343	C	S	.	.	H	α-helix	trans	-58.4	-34.2	171.7	-70	163.8	118.2	0	0	112.3	N411 T412 K417 M418 V419 L474 K476	N411-E415 HydrophobicContact CB-CB 3.92Å; T412-E415 WeakPolarHBondContact CB-OE2 3.26Å; T412-E415 WeakPolarHBondContact CG2-OE2 3.42Å; T412-E415 PolarHBondContact N-OE2 3.28Å; T412-E415 PolarHBondContact O-N 2.98Å; T412-E415 VanDerWaalsContact OG1-CG 3.31Å; T412-E415 WeakPolarHBondContact OG1-CG 3.11Å; T412-E415 PolarHBondContact OG1-N 3Å; T412-E415 PolarHBondContact OG1-OE2 2.89Å; E415-K417 VanDerWaalsContact C-N 3.31Å; E415-K417 PolarHBondContact O-N 2.62Å; E415-M418 HydrophobicContact CB-CE 4.39Å; E415-M418 HydrophobicContact CG-CE 3.92Å; E415-M418 PolarHBondContact O-N 3.36Å; E415-V419 WeakPolarHBondContact O-CB 3.15Å; E415-V419 VanDerWaalsContact O-CG2 3.29Å; E415-V419 WeakPolarHBondContact O-CG2 3.07Å; E415-V419 PolarHBondContact O-N 3Å; E415-L474 HydrophobicContact CB-CD2 3.96Å; E415-L474 HydrophobicContact CG-CD2 3.95Å; E415-K476 WeakPolarHBondContact OE1-CE 3.31Å; E415-K476 IonicContact OE1-NZ 3.08Å; E415-K476 PolarHBondContact OE1-NZ 2.72Å
416	K	97.1	Very high	93.8	Very high	28 Å²	28	68.2 Å²	68.2	12%	0.122	35%	0.347	C	S	.	.	H	α-helix	trans	-59.9	-37.1	172.7	-80.8	165.9	-142.7	166.1	0	113.5	D409 N411 T412 D413 E414 E420 K448	D409-K416 VanDerWaalsContact OD1-CE 3.29Å; D409-K416 WeakPolarHBondContact OD1-CE 3.3Å; D409-K416 IonicContact OD1-NZ 2.66Å; D409-K416 PolarHBondContact OD1-NZ 2.96Å; D409-K416 VanDerWaalsContact OD2-CE 3.29Å; D409-K416 WeakPolarHBondContact OD2-CE 3.46Å; D409-K416 IonicContact OD2-NZ 2.8Å; D409-K416 PolarHBondContact OD2-NZ 3.03Å; N411-K416 HydrophobicContact CB-CG 4.37Å; N411-K416 WeakPolarHBondContact O-CE 3.49Å; N411-K416 PolarHBondContact O-NZ 2.96Å; T412-K416 WeakPolarHBondContact O-CE 3.45Å; T412-K416 WeakPolarHBondContact O-CG 3.45Å; T412-K416 PolarHBondContact O-N 3.16Å; D413-K416 WeakPolarHBondContact OD1-CD 3.45Å; D413-K416 WeakPolarHBondContact OD1-CE 3.23Å; D413-K416 IonicContact OD1-NZ 3.27Å; D413-K416 PolarHBondContact OD1-NZ 3.02Å; E414-K416 PolarHBondContact O-N 2.87Å; K416-E420 WeakPolarHBondContact O-CG 3.42Å; K416-E420 PolarHBondContact O-N 2.68Å; K416-E420 VanDerWaalsContact O-N 3.08Å; K416-K448 HydrophobicContact CG-CB 4.23Å; K416-K448 WeakPolarHBondContact CG-O 3.47Å
417	K	96.3	Very high	94	Very high	127 Å²	127	66.6 Å²	66.6	55%	0.552	34%	0.337	S	S	*	.	H	α-helix	trans	-73.5	-44.5	176.4	-67.7	173.5	-175.4	176.3	0	110.9	D413 E414 E415 V419 E420 E421	D413-K417 WeakPolarHBondContact O-CG 3.45Å; E414-K417 WeakPolarHBondContact O-CB 3.48Å; E414-K417 PolarHBondContact O-N 2.8Å; E415-K417 VanDerWaalsContact C-N 3.31Å; E415-K417 PolarHBondContact O-N 2.62Å; K417-V419 VanDerWaalsContact C-N 3.27Å; K417-V419 PolarHBondContact O-N 3.38Å; K417-E420 CarbonylContact O-C 3.5Å; K417-E420 WeakPolarHBondContact O-CA 3.33Å; K417-E420 PolarHBondContact O-N 2.77Å; K417-E421 WeakPolarHBondContact O-CB 3.42Å; K417-E421 WeakPolarHBondContact O-CG 3.44Å; K417-E421 PolarHBondContact O-N 2.87Å
418	M	95.8	Very high	94.1	Very high	79 Å²	79	64.4 Å²	64.4	39%	0.389	33%	0.333	S	S	.	.	H	α-helix	trans	-58.9	-40.1	175.2	-65.9	-171.9	-73.5	0	0	111.6	E414 E415 V422 L474	E414-M418 HydrophobicContact CG-CE 4.36Å; E414-M418 PolarHBondContact O-N 2.99Å; E414-M418 VanDerWaalsContact O-N 3.07Å; E415-M418 HydrophobicContact CB-CE 4.39Å; E415-M418 HydrophobicContact CG-CE 3.92Å; E415-M418 PolarHBondContact O-N 3.36Å; M418-V422 WeakPolarHBondContact O-CB 3.47Å; M418-V422 VanDerWaalsContact O-CG2 3.29Å; M418-V422 WeakPolarHBondContact O-CG2 3.47Å; M418-V422 PolarHBondContact O-N 2.66Å; M418-L474 HydrophobicContact CB-CD1 4.1Å; M418-L474 HydrophobicContact CB-CD2 4.18Å; M418-L474 HydrophobicContact CE-CD2 4.07Å
419	V	96.4	Very high	93.9	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.9	-46.5	171	170	0	0	0	0	111.8	E415 K417 F423 L444 L447 K448 L469 L474	E415-V419 WeakPolarHBondContact O-CB 3.15Å; E415-V419 VanDerWaalsContact O-CG2 3.29Å; E415-V419 WeakPolarHBondContact O-CG2 3.07Å; E415-V419 PolarHBondContact O-N 3Å; K417-V419 VanDerWaalsContact C-N 3.27Å; K417-V419 PolarHBondContact O-N 3.38Å; V419-F423 WeakPolarHBondContact O-CB 3.33Å; V419-F423 PolarHBondContact O-N 2.68Å; V419-L444 HydrophobicContact CG1-CD1 4.27Å; V419-L447 HydrophobicContact CG1-CB 3.75Å; V419-K448 HydrophobicContact CG1-CG 4.2Å; V419-L469 HydrophobicContact CG1-CD1 4.26Å; V419-L469 HydrophobicContact CG2-CD2 4.19Å; V419-L474 HydrophobicContact CG2-CB 3.8Å; V419-L474 HydrophobicContact CG2-CD1 4.15Å; V419-L474 HydrophobicContact CG2-CG 4.38Å
420	E	95.6	Very high	93.6	Very high	68 Å²	68	64.1 Å²	64.1	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-43.5	177.9	-78.5	178.4	133	0	0	112.5	K416 K417 F423 S424 L444 K448	K416-E420 WeakPolarHBondContact O-CG 3.42Å; K416-E420 PolarHBondContact O-N 2.68Å; K416-E420 VanDerWaalsContact O-N 3.08Å; K417-E420 CarbonylContact O-C 3.5Å; K417-E420 WeakPolarHBondContact O-CA 3.33Å; K417-E420 PolarHBondContact O-N 2.77Å; E420-F423 PolarHBondContact O-N 3.44Å; E420-S424 WeakPolarHBondContact O-CB 3.35Å; E420-S424 PolarHBondContact O-N 3.48Å; E420-S424 PolarHBondContact O-OG 3.39Å; E420-S424 VanDerWaalsContact O-OG 3.05Å; E420-L444 HydrophobicContact CG-CD1 4.2Å; E420-K448 HydrophobicContact CG-CD 3.71Å; E420-K448 HydrophobicContact CG-CG 4.11Å; E420-K448 WeakPolarHBondContact OE1-CD 3.42Å; E420-K448 WeakPolarHBondContact OE1-CE 3.2Å; E420-K448 IonicContact OE1-NZ 2.95Å; E420-K448 PolarHBondContact OE1-NZ 2.96Å; E420-K448 WeakPolarHBondContact OE2-CE 3.49Å; E420-K448 IonicContact OE2-NZ 2.71Å; E420-K448 PolarHBondContact OE2-NZ 3.08Å
421	E	94.7	Very high	93.3	Very high	120 Å²	120	64.7 Å²	64.7	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-66.5	-43.5	-179.6	-71.8	168.5	-156.6	0	0	112	K417 N425	K417-E421 WeakPolarHBondContact O-CB 3.42Å; K417-E421 WeakPolarHBondContact O-CG 3.44Å; K417-E421 PolarHBondContact O-N 2.87Å; E421-N425 WeakPolarHBondContact O-CB 3.44Å; E421-N425 PolarHBondContact O-N 3.2Å; E421-N425 PolarHBondContact O-ND2 3.43Å
422	V	93.3	Very high	93	Very high	49 Å²	49	69.5 Å²	69.5	30%	0.297	37%	0.373	S	S	.	.	H	α-helix	trans	-68.2	-44.1	175.5	171.8	0	0	0	0	111.1	M418 N425 A426 I468 L469	M418-V422 WeakPolarHBondContact O-CB 3.47Å; M418-V422 VanDerWaalsContact O-CG2 3.29Å; M418-V422 WeakPolarHBondContact O-CG2 3.47Å; M418-V422 PolarHBondContact O-N 2.66Å; V422-N425 PolarHBondContact O-N 3.29Å; V422-A426 WeakPolarHBondContact O-CB 3.32Å; V422-A426 PolarHBondContact O-N 2.95Å; V422-I468 HydrophobicContact CG1-CG2 4.26Å; V422-L469 HydrophobicContact CB-CD2 3.92Å; V422-L469 HydrophobicContact CG1-CD2 3.73Å; V422-L469 HydrophobicContact CG1-CG 4.26Å
423	F	94.4	Very high	92.6	Very high	11 Å²	11	71 Å²	71	5%	0.048	37%	0.374	C	S	.	.	H	α-helix	trans	-64.2	-44.7	178.4	-176.3	-92.5	0	0	0	111.8	V419 E420 A426 I427 V440 V443 L444 L447 L462 T465	V419-F423 WeakPolarHBondContact O-CB 3.33Å; V419-F423 PolarHBondContact O-N 2.68Å; E420-F423 PolarHBondContact O-N 3.44Å; F423-A426 PolarHBondContact O-N 3.39Å; F423-I427 HydrophobicContact CD1-CD1 3.68Å; F423-I427 HydrophobicContact CD2-CD1 3.8Å; F423-I427 HydrophobicContact CE1-CD1 3.28Å; F423-I427 HydrophobicContact CE2-CD1 3.41Å; F423-I427 VanDerWaalsContact CE2-CD1 3.41Å; F423-I427 HydrophobicContact CG-CD1 3.93Å; F423-I427 HydrophobicContact CZ-CD1 3.14Å; F423-I427 WeakPolarHBondContact O-CB 3.34Å; F423-I427 PolarHBondContact O-N 2.73Å; F423-V440 HydrophobicContact CE1-CG1 4.36Å; F423-V440 HydrophobicContact CZ-CG1 4Å; F423-V443 HydrophobicContact CE2-CG1 3.78Å; F423-V443 HydrophobicContact CZ-CG1 3.94Å; F423-L444 HydrophobicContact CB-CD1 4.14Å; F423-L444 HydrophobicContact CD1-CB 4.19Å; F423-L444 HydrophobicContact CD1-CD1 3.75Å; F423-L444 HydrophobicContact CD1-CD2 3.93Å; F423-L444 HydrophobicContact CD1-CG 4.16Å; F423-L444 HydrophobicContact CD2-CD1 4.34Å; F423-L444 HydrophobicContact CE1-CB 3.69Å; F423-L444 HydrophobicContact CE1-CD1 4.16Å; F423-L444 HydrophobicContact CE1-CD2 3.92Å; F423-L444 HydrophobicContact CE1-CG 4.13Å; F423-L444 HydrophobicContact CE2-CB 4.32Å; F423-L444 HydrophobicContact CG-CD1 3.84Å; F423-L444 HydrophobicContact CZ-CB 3.75Å; F423-L447 HydrophobicContact CD2-CD1 3.55Å; F423-L447 HydrophobicContact CE2-CD1 3.63Å; F423-L462 HydrophobicContact CE2-CD2 4.02Å; F423-L462 HydrophobicContact CZ-CD2 4.37Å; F423-T465 HydrophobicContact CD2-CG2 3.96Å
424	S	92.8	Very high	92.3	Very high	71 Å²	71	65.7 Å²	65.7	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-44.3	177.2	-71.5	0	0	0	0	112.1	E420 I427 D428	E420-S424 WeakPolarHBondContact O-CB 3.35Å; E420-S424 PolarHBondContact O-N 3.48Å; E420-S424 PolarHBondContact O-OG 3.39Å; E420-S424 VanDerWaalsContact O-OG 3.05Å; S424-I427 PolarHBondContact O-N 2.73Å; S424-D428 WeakPolarHBondContact O-CB 3.46Å; S424-D428 PolarHBondContact O-N 3.29Å
425	N	91.3	Very high	92	Very high	123 Å²	123	61.2 Å²	61.2	66%	0.658	33%	0.325	S	S	*	.	H	α-helix	trans	-60	-47.3	174.7	-86	-65.8	0	0	0	112	E421 V422 I427 D428	E421-N425 WeakPolarHBondContact O-CB 3.44Å; E421-N425 PolarHBondContact O-N 3.2Å; E421-N425 PolarHBondContact O-ND2 3.43Å; V422-N425 PolarHBondContact O-N 3.29Å; N425-I427 VanDerWaalsContact C-N 3.29Å; N425-I427 PolarHBondContact O-N 2.77Å; N425-D428 PolarHBondContact O-N 3.24Å
426	A	89.5	Confident	91.7	Very high	12 Å²	12	64.7 Å²	64.7	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-59.1	-40.9	179.1	0	0	0	0	0	112.2	V422 F423 I461 T465 L1039	V422-A426 WeakPolarHBondContact O-CB 3.32Å; V422-A426 PolarHBondContact O-N 2.95Å; F423-A426 PolarHBondContact O-N 3.39Å; A426-I461 WeakPolarHBondContact O-CD1 3.3Å; A426-T465 HydrophobicContact CB-CG2 4.03Å; A426-L1039 HydrophobicContact CB-CD1 3.76Å; A426-L1039 HydrophobicContact CB-CD2 4.23Å
427	I	90.3	Very high	91.4	Very high	12 Å²	12	63.4 Å²	63.4	6%	0.062	33%	0.334	C	S	.	.	H	α-helix	trans	-87.2	-11.7	-177	-80.2	155.2	0	0	0	113.6	F423 S424 N425 C429 L430 K435 V440 L462	F423-I427 HydrophobicContact CD1-CD1 3.68Å; F423-I427 HydrophobicContact CD2-CD1 3.8Å; F423-I427 HydrophobicContact CE1-CD1 3.28Å; F423-I427 HydrophobicContact CE2-CD1 3.41Å; F423-I427 VanDerWaalsContact CE2-CD1 3.41Å; F423-I427 HydrophobicContact CG-CD1 3.93Å; F423-I427 HydrophobicContact CZ-CD1 3.14Å; F423-I427 WeakPolarHBondContact O-CB 3.34Å; F423-I427 PolarHBondContact O-N 2.73Å; S424-I427 PolarHBondContact O-N 2.73Å; N425-I427 VanDerWaalsContact C-N 3.29Å; N425-I427 PolarHBondContact O-N 2.77Å; I427-C429 PolarHBondContact O-N 3.31Å; I427-C429 VanDerWaalsContact O-N 3.14Å; I427-L430 HydrophobicContact CG1-CD1 4.27Å; I427-L430 HydrophobicContact CG2-CD1 4.3Å; I427-L430 WeakPolarHBondContact O-CB 3.2Å; I427-L430 PolarHBondContact O-N 2.68Å; I427-K435 HydrophobicContact CG2-CG 3.8Å; I427-K435 WeakPolarHBondContact O-CE 3.12Å; I427-V440 HydrophobicContact CD1-CG1 3.77Å; I427-V440 HydrophobicContact CG1-CG1 4.48Å; I427-V440 HydrophobicContact CG2-CG1 4.42Å; I427-L462 HydrophobicContact CD1-CD2 3.93Å
428	D	89.7	Confident	91	Very high	112 Å²	112	60.4 Å²	60.4	60%	0.599	33%	0.327	S	S	*	.	H	α-helix	trans	-63.8	-25	-179.2	-157	40.1	0	0	0	112.9	S424 N425 L430 K435	S424-D428 WeakPolarHBondContact O-CB 3.46Å; S424-D428 PolarHBondContact O-N 3.29Å; N425-D428 PolarHBondContact O-N 3.24Å; D428-L430 PolarHBondContact O-N 2.64Å; D428-K435 WeakPolarHBondContact O-CE 3.37Å; D428-K435 PolarHBondContact O-NZ 2.74Å; D428-K435 IonicContact OD1-NZ 2.76Å; D428-K435 PolarHBondContact OD1-NZ 3.42Å
429	C	85.8	Confident	90.6	Very high	107 Å²	107	59.2 Å²	59.2	72%	0.723	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.2	172	-61.3	0	0	0	0	114.9	I427	I427-C429 PolarHBondContact O-N 3.31Å; I427-C429 VanDerWaalsContact O-N 3.14Å
430	L	88	Confident	90.3	Very high	10 Å²	10	59.4 Å²	59.4	5%	0.052	32%	0.322	C	S	.	.	S	Bend	trans	-88.3	159.4	176.6	-63.4	-176.2	0	0	0	112.4	I427 D428 D434 K435 I461 I1033 A1036	I427-L430 HydrophobicContact CG1-CD1 4.27Å; I427-L430 HydrophobicContact CG2-CD1 4.3Å; I427-L430 WeakPolarHBondContact O-CB 3.2Å; I427-L430 PolarHBondContact O-N 2.68Å; D428-L430 PolarHBondContact O-N 2.64Å; L430-D434 HydrophobicContact CB-CB 4.12Å; L430-D434 HydrophobicContact CD1-CB 4.45Å; L430-K435 HydrophobicContact CB-CG 4.1Å; L430-K435 WeakPolarHBondContact O-CE 3.4Å; L430-K435 PolarHBondContact O-NZ 2.71Å; L430-I461 HydrophobicContact CD1-CD1 4.17Å; L430-I461 HydrophobicContact CD1-CG2 4.32Å; L430-I461 HydrophobicContact CD2-CD1 3.85Å; L430-I461 HydrophobicContact CG-CD1 3.88Å; L430-I1033 HydrophobicContact CD1-CD1 4.02Å; L430-I1033 HydrophobicContact CD1-CG1 4.47Å; L430-I1033 HydrophobicContact CD2-CB 4.08Å; L430-I1033 HydrophobicContact CD2-CD1 4.29Å; L430-I1033 HydrophobicContact CD2-CG1 3.84Å; L430-A1036 HydrophobicContact CD2-CB 3.99Å
431	S	88.6	Confident	90	Very high	48 Å²	48	61.4 Å²	61.4	34%	0.336	33%	0.331	S	S	.	.			trans	-67.2	154.3	172.1	78.2	0	0	0	0	111.4	E433 D434 K435	S431-E433 PolarHBondContact O-N 2.87Å; S431-E433 VanDerWaalsContact O-N 3.11Å; S431-D434 PolarHBondContact O-N 2.92Å; S431-D434 WeakPolarHBondContact OG-CB 3.23Å; S431-D434 PolarHBondContact OG-N 3.29Å; S431-D434 VanDerWaalsContact OG-N 3.09Å; S431-D434 PolarHBondContact OG-OD2 3.45Å; S431-K435 WeakPolarHBondContact O-CG 3.48Å; S431-K435 PolarHBondContact O-N 2.92Å
432	D	88	Confident	89.7	Confident	111 Å²	111	62.1 Å²	62.1	59%	0.594	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.6	177.5	-71.3	-18.4	0	0	0	113.4	K435 K436	D432-K435 IonicContact OD1-NZ 3.77Å; D432-K436 WeakPolarHBondContact O-CE 3.43Å; D432-K436 WeakPolarHBondContact O-CG 3.25Å; D432-K436 PolarHBondContact O-NZ 2.8Å
433	E	87.9	Confident	89.7	Confident	107 Å²	107	60.3 Å²	60.3	50%	0.5	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-40.5	171.1	-73	-65.7	99.2	0	0	111.8	S431 K435 K436	S431-E433 PolarHBondContact O-N 2.87Å; S431-E433 VanDerWaalsContact O-N 3.11Å; E433-K435 VanDerWaalsContact C-N 3.32Å; E433-K435 PolarHBondContact O-N 2.94Å; E433-K436 PolarHBondContact O-N 3.1Å; E433-K436 VanDerWaalsContact O-N 3.16Å; E433-K436 IonicContact OE1-NZ 3.95Å; E433-K436 PolarHBondContact OE1-NZ 3.45Å
434	D	89.5	Confident	89.7	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.032	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-67.5	-33.1	176.2	-65.2	-47	0	0	0	112	L430 S431 K436 L437 I1033	L430-D434 HydrophobicContact CB-CB 4.12Å; L430-D434 HydrophobicContact CD1-CB 4.45Å; S431-D434 PolarHBondContact O-N 2.92Å; S431-D434 WeakPolarHBondContact OG-CB 3.23Å; S431-D434 PolarHBondContact OG-N 3.29Å; S431-D434 VanDerWaalsContact OG-N 3.09Å; S431-D434 PolarHBondContact OG-OD2 3.45Å; D434-K436 PolarHBondContact O-N 3.43Å; D434-L437 HydrophobicContact CB-CD1 4.15Å; D434-L437 VanDerWaalsContact O-CB 3.32Å; D434-L437 WeakPolarHBondContact O-CB 3.19Å; D434-L437 WeakPolarHBondContact O-CD1 3.32Å; D434-L437 VanDerWaalsContact O-CG 3.28Å; D434-L437 WeakPolarHBondContact O-CG 3.43Å; D434-L437 PolarHBondContact O-N 2.92Å; D434-L437 VanDerWaalsContact O-N 3.12Å; D434-I1033 HydrophobicContact CB-CB 4.11Å; D434-I1033 HydrophobicContact CB-CD1 4.31Å; D434-I1033 VanDerWaalsContact OD1-CG2 3.31Å; D434-I1033 WeakPolarHBondContact OD1-CG2 3.26Å; D434-I1033 PolarHBondContact OD2-N 3.22Å
435	K	90.9	Very high	89.8	Confident	50 Å²	50	61 Å²	61	22%	0.217	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-58.1	-28.6	171.5	-74.6	171.9	178.7	164.7	0	112.9	I427 D428 L430 S431 D432 E433	I427-K435 HydrophobicContact CG2-CG 3.8Å; I427-K435 WeakPolarHBondContact O-CE 3.12Å; D428-K435 WeakPolarHBondContact O-CE 3.37Å; D428-K435 PolarHBondContact O-NZ 2.74Å; D428-K435 IonicContact OD1-NZ 2.76Å; D428-K435 PolarHBondContact OD1-NZ 3.42Å; L430-K435 HydrophobicContact CB-CG 4.1Å; L430-K435 WeakPolarHBondContact O-CE 3.4Å; L430-K435 PolarHBondContact O-NZ 2.71Å; S431-K435 WeakPolarHBondContact O-CG 3.48Å; S431-K435 PolarHBondContact O-N 2.92Å; D432-K435 IonicContact OD1-NZ 3.77Å; E433-K435 VanDerWaalsContact C-N 3.32Å; E433-K435 PolarHBondContact O-N 2.94Å
436	K	90.4	Very high	90	Very high	107 Å²	107	55.7 Å²	55.7	47%	0.465	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-93.8	10.7	178.7	-57.4	-179.9	-155.1	91.3	0	113.7	D432 E433 D434	D432-K436 WeakPolarHBondContact O-CE 3.43Å; D432-K436 WeakPolarHBondContact O-CG 3.25Å; D432-K436 PolarHBondContact O-NZ 2.8Å; E433-K436 PolarHBondContact O-N 3.1Å; E433-K436 VanDerWaalsContact O-N 3.16Å; E433-K436 IonicContact OE1-NZ 3.95Å; E433-K436 PolarHBondContact OE1-NZ 3.45Å; D434-K436 PolarHBondContact O-N 3.43Å
437	L	90.8	Very high	90.3	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	29%	0.292	C	S	.	.			trans	-62.8	130	174.2	-76.6	166.4	0	0	0	109.5	D434 Q439 V440 E441 L459 F978 A979 I1033	D434-L437 HydrophobicContact CB-CD1 4.15Å; D434-L437 VanDerWaalsContact O-CB 3.32Å; D434-L437 WeakPolarHBondContact O-CB 3.19Å; D434-L437 WeakPolarHBondContact O-CD1 3.32Å; D434-L437 VanDerWaalsContact O-CG 3.28Å; D434-L437 WeakPolarHBondContact O-CG 3.43Å; D434-L437 PolarHBondContact O-N 2.92Å; D434-L437 VanDerWaalsContact O-N 3.12Å; L437-Q439 PolarHBondContact O-N 3.42Å; L437-V440 HydrophobicContact CB-CB 4.41Å; L437-V440 HydrophobicContact CB-CG2 3.98Å; L437-V440 WeakPolarHBondContact O-CA 3.24Å; L437-V440 WeakPolarHBondContact O-CB 3.37Å; L437-V440 PolarHBondContact O-N 3.26Å; L437-E441 PolarHBondContact O-N 3.17Å; L437-L459 HydrophobicContact CD1-CD1 4.48Å; L437-F978 HydrophobicContact CD1-CD1 3.77Å; L437-F978 HydrophobicContact CD1-CE1 4.38Å; L437-F978 HydrophobicContact CD2-CD1 4.09Å; L437-A979 HydrophobicContact CD2-CB 3.68Å; L437-I1033 HydrophobicContact CD1-CD1 3.66Å
438	P	88.2	Confident	90.6	Very high	63 Å²	63	57.3 Å²	57.3	41%	0.409	30%	0.301	S	S	.	.	H	α-helix	trans	-54.8	-28.3	179.3	-28.8	35.7	0	0	0	113.9	V440 H442	P438-V440 VanDerWaalsContact C-N 3.31Å; P438-H442 WeakPolarHBondContact O-CB 3.4Å; P438-H442 PolarHBondContact O-N 3.4Å; P438-H442 PolarHBondContact O-ND1 3.36Å; P438-H442 VanDerWaalsContact O-ND1 3.09Å
439	Q	86.9	Confident	90.9	Very high	55 Å²	55	56.1 Å²	56.1	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-65.5	-32.7	175	-61.2	78.2	3.4	0	0	112.5	L437 L459 E989	L437-Q439 PolarHBondContact O-N 3.42Å; Q439-L459 HydrophobicContact CB-CD1 4.13Å; Q439-E989 HydrophobicContact CG-CG 4.01Å; Q439-E989 WeakPolarHBondContact CG-OE1 3.4Å; Q439-E989 PolarHBondContact NE2-OE1 3.29Å
440	V	89.5	Confident	91.4	Very high	3 Å²	3	51 Å²	51	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-83	-46	176.6	-179.3	0	0	0	0	110.1	F423 I427 L437 P438 H442 V443 L459 L462	F423-V440 HydrophobicContact CE1-CG1 4.36Å; F423-V440 HydrophobicContact CZ-CG1 4Å; I427-V440 HydrophobicContact CD1-CG1 3.77Å; I427-V440 HydrophobicContact CG1-CG1 4.48Å; I427-V440 HydrophobicContact CG2-CG1 4.42Å; L437-V440 HydrophobicContact CB-CB 4.41Å; L437-V440 HydrophobicContact CB-CG2 3.98Å; L437-V440 WeakPolarHBondContact O-CA 3.24Å; L437-V440 WeakPolarHBondContact O-CB 3.37Å; L437-V440 PolarHBondContact O-N 3.26Å; P438-V440 VanDerWaalsContact C-N 3.31Å; V440-H442 PolarHBondContact O-N 2.7Å; V440-V443 WeakPolarHBondContact O-CG1 3.35Å; V440-V443 PolarHBondContact O-N 3.28Å; V440-L459 HydrophobicContact CG2-CD1 3.93Å; V440-L462 HydrophobicContact CG2-CD1 4.26Å; V440-L462 HydrophobicContact CG2-CD2 4.4Å
441	E	89.7	Confident	91.8	Very high	110 Å²	110	50.5 Å²	50.5	51%	0.514	25%	0.251	S	S	.	.	H	α-helix	trans	-64.1	-39.8	179.1	-65.3	-168.7	155.6	0	0	112.8	L437 P445	L437-E441 PolarHBondContact O-N 3.17Å; E441-P445 WeakPolarHBondContact O-CD 3.31Å
442	H	89.2	Confident	92.2	Very high	136 Å²	136	48.2 Å²	48.2	63%	0.63	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-20.3	-177.9	-65	154.2	0	0	0	114.4	P438 V440	P438-H442 WeakPolarHBondContact O-CB 3.4Å; P438-H442 PolarHBondContact O-N 3.4Å; P438-H442 PolarHBondContact O-ND1 3.36Å; P438-H442 VanDerWaalsContact O-ND1 3.09Å; V440-H442 PolarHBondContact O-N 2.7Å
443	V	92.6	Very high	92.6	Very high	11 Å²	11	43.5 Å²	43.5	7%	0.067	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-37.3	-178	76	0	0	0	0	112.5	F423 V440 L446 L447 L462 I466	F423-V443 HydrophobicContact CE2-CG1 3.78Å; F423-V443 HydrophobicContact CZ-CG1 3.94Å; V440-V443 WeakPolarHBondContact O-CG1 3.35Å; V440-V443 PolarHBondContact O-N 3.28Å; V443-L446 WeakPolarHBondContact O-CA 3.32Å; V443-L446 WeakPolarHBondContact O-CB 3.44Å; V443-L446 PolarHBondContact O-N 2.85Å; V443-L447 HydrophobicContact CG1-CD1 4.34Å; V443-L447 HydrophobicContact CG2-CD1 4.21Å; V443-L447 HydrophobicContact CG2-CD2 4.36Å; V443-L447 HydrophobicContact CG2-CG 4.14Å; V443-L447 WeakPolarHBondContact O-CG 3.48Å; V443-L447 PolarHBondContact O-N 3.07Å; V443-L447 VanDerWaalsContact O-N 3.11Å; V443-L462 HydrophobicContact CG1-CD1 4.03Å; V443-L462 HydrophobicContact CG1-CD2 3.96Å; V443-I466 HydrophobicContact CG2-CD1 4.13Å
444	L	93.8	Very high	92.9	Very high	36 Å²	36	39 Å²	39	19%	0.188	19%	0.188	C	C	.	.	H	α-helix	trans	-54.5	-43.9	-179.5	176.2	60.3	0	0	0	113.5	V419 E420 F423 L446 L447 K448	V419-L444 HydrophobicContact CG1-CD1 4.27Å; E420-L444 HydrophobicContact CG-CD1 4.2Å; F423-L444 HydrophobicContact CB-CD1 4.14Å; F423-L444 HydrophobicContact CD1-CB 4.19Å; F423-L444 HydrophobicContact CD1-CD1 3.75Å; F423-L444 HydrophobicContact CD1-CD2 3.93Å; F423-L444 HydrophobicContact CD1-CG 4.16Å; F423-L444 HydrophobicContact CD2-CD1 4.34Å; F423-L444 HydrophobicContact CE1-CB 3.69Å; F423-L444 HydrophobicContact CE1-CD1 4.16Å; F423-L444 HydrophobicContact CE1-CD2 3.92Å; F423-L444 HydrophobicContact CE1-CG 4.13Å; F423-L444 HydrophobicContact CE2-CB 4.32Å; F423-L444 HydrophobicContact CG-CD1 3.84Å; F423-L444 HydrophobicContact CZ-CB 3.75Å; L444-L446 PolarHBondContact O-N 3.08Å; L444-L446 VanDerWaalsContact O-N 3.15Å; L444-L447 PolarHBondContact O-N 2.92Å; L444-L447 VanDerWaalsContact O-N 3.16Å; L444-K448 HydrophobicContact CD1-CD 4.28Å; L444-K448 HydrophobicContact CD1-CG 3.84Å; L444-K448 HydrophobicContact CG-CD 4.34Å; L444-K448 HydrophobicContact CG-CG 4.29Å; L444-K448 WeakPolarHBondContact O-CG 3.3Å; L444-K448 PolarHBondContact O-N 2.98Å
445	P	94.8	Very high	93	Very high	59 Å²	59	38.8 Å²	38.8	38%	0.383	19%	0.187	S	C	.	.	H	α-helix	trans	-60.9	-19.6	174	-26.1	35.8	0	0	0	115.5	E441 R449	E441-P445 WeakPolarHBondContact O-CD 3.31Å; P445-R449 PolarHBondContact O-NH1 3.33Å
446	L	95.4	Very high	92.8	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.068	19%	0.186	C	C	.	.	H	α-helix	trans	-81.9	-48.1	171.2	-62.1	171.7	0	0	0	110.5	T406 V443 L444 K448 R449 G450 I451 I453	T406-L446 HydrophobicContact CG2-CD2 3.45Å; T406-L446 VanDerWaalsContact CG2-CD2 3.45Å; V443-L446 WeakPolarHBondContact O-CA 3.32Å; V443-L446 WeakPolarHBondContact O-CB 3.44Å; V443-L446 PolarHBondContact O-N 2.85Å; L444-L446 PolarHBondContact O-N 3.08Å; L444-L446 VanDerWaalsContact O-N 3.15Å; L446-K448 VanDerWaalsContact C-N 3.32Å; L446-K448 PolarHBondContact O-N 3.16Å; L446-R449 WeakPolarHBondContact O-CA 3.49Å; L446-R449 WeakPolarHBondContact O-CB 3.34Å; L446-R449 PolarHBondContact O-N 2.98Å; L446-G450 PolarHBondContact O-N 3.3Å; L446-I451 CarbonylContact C-O 3.56Å; L446-I451 HydrophobicContact CB-CB 4.32Å; L446-I451 HydrophobicContact CB-CG2 4.48Å; L446-I451 WeakPolarHBondContact CB-O 3.19Å; L446-I451 HydrophobicContact CD2-CG2 4.47Å; L446-I451 PolarHBondContact O-N 3.01Å; L446-I453 HydrophobicContact CD1-CD1 3.64Å; L446-I453 HydrophobicContact CD1-CG1 4.39Å
447	L	96.5	Very high	92.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-42.5	-178.9	-56.4	176.5	0	0	0	111.5	V419 F423 V443 L444 R449 G450 I451 I466 L469 I475	V419-L447 HydrophobicContact CG1-CB 3.75Å; F423-L447 HydrophobicContact CD2-CD1 3.55Å; F423-L447 HydrophobicContact CE2-CD1 3.63Å; V443-L447 HydrophobicContact CG1-CD1 4.34Å; V443-L447 HydrophobicContact CG2-CD1 4.21Å; V443-L447 HydrophobicContact CG2-CD2 4.36Å; V443-L447 HydrophobicContact CG2-CG 4.14Å; V443-L447 WeakPolarHBondContact O-CG 3.48Å; V443-L447 PolarHBondContact O-N 3.07Å; V443-L447 VanDerWaalsContact O-N 3.11Å; L444-L447 PolarHBondContact O-N 2.92Å; L444-L447 VanDerWaalsContact O-N 3.16Å; L447-R449 PolarHBondContact O-N 2.87Å; L447-R449 VanDerWaalsContact O-N 3.14Å; L447-G450 PolarHBondContact O-N 3.08Å; L447-I451 PolarHBondContact N-O 2.84Å; L447-I466 HydrophobicContact CD1-CG1 4.24Å; L447-I466 HydrophobicContact CD2-CD1 4Å; L447-I466 HydrophobicContact CD2-CG1 3.65Å; L447-L469 HydrophobicContact CB-CD1 4.32Å; L447-L469 HydrophobicContact CD1-CD1 3.95Å; L447-L469 HydrophobicContact CD2-CD1 4.49Å; L447-L469 HydrophobicContact CG-CD1 4.47Å; L447-I475 HydrophobicContact CD2-CD1 3.89Å
448	K	96.4	Very high	92.9	Very high	56 Å²	56	33.5 Å²	33.5	24%	0.243	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.1	174.7	-73.1	-168.4	76.4	169.8	0	113.4	N411 K416 V419 E420 L444 L446 G450	N411-K448 WeakPolarHBondContact CB-O 3.13Å; K416-K448 HydrophobicContact CG-CB 4.23Å; K416-K448 WeakPolarHBondContact CG-O 3.47Å; V419-K448 HydrophobicContact CG1-CG 4.2Å; E420-K448 HydrophobicContact CG-CD 3.71Å; E420-K448 HydrophobicContact CG-CG 4.11Å; E420-K448 WeakPolarHBondContact OE1-CD 3.42Å; E420-K448 WeakPolarHBondContact OE1-CE 3.2Å; E420-K448 IonicContact OE1-NZ 2.95Å; E420-K448 PolarHBondContact OE1-NZ 2.96Å; E420-K448 WeakPolarHBondContact OE2-CE 3.49Å; E420-K448 IonicContact OE2-NZ 2.71Å; E420-K448 PolarHBondContact OE2-NZ 3.08Å; L444-K448 HydrophobicContact CD1-CD 4.28Å; L444-K448 HydrophobicContact CD1-CG 3.84Å; L444-K448 HydrophobicContact CG-CD 4.34Å; L444-K448 HydrophobicContact CG-CG 4.29Å; L444-K448 WeakPolarHBondContact O-CG 3.3Å; L444-K448 PolarHBondContact O-N 2.98Å; L446-K448 VanDerWaalsContact C-N 3.32Å; L446-K448 PolarHBondContact O-N 3.16Å; K448-G450 VanDerWaalsContact C-N 3.32Å
449	R	96.4	Very high	93.1	Very high	87 Å²	87	30.5 Å²	30.5	33%	0.328	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	4.8	177.2	-68.2	175.7	171.2	94.3	-3.9	113.5	T406 D409 F410 P445 L446 L447 I451	T406-R449 PolarHBondContact O-NE 2.85Å; D409-R449 HydrophobicContact CB-CG 4.41Å; D409-R449 WeakPolarHBondContact OD1-CA 3.13Å; F410-R449 WeakPolarHBondContact CB-O 3.11Å; F410-R449 WeakPolarHBondContact CD2-O 3.43Å; F410-R449 PolarHBondContact N-O 3.33Å; P445-R449 PolarHBondContact O-NH1 3.33Å; L446-R449 WeakPolarHBondContact O-CA 3.49Å; L446-R449 WeakPolarHBondContact O-CB 3.34Å; L446-R449 PolarHBondContact O-N 2.98Å; L447-R449 PolarHBondContact O-N 2.87Å; L447-R449 VanDerWaalsContact O-N 3.14Å; R449-I451 HydrophobicContact CB-CD1 3.89Å; R449-I451 HydrophobicContact CB-CG1 4.27Å
450	G	96.4	Very high	93.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	22.2	-173.6	0	0	0	0	0	114	N411 L446 L447 K448 K476 A477	N411-G450 PolarHBondContact ND2-N 3.43Å; N411-G450 WeakPolarHBondContact OD1-CA 3.21Å; L446-G450 PolarHBondContact O-N 3.3Å; L447-G450 PolarHBondContact O-N 3.08Å; K448-G450 VanDerWaalsContact C-N 3.32Å; G450-K476 PolarHBondContact O-N 2.71Å; G450-A477 PolarHBondContact O-N 2.9Å
451	I	96.9	Very high	93.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.4	-178.2	-58.3	161.5	0	0	0	109.4	A402 M405 F410 L446 L447 R449 A477 F479	A402-I451 HydrophobicContact CB-CG2 4.09Å; M405-I451 HydrophobicContact CB-CD1 3.69Å; M405-I451 HydrophobicContact CB-CG1 4.22Å; F410-I451 HydrophobicContact CD2-CG1 3.91Å; F410-I451 HydrophobicContact CE2-CD1 4.26Å; F410-I451 HydrophobicContact CE2-CG1 3.78Å; L446-I451 CarbonylContact C-O 3.56Å; L446-I451 HydrophobicContact CB-CB 4.32Å; L446-I451 HydrophobicContact CB-CG2 4.48Å; L446-I451 WeakPolarHBondContact CB-O 3.19Å; L446-I451 HydrophobicContact CD2-CG2 4.47Å; L446-I451 PolarHBondContact O-N 3.01Å; L447-I451 PolarHBondContact N-O 2.84Å; R449-I451 HydrophobicContact CB-CD1 3.89Å; R449-I451 HydrophobicContact CB-CG1 4.27Å; I451-A477 WeakPolarHBondContact CA-O 3.25Å; I451-F479 HydrophobicContact CG2-CD2 4.2Å; I451-F479 HydrophobicContact CG2-CE2 4.17Å
452	G	96	Very high	93.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	158.5	175.9	0	0	0	0	0	113.1	A477 F479	G452-A477 PolarHBondContact N-O 3Å; G452-F479 PolarHBondContact O-N 2.68Å
453	I	95.6	Very high	93.5	Very high	12 Å²	12	19.4 Å²	19.4	6%	0.062	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.2	172.2	-56.8	176	0	0	0	108	A402 L446 H455 L458 I466 F479	A402-I453 HydrophobicContact CB-CD1 3.63Å; A402-I453 HydrophobicContact CB-CG1 3.54Å; L446-I453 HydrophobicContact CD1-CD1 3.64Å; L446-I453 HydrophobicContact CD1-CG1 4.39Å; I453-H455 VanDerWaalsContact CG2-CD2 3.4Å; I453-H455 WeakPolarHBondContact CG2-CD2 3.22Å; I453-H455 WeakPolarHBondContact CG2-NE2 3.18Å; I453-L458 HydrophobicContact CB-CD1 4.26Å; I453-L458 HydrophobicContact CG2-CD1 4.08Å; I453-L458 WeakPolarHBondContact O-CD1 3.37Å; I453-I466 VanDerWaalsContact O-CD1 3.23Å; I453-I466 WeakPolarHBondContact O-CD1 3.47Å; I453-F479 CarbonylContact C-O 3.51Å; I453-F479 WeakPolarHBondContact CA-O 3.3Å
454	H	94.3	Very high	93.3	Very high	13 Å²	13	19.5 Å²	19.5	6%	0.06	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	111.9	177.2	-165.1	-68.3	0	0	0	112.5	E467 L478 F479 A480 T481 F484	H454-E467 IonicContact CD2-OE1 3.8Å; H454-E467 IonicContact CE1-OE1 2.69Å; H454-E467 IonicContact NE2-OE1 2.64Å; H454-E467 PolarHBondContact NE2-OE1 3.33Å; H454-L478 HydrophobicContact CB-CD1 4.14Å; H454-F479 PolarHBondContact N-O 2.88Å; H454-A480 HydrophobicContact CB-CB 4.34Å; H454-A480 CarbonylContact O-C 3.55Å; H454-A480 VanDerWaalsContact O-CA 3.25Å; H454-A480 WeakPolarHBondContact O-CA 3.37Å; H454-T481 PolarHBondContact O-N 3.46Å; H454-F484 HydrophobicContact CB-CD2 4.31Å; H454-F484 AromaticContact CD2-CD2 3.67Å; H454-F484 AromaticContact CD2-CE2 3.98Å; H454-F484 AromaticContact CE1-CD2 3.78Å; H454-F484 AromaticContact CG-CD2 3.65Å; H454-F484 AromaticContact ND1-CD2 3.77Å; H454-F484 AromaticContact NE2-CD2 3.74Å
455	H	92.4	Very high	93.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.			trans	-155.3	161.7	169.2	50.3	97.8	0	0	0	111.7	K395 E399 I453 G457 L458 T481	K395-H455 HydrophobicContact CG-CB 4.36Å; E399-H455 IonicContact OE1-CE1 2.72Å; E399-H455 PolarHBondContact OE1-CE1 2.98Å; E399-H455 IonicContact OE1-NE2 2.77Å; E399-H455 PolarHBondContact OE1-NE2 2.89Å; I453-H455 VanDerWaalsContact CG2-CD2 3.4Å; I453-H455 WeakPolarHBondContact CG2-CD2 3.22Å; I453-H455 WeakPolarHBondContact CG2-NE2 3.18Å; H455-G457 PolarHBondContact ND1-N 2.84Å; H455-G457 PolarHBondContact O-N 3.36Å; H455-L458 PolarHBondContact O-N 3.44Å; H455-T481 VanDerWaalsContact CA-OG1 3.3Å; H455-T481 WeakPolarHBondContact CA-OG1 3.27Å; H455-T481 HydrophobicContact CB-CG2 3.63Å; H455-T481 VanDerWaalsContact CB-OG1 3.26Å; H455-T481 WeakPolarHBondContact CB-OG1 3.39Å
456	G	87.3	Confident	93.2	Very high	19 Å²	19	15 Å²	15	20%	0.196	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	24.9	172.2	0	0	0	0	0	115.1	K395 S991 R994	K395-G456 PolarHBondContact NZ-O 2.85Å; G456-S991 PolarHBondContact O-OG 3Å; G456-R994 PolarHBondContact O-NH2 3.12Å
457	G	90.1	Very high	93	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-24.5	163.9	0	0	0	0	0	112.8	H455 G990	H455-G457 PolarHBondContact ND1-N 2.84Å; H455-G457 PolarHBondContact O-N 3.36Å; G457-G990 VanDerWaalsContact O-CA 3.26Å; G457-G990 WeakPolarHBondContact O-CA 3.03Å; G457-G990 PolarHBondContact O-N 3.22Å
458	L	92.6	Very high	92.7	Very high	29 Å²	29	16.6 Å²	16.6	15%	0.152	8%	0.082	C	C	.	.	S	Bend	trans	-74.8	150.9	-177.1	-59.6	179.8	0	0	0	112.6	I453 H455 K463 I466 G990	I453-L458 HydrophobicContact CB-CD1 4.26Å; I453-L458 HydrophobicContact CG2-CD1 4.08Å; I453-L458 WeakPolarHBondContact O-CD1 3.37Å; H455-L458 PolarHBondContact O-N 3.44Å; L458-K463 HydrophobicContact CB-CG 3.84Å; L458-I466 HydrophobicContact CD1-CD1 4.44Å; L458-G990 WeakPolarHBondContact O-CA 3.42Å
459	L	92.3	Very high	92.6	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.07	C	C	.	.			trans	-52	136.6	172.4	-59.1	169.9	0	0	0	110.4	L437 Q439 V440 I461 L462 K463 F978 E989 I993 I1033	L437-L459 HydrophobicContact CD1-CD1 4.48Å; Q439-L459 HydrophobicContact CB-CD1 4.13Å; V440-L459 HydrophobicContact CG2-CD1 3.93Å; L459-I461 VanDerWaalsContact C-N 3.35Å; L459-I461 HydrophobicContact CB-CG2 4.4Å; L459-I461 PolarHBondContact O-N 3.47Å; L459-L462 HydrophobicContact CB-CB 4.31Å; L459-L462 HydrophobicContact CB-CD1 4.17Å; L459-L462 HydrophobicContact CB-CG 4.08Å; L459-L462 HydrophobicContact CD1-CD1 3.81Å; L459-L462 HydrophobicContact CD1-CG 4.27Å; L459-L462 HydrophobicContact CG-CD1 4.3Å; L459-L462 PolarHBondContact O-N 3.05Å; L459-L462 VanDerWaalsContact O-N 3.08Å; L459-K463 PolarHBondContact O-N 2.89Å; L459-F978 HydrophobicContact CD2-CE1 3.78Å; L459-F978 HydrophobicContact CD2-CZ 4.11Å; L459-E989 HydrophobicContact CD2-CB 3.64Å; L459-E989 HydrophobicContact CG-CB 4.42Å; L459-I993 HydrophobicContact CD2-CD1 3.56Å; L459-I1033 HydrophobicContact CD1-CD1 3.9Å; L459-I1033 HydrophobicContact CD2-CD1 4.21Å
460	P	89.4	Confident	92.5	Very high	22 Å²	22	10.3 Å²	10.3	14%	0.143	6%	0.057	C	C	.	.	H	α-helix	trans	-52.5	-48.7	-175.2	-29.8	36.5	0	0	0	113.8	L462 K463 E464 I993	P460-L462 VanDerWaalsContact C-N 3.34Å; P460-L462 PolarHBondContact O-N 3.11Å; P460-K463 WeakPolarHBondContact O-CB 3.24Å; P460-K463 PolarHBondContact O-N 2.97Å; P460-K463 VanDerWaalsContact O-N 3.17Å; P460-E464 WeakPolarHBondContact O-CG 3.38Å; P460-E464 PolarHBondContact O-N 2.87Å; P460-E464 VanDerWaalsContact O-N 3.09Å; P460-I993 HydrophobicContact CG-CB 4.39Å; P460-I993 HydrophobicContact CG-CG2 3.71Å
461	I	90.7	Very high	92.2	Very high	6 Å²	6	13.8 Å²	13.8	3%	0.031	8%	0.081	C	C	.	.	H	α-helix	trans	-58.9	-39	178.5	-168.8	168	0	0	0	113.3	A426 L430 L459 E464 T465 L1039	A426-I461 WeakPolarHBondContact O-CD1 3.3Å; L430-I461 HydrophobicContact CD1-CD1 4.17Å; L430-I461 HydrophobicContact CD1-CG2 4.32Å; L430-I461 HydrophobicContact CD2-CD1 3.85Å; L430-I461 HydrophobicContact CG-CD1 3.88Å; L459-I461 VanDerWaalsContact C-N 3.35Å; L459-I461 HydrophobicContact CB-CG2 4.4Å; L459-I461 PolarHBondContact O-N 3.47Å; I461-E464 PolarHBondContact O-N 3.49Å; I461-T465 WeakPolarHBondContact O-CB 3.29Å; I461-T465 PolarHBondContact O-N 2.81Å; I461-T465 PolarHBondContact O-OG1 2.78Å; I461-L1039 HydrophobicContact CG1-CD1 4.2Å; I461-L1039 HydrophobicContact CG1-CD2 4.43Å; I461-L1039 HydrophobicContact CG1-CG 4.38Å
462	L	92.5	Very high	91.9	Very high	4 Å²	4	20 Å²	20	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-68.3	-38.7	177.5	-69.2	-175	0	0	0	111.7	F423 I427 V440 V443 L459 P460 T465 I466	F423-L462 HydrophobicContact CE2-CD2 4.02Å; F423-L462 HydrophobicContact CZ-CD2 4.37Å; I427-L462 HydrophobicContact CD1-CD2 3.93Å; V440-L462 HydrophobicContact CG2-CD1 4.26Å; V440-L462 HydrophobicContact CG2-CD2 4.4Å; V443-L462 HydrophobicContact CG1-CD1 4.03Å; V443-L462 HydrophobicContact CG1-CD2 3.96Å; L459-L462 HydrophobicContact CB-CB 4.31Å; L459-L462 HydrophobicContact CB-CD1 4.17Å; L459-L462 HydrophobicContact CB-CG 4.08Å; L459-L462 HydrophobicContact CD1-CD1 3.81Å; L459-L462 HydrophobicContact CD1-CG 4.27Å; L459-L462 HydrophobicContact CG-CD1 4.3Å; L459-L462 PolarHBondContact O-N 3.05Å; L459-L462 VanDerWaalsContact O-N 3.08Å; P460-L462 VanDerWaalsContact C-N 3.34Å; P460-L462 PolarHBondContact O-N 3.11Å; L462-T465 PolarHBondContact O-N 3.05Å; L462-I466 WeakPolarHBondContact O-CB 3.48Å; L462-I466 WeakPolarHBondContact O-CD1 3.43Å; L462-I466 WeakPolarHBondContact O-CG1 3.21Å; L462-I466 PolarHBondContact O-N 2.96Å
463	K	90.6	Very high	91.7	Very high	39 Å²	39	21.3 Å²	21.3	17%	0.17	12%	0.124	C	C	.	.	H	α-helix	trans	-62	-46.7	174	-62.1	-171.8	-53.8	72.9	0	111.1	L458 L459 P460 T465 I466 E467	L458-K463 HydrophobicContact CB-CG 3.84Å; L459-K463 PolarHBondContact O-N 2.89Å; P460-K463 WeakPolarHBondContact O-CB 3.24Å; P460-K463 PolarHBondContact O-N 2.97Å; P460-K463 VanDerWaalsContact O-N 3.17Å; K463-T465 VanDerWaalsContact C-N 3.35Å; K463-T465 PolarHBondContact O-N 2.81Å; K463-I466 CarbonylContact O-C 3.57Å; K463-I466 PolarHBondContact O-N 3.41Å; K463-I466 VanDerWaalsContact O-N 3.13Å; K463-E467 IonicContact NZ-OE1 2.72Å; K463-E467 PolarHBondContact NZ-OE1 3.48Å; K463-E467 WeakPolarHBondContact O-CB 3.3Å; K463-E467 VanDerWaalsContact O-CD 3.27Å; K463-E467 WeakPolarHBondContact O-CG 3.09Å; K463-E467 PolarHBondContact O-N 2.66Å
464	E	89.5	Confident	91.8	Very high	13 Å²	13	21.2 Å²	21.2	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-65.1	-39.5	-179.2	-64.7	175.9	168.5	0	0	111.1	P460 I461 I466 E467 I468 S1038 L1039 Y1040	P460-E464 WeakPolarHBondContact O-CG 3.38Å; P460-E464 PolarHBondContact O-N 2.87Å; P460-E464 VanDerWaalsContact O-N 3.09Å; I461-E464 PolarHBondContact O-N 3.49Å; E464-I466 VanDerWaalsContact C-N 3.32Å; E464-I466 PolarHBondContact O-N 3.37Å; E464-E467 PolarHBondContact O-N 3.09Å; E464-I468 WeakPolarHBondContact O-CD1 3.18Å; E464-I468 VanDerWaalsContact O-CG1 3.29Å; E464-I468 WeakPolarHBondContact O-CG1 3.44Å; E464-I468 PolarHBondContact O-N 3.23Å; E464-S1038 VanDerWaalsContact CD-OG 3.23Å; E464-S1038 WeakPolarHBondContact OE1-CB 3.27Å; E464-S1038 PolarHBondContact OE1-OG 2.75Å; E464-S1038 WeakPolarHBondContact OE2-CA 3.45Å; E464-S1038 PolarHBondContact OE2-OG 3.28Å; E464-L1039 HydrophobicContact CB-CB 4.19Å; E464-L1039 HydrophobicContact CB-CD1 3.91Å; E464-L1039 HydrophobicContact CB-CG 4.2Å; E464-L1039 PolarHBondContact OE2-N 2.95Å; E464-Y1040 HydrophobicContact CB-CE2 4.28Å; E464-Y1040 HydrophobicContact CG-CD2 4.24Å; E464-Y1040 HydrophobicContact CG-CE2 3.88Å
465	T	92.5	Very high	91.9	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-41.8	171.5	-50.2	0	0	0	0	111.3	F423 A426 I461 L462 K463 I468 L469 L1039	F423-T465 HydrophobicContact CD2-CG2 3.96Å; A426-T465 HydrophobicContact CB-CG2 4.03Å; I461-T465 WeakPolarHBondContact O-CB 3.29Å; I461-T465 PolarHBondContact O-N 2.81Å; I461-T465 PolarHBondContact O-OG1 2.78Å; L462-T465 PolarHBondContact O-N 3.05Å; K463-T465 VanDerWaalsContact C-N 3.35Å; K463-T465 PolarHBondContact O-N 2.81Å; T465-I468 PolarHBondContact O-N 3.42Å; T465-L469 HydrophobicContact CG2-CD1 4.05Å; T465-L469 HydrophobicContact CG2-CG 4.44Å; T465-L469 WeakPolarHBondContact O-CB 3.36Å; T465-L469 WeakPolarHBondContact O-CG 3.29Å; T465-L469 PolarHBondContact O-N 3.1Å; T465-L1039 WeakPolarHBondContact OG1-CD1 3.38Å
466	I	93.9	Very high	92.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-70.8	-36.3	179.1	-72.9	171.7	0	0	0	112.1	V443 L447 I453 L458 L462 K463 E464 F470 I475 L478	V443-I466 HydrophobicContact CG2-CD1 4.13Å; L447-I466 HydrophobicContact CD1-CG1 4.24Å; L447-I466 HydrophobicContact CD2-CD1 4Å; L447-I466 HydrophobicContact CD2-CG1 3.65Å; I453-I466 VanDerWaalsContact O-CD1 3.23Å; I453-I466 WeakPolarHBondContact O-CD1 3.47Å; L458-I466 HydrophobicContact CD1-CD1 4.44Å; L462-I466 WeakPolarHBondContact O-CB 3.48Å; L462-I466 WeakPolarHBondContact O-CD1 3.43Å; L462-I466 WeakPolarHBondContact O-CG1 3.21Å; L462-I466 PolarHBondContact O-N 2.96Å; K463-I466 CarbonylContact O-C 3.57Å; K463-I466 PolarHBondContact O-N 3.41Å; K463-I466 VanDerWaalsContact O-N 3.13Å; E464-I466 VanDerWaalsContact C-N 3.32Å; E464-I466 PolarHBondContact O-N 3.37Å; I466-F470 VanDerWaalsContact O-CB 3.29Å; I466-F470 WeakPolarHBondContact O-CB 3.37Å; I466-F470 PolarHBondContact O-N 3.1Å; I466-I475 HydrophobicContact CB-CD1 4.4Å; I466-I475 HydrophobicContact CG2-CD1 3.9Å; I466-L478 HydrophobicContact CG2-CD1 3.65Å
467	E	91.1	Very high	92.6	Very high	3 Å²	3	21 Å²	21	1%	0.014	12%	0.117	C	C	.	.	H	α-helix	trans	-61.4	-48.8	172.7	-70.5	155.4	-159.5	0	0	109.8	H454 K463 E464 F470 S471 F484 I488 M490 Y1040	H454-E467 IonicContact CD2-OE1 3.8Å; H454-E467 IonicContact CE1-OE1 2.69Å; H454-E467 IonicContact NE2-OE1 2.64Å; H454-E467 PolarHBondContact NE2-OE1 3.33Å; K463-E467 IonicContact NZ-OE1 2.72Å; K463-E467 PolarHBondContact NZ-OE1 3.48Å; K463-E467 WeakPolarHBondContact O-CB 3.3Å; K463-E467 VanDerWaalsContact O-CD 3.27Å; K463-E467 WeakPolarHBondContact O-CG 3.09Å; K463-E467 PolarHBondContact O-N 2.66Å; E464-E467 PolarHBondContact O-N 3.09Å; E467-F470 WeakPolarHBondContact O-CB 3.4Å; E467-F470 PolarHBondContact O-N 2.93Å; E467-S471 PolarHBondContact O-N 3.08Å; E467-S471 PolarHBondContact O-OG 3.01Å; E467-F484 HydrophobicContact CG-CE2 4.43Å; E467-I488 HydrophobicContact CG-CD1 3.93Å; E467-I488 WeakPolarHBondContact OE2-CD1 3.38Å; E467-M490 HydrophobicContact CB-CE 3.81Å; E467-M490 HydrophobicContact CB-SD 3.87Å; E467-M490 HydrophobicContact CG-SD 4.26Å; E467-M490 WeakPolarHBondContact O-CE 3.44Å; E467-Y1040 VanDerWaalsContact CB-OH 3.25Å; E467-Y1040 WeakPolarHBondContact CB-OH 3.2Å; E467-Y1040 WeakPolarHBondContact OE2-CE2 3.14Å; E467-Y1040 PolarHBondContact OE2-OH 3.38Å
468	I	90.4	Very high	92.9	Very high	44 Å²	44	21 Å²	21	23%	0.226	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-49.4	175.6	-66.8	162.6	0	0	0	111.8	V422 E464 T465 F470 S471 E472 L1039	V422-I468 HydrophobicContact CG1-CG2 4.26Å; E464-I468 WeakPolarHBondContact O-CD1 3.18Å; E464-I468 VanDerWaalsContact O-CG1 3.29Å; E464-I468 WeakPolarHBondContact O-CG1 3.44Å; E464-I468 PolarHBondContact O-N 3.23Å; T465-I468 PolarHBondContact O-N 3.42Å; I468-F470 PolarHBondContact O-N 3.33Å; I468-F470 VanDerWaalsContact O-N 3.16Å; I468-S471 PolarHBondContact O-N 3.44Å; I468-S471 VanDerWaalsContact O-N 3.14Å; I468-S471 PolarHBondContact O-OG 2.82Å; I468-E472 WeakPolarHBondContact O-CG 3.49Å; I468-E472 PolarHBondContact O-N 3.09Å; I468-L1039 HydrophobicContact CD1-CB 3.9Å; I468-L1039 HydrophobicContact CD1-CD1 4.16Å
469	L	94.6	Very high	93.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.1	-21.2	177.5	-70.8	173.8	0	0	0	112.9	V419 V422 L447 T465 L474 I475	V419-L469 HydrophobicContact CG1-CD1 4.26Å; V419-L469 HydrophobicContact CG2-CD2 4.19Å; V422-L469 HydrophobicContact CB-CD2 3.92Å; V422-L469 HydrophobicContact CG1-CD2 3.73Å; V422-L469 HydrophobicContact CG1-CG 4.26Å; L447-L469 HydrophobicContact CB-CD1 4.32Å; L447-L469 HydrophobicContact CD1-CD1 3.95Å; L447-L469 HydrophobicContact CD2-CD1 4.49Å; L447-L469 HydrophobicContact CG-CD1 4.47Å; T465-L469 HydrophobicContact CG2-CD1 4.05Å; T465-L469 HydrophobicContact CG2-CG 4.44Å; T465-L469 WeakPolarHBondContact O-CB 3.36Å; T465-L469 WeakPolarHBondContact O-CG 3.29Å; T465-L469 PolarHBondContact O-N 3.1Å; L469-L474 HydrophobicContact CD2-CB 4.27Å; L469-L474 HydrophobicContact CD2-CD1 3.62Å; L469-L474 WeakPolarHBondContact O-CA 3.42Å; L469-L474 WeakPolarHBondContact O-CB 3.45Å; L469-L474 PolarHBondContact O-N 3.25Å; L469-I475 HydrophobicContact CB-CD1 3.63Å; L469-I475 HydrophobicContact CB-CG1 3.95Å; L469-I475 PolarHBondContact O-N 3.29Å; L469-I475 VanDerWaalsContact O-N 3.09Å
470	F	94.3	Very high	93.2	Very high	10 Å²	10	19.5 Å²	19.5	4%	0.044	11%	0.109	C	C	.	.	H	α-helix	trans	-81.7	-39.3	173	-170.4	-100.3	0	0	0	112.4	P387 I389 I466 E467 I468 G473 I475 L478 F484 M490 A492	P387-F470 HydrophobicContact CB-CE2 4Å; P387-F470 HydrophobicContact CB-CZ 4.18Å; P387-F470 HydrophobicContact CG-CZ 4.44Å; I389-F470 HydrophobicContact CD1-CZ 4.29Å; I389-F470 HydrophobicContact CG1-CE1 4.49Å; I389-F470 HydrophobicContact CG1-CE2 4.5Å; I389-F470 HydrophobicContact CG1-CZ 3.86Å; I466-F470 VanDerWaalsContact O-CB 3.29Å; I466-F470 WeakPolarHBondContact O-CB 3.37Å; I466-F470 PolarHBondContact O-N 3.1Å; E467-F470 WeakPolarHBondContact O-CB 3.4Å; E467-F470 PolarHBondContact O-N 2.93Å; I468-F470 PolarHBondContact O-N 3.33Å; I468-F470 VanDerWaalsContact O-N 3.16Å; F470-G473 PolarHBondContact O-N 3.34Å; F470-G473 VanDerWaalsContact O-N 3.08Å; F470-I475 HydrophobicContact CB-CB 4.49Å; F470-I475 HydrophobicContact CD2-CB 4.06Å; F470-I475 HydrophobicContact CD2-CG2 3.97Å; F470-L478 HydrophobicContact CD1-CD2 4.34Å; F470-L478 HydrophobicContact CD2-CB 3.95Å; F470-L478 HydrophobicContact CD2-CD2 3.87Å; F470-L478 HydrophobicContact CD2-CG 4.43Å; F470-L478 HydrophobicContact CE2-CB 3.82Å; F470-L478 HydrophobicContact CE2-CD2 4.07Å; F470-L478 HydrophobicContact CG-CD2 4.01Å; F470-L478 HydrophobicContact CZ-CD2 4.4Å; F470-F484 HydrophobicContact CD1-CZ 4.43Å; F470-M490 HydrophobicContact CD1-CB 4.05Å; F470-M490 HydrophobicContact CD1-CG 4.3Å; F470-M490 HydrophobicContact CD1-SD 4.35Å; F470-M490 HydrophobicContact CE1-CB 4.18Å; F470-A492 HydrophobicContact CZ-CB 3.99Å
471	S	88.4	Confident	93.3	Very high	73 Å²	73	19.1 Å²	19.1	51%	0.51	11%	0.106	S	C	.	.	H	α-helix	trans	-66	-37.4	173.9	50.1	0	0	0	0	112.9	E467 I468 G473	E467-S471 PolarHBondContact O-N 3.08Å; E467-S471 PolarHBondContact O-OG 3.01Å; I468-S471 PolarHBondContact O-N 3.44Å; I468-S471 VanDerWaalsContact O-N 3.14Å; I468-S471 PolarHBondContact O-OG 2.82Å; S471-G473 PolarHBondContact O-N 2.93Å; S471-G473 VanDerWaalsContact O-N 3.17Å
472	E	90.9	Very high	93.2	Very high	130 Å²	130	20.4 Å²	20.4	61%	0.607	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-0.2	172.1	-61.6	-51.4	130.9	0	0	113.2	I468 L474	I468-E472 WeakPolarHBondContact O-CG 3.49Å; I468-E472 PolarHBondContact O-N 3.09Å; E472-L474 HydrophobicContact CB-CD1 4.1Å; E472-L474 HydrophobicContact CB-CG 4.1Å; E472-L474 PolarHBondContact O-N 2.93Å; E472-L474 VanDerWaalsContact O-N 3.15Å
473	G	92.8	Very high	92.7	Very high	28 Å²	28	23.8 Å²	23.8	29%	0.289	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	10.2	179.4	0	0	0	0	0	114.8	F470 S471 I475 K476	F470-G473 PolarHBondContact O-N 3.34Å; F470-G473 VanDerWaalsContact O-N 3.08Å; S471-G473 PolarHBondContact O-N 2.93Å; S471-G473 VanDerWaalsContact O-N 3.17Å; G473-I475 VanDerWaalsContact C-N 3.27Å; G473-I475 PolarHBondContact O-N 3.02Å; G473-K476 WeakPolarHBondContact O-CE 3.48Å; G473-K476 PolarHBondContact O-NZ 3.12Å
474	L	96.5	Very high	92.6	Very high	11 Å²	11	22 Å²	22	6%	0.058	13%	0.125	C	C	.	.			trans	-74.2	-17.1	178.3	-63.8	171.9	0	0	0	112.6	N411 E415 M418 V419 L469 E472	N411-L474 PolarHBondContact ND2-O 3.16Å; N411-L474 PolarHBondContact OD1-O 3.48Å; E415-L474 HydrophobicContact CB-CD2 3.96Å; E415-L474 HydrophobicContact CG-CD2 3.95Å; M418-L474 HydrophobicContact CB-CD1 4.1Å; M418-L474 HydrophobicContact CB-CD2 4.18Å; M418-L474 HydrophobicContact CE-CD2 4.07Å; V419-L474 HydrophobicContact CG2-CB 3.8Å; V419-L474 HydrophobicContact CG2-CD1 4.15Å; V419-L474 HydrophobicContact CG2-CG 4.38Å; L469-L474 HydrophobicContact CD2-CB 4.27Å; L469-L474 HydrophobicContact CD2-CD1 3.62Å; L469-L474 WeakPolarHBondContact O-CA 3.42Å; L469-L474 WeakPolarHBondContact O-CB 3.45Å; L469-L474 PolarHBondContact O-N 3.25Å; E472-L474 HydrophobicContact CB-CD1 4.1Å; E472-L474 HydrophobicContact CB-CG 4.1Å; E472-L474 PolarHBondContact O-N 2.93Å; E472-L474 VanDerWaalsContact O-N 3.15Å
475	I	97.2	Very high	92.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.123	C	C	.	.			trans	-103.9	115	170.3	-65.9	171.9	0	0	0	109.6	L447 I466 L469 F470 G473 A477 L478	L447-I475 HydrophobicContact CD2-CD1 3.89Å; I466-I475 HydrophobicContact CB-CD1 4.4Å; I466-I475 HydrophobicContact CG2-CD1 3.9Å; L469-I475 HydrophobicContact CB-CD1 3.63Å; L469-I475 HydrophobicContact CB-CG1 3.95Å; L469-I475 PolarHBondContact O-N 3.29Å; L469-I475 VanDerWaalsContact O-N 3.09Å; F470-I475 HydrophobicContact CB-CB 4.49Å; F470-I475 HydrophobicContact CD2-CB 4.06Å; F470-I475 HydrophobicContact CD2-CG2 3.97Å; G473-I475 VanDerWaalsContact C-N 3.27Å; G473-I475 PolarHBondContact O-N 3.02Å; I475-A477 WeakPolarHBondContact CG2-O 3.27Å; I475-L478 HydrophobicContact CG2-CB 4.24Å
476	K	96.7	Very high	91.2	Very high	26 Å²	26	24.2 Å²	24.2	11%	0.113	14%	0.137	C	C	.	.	S	Bend	trans	-86.6	-30.3	179.8	-43.6	-54.4	178.5	-176.1	0	112.2	M381 Q386 P387 V388 F410 N411 E415 G450 G473	M381-K476 HydrophobicContact CE-CB 3.63Å; M381-K476 HydrophobicContact SD-CB 4.05Å; Q386-K476 HydrophobicContact CB-CB 4.45Å; P387-K476 CarbonylContact C-O 3.6Å; P387-K476 WeakPolarHBondContact CA-O 3.37Å; V388-K476 WeakPolarHBondContact CG1-O 3.37Å; V388-K476 PolarHBondContact N-O 3.16Å; F410-K476 HydrophobicContact CB-CB 3.99Å; F410-K476 HydrophobicContact CB-CG 3.69Å; N411-K476 VanDerWaalsContact OD1-CE 3.24Å; N411-K476 WeakPolarHBondContact OD1-CE 3.32Å; E415-K476 WeakPolarHBondContact OE1-CE 3.31Å; E415-K476 IonicContact OE1-NZ 3.08Å; E415-K476 PolarHBondContact OE1-NZ 2.72Å; G450-K476 PolarHBondContact O-N 2.71Å; G473-K476 WeakPolarHBondContact O-CE 3.48Å; G473-K476 PolarHBondContact O-NZ 3.12Å
477	A	96.9	Very high	89.6	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	116.5	178.5	0	0	0	0	0	111.6	V377 M381 V388 I390 F410 G450 I451 G452 I475 F479	V377-A477 HydrophobicContact CG1-CB 4.39Å; M381-A477 HydrophobicContact CE-CB 3.75Å; V388-A477 HydrophobicContact CG1-CB 3.97Å; V388-A477 WeakPolarHBondContact O-CA 3.48Å; I390-A477 HydrophobicContact CD1-CB 4.05Å; F410-A477 HydrophobicContact CE2-CB 4.24Å; G450-A477 PolarHBondContact O-N 2.9Å; I451-A477 WeakPolarHBondContact CA-O 3.25Å; G452-A477 PolarHBondContact N-O 3Å; I475-A477 WeakPolarHBondContact CG2-O 3.27Å; A477-F479 HydrophobicContact CB-CE2 4.34Å
478	L	97	Very high	88.5	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.3	-178.6	-177.6	62.8	0	0	0	111	V388 I389 I390 H454 I466 F470 I475 A480 F484	V388-L478 PolarHBondContact O-N 3.24Å; I389-L478 CarbonylContact C-O 3.56Å; I389-L478 WeakPolarHBondContact CA-O 3.11Å; I390-L478 PolarHBondContact N-O 2.89Å; H454-L478 HydrophobicContact CB-CD1 4.14Å; I466-L478 HydrophobicContact CG2-CD1 3.65Å; F470-L478 HydrophobicContact CD1-CD2 4.34Å; F470-L478 HydrophobicContact CD2-CB 3.95Å; F470-L478 HydrophobicContact CD2-CD2 3.87Å; F470-L478 HydrophobicContact CD2-CG 4.43Å; F470-L478 HydrophobicContact CE2-CB 3.82Å; F470-L478 HydrophobicContact CE2-CD2 4.07Å; F470-L478 HydrophobicContact CG-CD2 4.01Å; F470-L478 HydrophobicContact CZ-CD2 4.4Å; I475-L478 HydrophobicContact CG2-CB 4.24Å; L478-A480 PolarHBondContact O-N 3.25Å; L478-F484 HydrophobicContact CD2-CD1 4.33Å; L478-F484 HydrophobicContact CD2-CD2 4.49Å; L478-F484 HydrophobicContact CD2-CE1 3.71Å; L478-F484 HydrophobicContact CD2-CE2 3.9Å; L478-F484 HydrophobicContact CD2-CZ 3.46Å; L478-F484 VanDerWaalsContact CD2-CZ 3.46Å
479	F	96.4	Very high	87.7	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	106.6	176.9	-70.4	-88.4	0	0	0	110.5	V373 V377 I390 C398 A402 M405 I451 G452 I453 H454 A477	V373-F479 HydrophobicContact CG1-CE1 4.13Å; V377-F479 HydrophobicContact CG2-CZ 4.37Å; I390-F479 HydrophobicContact CB-CD1 3.68Å; I390-F479 HydrophobicContact CB-CE1 3.79Å; I390-F479 HydrophobicContact CB-CG 4.35Å; I390-F479 HydrophobicContact CD1-CD1 4.27Å; I390-F479 HydrophobicContact CD1-CD2 4.32Å; I390-F479 HydrophobicContact CD1-CE1 4Å; I390-F479 HydrophobicContact CD1-CE2 4.05Å; I390-F479 HydrophobicContact CD1-CG 4.41Å; I390-F479 HydrophobicContact CD1-CZ 3.87Å; I390-F479 HydrophobicContact CG1-CD1 4.16Å; I390-F479 HydrophobicContact CG1-CE1 3.8Å; I390-F479 HydrophobicContact CG1-CZ 4.11Å; I390-F479 HydrophobicContact CG2-CD1 3.77Å; I390-F479 HydrophobicContact CG2-CE1 3.73Å; C398-F479 HydrophobicContact CB-CB 4.42Å; A402-F479 HydrophobicContact CB-CB 4.27Å; A402-F479 HydrophobicContact CB-CD2 3.67Å; A402-F479 HydrophobicContact CB-CE2 4.28Å; A402-F479 HydrophobicContact CB-CG 3.98Å; M405-F479 HydrophobicContact CB-CE2 4.48Å; M405-F479 HydrophobicContact CE-CZ 4.08Å; M405-F479 HydrophobicContact CG-CE2 3.61Å; M405-F479 HydrophobicContact CG-CZ 3.4Å; M405-F479 VanDerWaalsContact CG-CZ 3.4Å; M405-F479 HydrophobicContact SD-CZ 4.24Å; I451-F479 HydrophobicContact CG2-CD2 4.2Å; I451-F479 HydrophobicContact CG2-CE2 4.17Å; G452-F479 PolarHBondContact O-N 2.68Å; I453-F479 CarbonylContact C-O 3.51Å; I453-F479 WeakPolarHBondContact CA-O 3.3Å; H454-F479 PolarHBondContact N-O 2.88Å; A477-F479 HydrophobicContact CB-CE2 4.34Å
480	A	94.9	Very high	87.1	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	146.3	-166.4	0	0	0	0	0	113.7	I389 I390 F391 S392 H454 L478 F484	I389-A480 HydrophobicContact CG2-CB 3.99Å; I390-A480 PolarHBondContact O-N 3.3Å; F391-A480 VanDerWaalsContact CA-O 3.31Å; F391-A480 WeakPolarHBondContact CA-O 3.46Å; F391-A480 HydrophobicContact CD1-CB 4.1Å; F391-A480 HydrophobicContact CE1-CB 4.08Å; S392-A480 PolarHBondContact N-O 3.08Å; H454-A480 HydrophobicContact CB-CB 4.34Å; H454-A480 CarbonylContact O-C 3.55Å; H454-A480 VanDerWaalsContact O-CA 3.25Å; H454-A480 WeakPolarHBondContact O-CA 3.37Å; L478-A480 PolarHBondContact O-N 3.25Å; A480-F484 HydrophobicContact CB-CB 3.9Å; A480-F484 HydrophobicContact CB-CD1 4.33Å; A480-F484 HydrophobicContact CB-CG 4.22Å
481	T	92.1	Very high	86.9	Confident	14 Å²	14	28.9 Å²	28.9	9%	0.086	17%	0.168	C	C	.	.			trans	-80.1	156.6	157.3	50.4	0	0	0	0	111.1	S392 H454 H455 T483 F484	S392-T481 WeakPolarHBondContact O-CA 3.31Å; H454-T481 PolarHBondContact O-N 3.46Å; H455-T481 VanDerWaalsContact CA-OG1 3.3Å; H455-T481 WeakPolarHBondContact CA-OG1 3.27Å; H455-T481 HydrophobicContact CB-CG2 3.63Å; H455-T481 VanDerWaalsContact CB-OG1 3.26Å; H455-T481 WeakPolarHBondContact CB-OG1 3.39Å; T481-T483 PolarHBondContact O-N 3.26Å; T481-T483 PolarHBondContact OG1-OG1 3.4Å; T481-F484 WeakPolarHBondContact O-CB 3.38Å; T481-F484 PolarHBondContact O-N 2.93Å
482	E	86.9	Confident	87.2	Confident	33 Å²	33	25.4 Å²	25.4	15%	0.154	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-42	-34.4	175	-179.4	174.4	-158.3	0	0	114.9	F484 A485 M486 K502 M519	E482-F484 PolarHBondContact O-N 3.33Å; E482-A485 WeakPolarHBondContact O-CB 3.4Å; E482-A485 PolarHBondContact O-N 3.42Å; E482-M486 PolarHBondContact O-N 3.48Å; E482-K502 IonicContact OE1-NZ 2.84Å; E482-K502 PolarHBondContact OE1-NZ 3.48Å; E482-K502 VanDerWaalsContact OE2-CE 3.25Å; E482-K502 WeakPolarHBondContact OE2-CE 3.41Å; E482-K502 IonicContact OE2-NZ 3.68Å; E482-K502 PolarHBondContact OE2-NZ 3.29Å; E482-M519 HydrophobicContact CB-SD 4.28Å; E482-M519 HydrophobicContact CG-CE 4.2Å; E482-M519 HydrophobicContact CG-SD 4.1Å
483	T	83.6	Confident	87.5	Confident	74 Å²	74	21.5 Å²	21.5	45%	0.454	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-54.7	-23.9	174.9	51.2	0	0	0	0	114.7	T481 M486 G487	T481-T483 PolarHBondContact O-N 3.26Å; T481-T483 PolarHBondContact OG1-OG1 3.4Å; T483-M486 CarbonylContact O-C 3.58Å; T483-M486 PolarHBondContact O-N 3.45Å; T483-G487 PolarHBondContact O-N 2.92Å; T483-G487 VanDerWaalsContact O-N 3.13Å
484	F	87.6	Confident	87.7	Confident	3 Å²	3	20.1 Å²	20.1	1%	0.013	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-69.8	-39.7	173	-173.9	-103.3	0	0	0	111.8	I389 F391 H454 E467 F470 L478 A480 T481 E482 M486 G487 M490	I389-F484 HydrophobicContact CD1-CD1 4.33Å; I389-F484 HydrophobicContact CD1-CE1 3.78Å; I389-F484 HydrophobicContact CG1-CE1 4.2Å; I389-F484 HydrophobicContact CG2-CD1 4.39Å; F391-F484 HydrophobicContact CE1-CB 4.31Å; F391-F484 HydrophobicContact CE1-CD1 4.48Å; H454-F484 HydrophobicContact CB-CD2 4.31Å; H454-F484 AromaticContact CD2-CD2 3.67Å; H454-F484 AromaticContact CD2-CE2 3.98Å; H454-F484 AromaticContact CE1-CD2 3.78Å; H454-F484 AromaticContact CG-CD2 3.65Å; H454-F484 AromaticContact ND1-CD2 3.77Å; H454-F484 AromaticContact NE2-CD2 3.74Å; E467-F484 HydrophobicContact CG-CE2 4.43Å; F470-F484 HydrophobicContact CD1-CZ 4.43Å; L478-F484 HydrophobicContact CD2-CD1 4.33Å; L478-F484 HydrophobicContact CD2-CD2 4.49Å; L478-F484 HydrophobicContact CD2-CE1 3.71Å; L478-F484 HydrophobicContact CD2-CE2 3.9Å; L478-F484 HydrophobicContact CD2-CZ 3.46Å; L478-F484 VanDerWaalsContact CD2-CZ 3.46Å; A480-F484 HydrophobicContact CB-CB 3.9Å; A480-F484 HydrophobicContact CB-CD1 4.33Å; A480-F484 HydrophobicContact CB-CG 4.22Å; T481-F484 WeakPolarHBondContact O-CB 3.38Å; T481-F484 PolarHBondContact O-N 2.93Å; E482-F484 PolarHBondContact O-N 3.33Å; F484-M486 PolarHBondContact O-N 3.17Å; F484-G487 PolarHBondContact O-N 3.08Å; F484-G487 VanDerWaalsContact O-N 3.15Å; F484-M490 HydrophobicContact CE1-CB 4.17Å; F484-M490 HydrophobicContact CE2-CB 4.46Å; F484-M490 HydrophobicContact CE2-SD 4.19Å; F484-M490 HydrophobicContact CZ-CB 3.61Å; F484-M490 HydrophobicContact CZ-CG 4.42Å; F484-M490 HydrophobicContact CZ-SD 4.07Å
485	A	81	Confident	87.7	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.008	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.6	173.8	0	0	0	0	0	112.5	F391 E482 Q518 M519 R522	F391-A485 HydrophobicContact CE1-CB 3.96Å; F391-A485 HydrophobicContact CZ-CB 3.71Å; E482-A485 WeakPolarHBondContact O-CB 3.4Å; E482-A485 PolarHBondContact O-N 3.42Å; A485-Q518 HydrophobicContact CB-CG 4.48Å; A485-M519 HydrophobicContact CB-CB 4.38Å; A485-M519 HydrophobicContact CB-CG 3.65Å; A485-R522 HydrophobicContact CB-CG 4.44Å; A485-R522 PolarHBondContact O-NE 3.44Å; A485-R522 PolarHBondContact O-NH2 3.19Å
486	M	71.4	Confident	87.7	Confident	59 Å²	59	19.6 Å²	19.6	29%	0.291	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-6.6	176.9	-62.6	-176	77.6	0	0	114.5	I190 Y255 E482 T483 F484	I190-M486 WeakPolarHBondContact CD1-O 3.14Å; Y255-M486 HydrophobicContact CE1-CE 3.99Å; Y255-M486 WeakPolarHBondContact OH-CA 3.18Å; Y255-M486 VanDerWaalsContact OH-CB 3.27Å; Y255-M486 WeakPolarHBondContact OH-CB 3.37Å; Y255-M486 PolarHBondContact OH-O 3.34Å; E482-M486 PolarHBondContact O-N 3.48Å; T483-M486 CarbonylContact O-C 3.58Å; T483-M486 PolarHBondContact O-N 3.45Å; F484-M486 PolarHBondContact O-N 3.17Å
487	G	61.2	Low	87.7	Confident	14 Å²	14	18.4 Å²	18.4	14%	0.144	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-55.7	-162.1	0	0	0	0	0	115.9	T483 F484	T483-G487 PolarHBondContact O-N 2.92Å; T483-G487 VanDerWaalsContact O-N 3.13Å; F484-G487 PolarHBondContact O-N 3.08Å; F484-G487 VanDerWaalsContact O-N 3.15Å
488	I	68.3	Low	87.5	Confident	7 Å²	7	19.2 Å²	19.2	4%	0.036	11%	0.107	C	C	.	.			trans	-145.1	153	-156.8	-68.9	179.8	0	0	0	109.6	E467 M490 R522	E467-I488 HydrophobicContact CG-CD1 3.93Å; E467-I488 WeakPolarHBondContact OE2-CD1 3.38Å; I488-M490 VanDerWaalsContact C-N 3.28Å; I488-M490 HydrophobicContact CG2-CB 4.39Å; I488-M490 HydrophobicContact CG2-CE 3.85Å; I488-M490 HydrophobicContact CG2-CG 3.78Å; I488-M490 HydrophobicContact CG2-SD 3.72Å; I488-M490 PolarHBondContact O-N 3.35Å; I488-R522 VanDerWaalsContact O-CZ 3.3Å; I488-R522 PolarHBondContact O-NH1 3.01Å; I488-R522 VanDerWaalsContact O-NH1 3.11Å; I488-R522 PolarHBondContact O-NH2 3.41Å
489	N	72.1	Confident	87.1	Confident	68 Å²	68	20.9 Å²	20.9	36%	0.364	12%	0.116	S	C	.	.			trans	-81.3	64.8	177.9	-167.6	34.4	0	0	0	113.9	P491	N489-P491 VanDerWaalsContact O-CD 3.29Å; N489-P491 WeakPolarHBondContact O-CD 3.21Å
490	M	83.5	Confident	86.6	Confident	17 Å²	17	21 Å²	21	8%	0.084	12%	0.116	C	C	.	.			trans	-112.7	94.1	178.6	-81	170.4	-175.6	0	0	112.3	E467 F470 F484 I488	E467-M490 HydrophobicContact CB-CE 3.81Å; E467-M490 HydrophobicContact CB-SD 3.87Å; E467-M490 HydrophobicContact CG-SD 4.26Å; E467-M490 WeakPolarHBondContact O-CE 3.44Å; F470-M490 HydrophobicContact CD1-CB 4.05Å; F470-M490 HydrophobicContact CD1-CG 4.3Å; F470-M490 HydrophobicContact CD1-SD 4.35Å; F470-M490 HydrophobicContact CE1-CB 4.18Å; F484-M490 HydrophobicContact CE1-CB 4.17Å; F484-M490 HydrophobicContact CE2-CB 4.46Å; F484-M490 HydrophobicContact CE2-SD 4.19Å; F484-M490 HydrophobicContact CZ-CB 3.61Å; F484-M490 HydrophobicContact CZ-CG 4.42Å; F484-M490 HydrophobicContact CZ-SD 4.07Å; I488-M490 VanDerWaalsContact C-N 3.28Å; I488-M490 HydrophobicContact CG2-CB 4.39Å; I488-M490 HydrophobicContact CG2-CE 3.85Å; I488-M490 HydrophobicContact CG2-CG 3.78Å; I488-M490 HydrophobicContact CG2-SD 3.72Å; I488-M490 PolarHBondContact O-N 3.35Å
491	P	90.1	Very high	86.1	Confident	49 Å²	49	22.1 Å²	22.1	32%	0.318	12%	0.12	S	C	.	.			trans	-81.9	156.1	174.8	32.8	-34.6	0	0	0	112.9	N489 R522 R525	N489-P491 VanDerWaalsContact O-CD 3.29Å; N489-P491 WeakPolarHBondContact O-CD 3.21Å; P491-R522 CarbonylContact C-O 3.59Å; P491-R522 WeakPolarHBondContact CA-O 3.41Å; P491-R525 HydrophobicContact CB-CG 3.95Å; P491-R525 HydrophobicContact CG-CG 4.02Å
492	A	94.4	Very high	85.7	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-130.9	165.5	179.6	0	0	0	0	0	111.1	P387 I389 F470 R522 A523 G524	P387-A492 HydrophobicContact CG-CB 4.43Å; I389-A492 HydrophobicContact CD1-CB 3.57Å; I389-A492 HydrophobicContact CG1-CB 3.72Å; F470-A492 HydrophobicContact CZ-CB 3.99Å; A492-R522 PolarHBondContact N-O 3.44Å; A492-A523 CarbonylContact O-C 3.53Å; A492-A523 WeakPolarHBondContact O-CA 3.17Å; A492-G524 PolarHBondContact O-N 2.68Å
493	R	95.9	Very high	85.3	Confident	47 Å²	47	24.2 Å²	24.2	18%	0.177	13%	0.128	C	C	.	.	S	Bend	trans	-71.4	-39.1	173	-174.7	166.7	-163.2	175	20.5	111.5	N384 Q386 P387 D529 D530 I533	N384-R493 PolarHBondContact O-NH1 3.25Å; Q386-R493 WeakPolarHBondContact O-CB 3.44Å; Q386-R493 WeakPolarHBondContact O-CD 3.28Å; P387-R493 PolarHBondContact O-N 2.94Å; R493-D529 WeakPolarHBondContact CA-OD2 2.98Å; R493-D529 WeakPolarHBondContact CD-OD1 3.46Å; R493-D529 HydrophobicContact CG-CB 4.49Å; R493-D529 VanDerWaalsContact CG-OD1 3.27Å; R493-D529 WeakPolarHBondContact CG-OD1 3.24Å; R493-D529 IonicContact NE-OD1 3.53Å; R493-D529 PolarHBondContact NE-OD1 3.23Å; R493-D530 IonicContact NH2-OD2 2.71Å; R493-I533 PolarHBondContact O-N 3.26Å
494	T	97.6	Very high	84.6	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.2	-178.1	-56	0	0	0	0	112.4	I380 F385 P387 V388 I389 I533 I535	I380-T494 HydrophobicContact CD1-CG2 3.84Å; I380-T494 HydrophobicContact CG1-CG2 4.43Å; F385-T494 WeakPolarHBondContact O-CB 3.4Å; F385-T494 PolarHBondContact O-OG1 3.48Å; P387-T494 PolarHBondContact O-N 2.8Å; P387-T494 VanDerWaalsContact O-N 3.09Å; V388-T494 VanDerWaalsContact CA-O 3.3Å; V388-T494 WeakPolarHBondContact CA-O 3.43Å; V388-T494 HydrophobicContact CG2-CG2 4.02Å; I389-T494 PolarHBondContact N-O 3.35Å; T494-I533 CarbonylContact C-O 3.58Å; T494-I533 VanDerWaalsContact CA-O 3.25Å; T494-I533 WeakPolarHBondContact CA-O 3.35Å; T494-I533 HydrophobicContact CG2-CB 4.14Å; T494-I533 HydrophobicContact CG2-CG2 4.05Å; T494-I535 HydrophobicContact CG2-CD1 4.19Å
495	V	97.4	Very high	83.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.2	166.9	171.5	0	0	0	0	109.5	I389 F391 F497 R522 A523 I533 V534 I535	I389-V495 CarbonylContact O-C 3.55Å; I389-V495 WeakPolarHBondContact O-CA 3.17Å; F391-V495 HydrophobicContact CD2-CG1 3.61Å; F391-V495 HydrophobicContact CE2-CG1 3.75Å; F391-V495 HydrophobicContact CE2-CG2 4.45Å; V495-F497 HydrophobicContact CG1-CD2 4.09Å; V495-F497 HydrophobicContact CG1-CE2 3.72Å; V495-F497 HydrophobicContact CG1-CZ 4.36Å; V495-R522 HydrophobicContact CG2-CB 4.1Å; V495-A523 HydrophobicContact CB-CB 4.25Å; V495-A523 HydrophobicContact CG2-CB 3.83Å; V495-I533 PolarHBondContact N-O 3.21Å; V495-V534 CarbonylContact O-C 3.56Å; V495-V534 WeakPolarHBondContact O-CA 3.36Å; V495-I535 PolarHBondContact O-N 2.83Å
496	L	97.2	Very high	82.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.3	176.7	173.6	61.6	0	0	0	109.8	V373 I376 V377 V388 I389 I390 F391 I535 M537	V373-L496 HydrophobicContact CG1-CD2 4.49Å; I376-L496 HydrophobicContact CB-CD2 4.39Å; I376-L496 HydrophobicContact CD1-CD1 4.32Å; I376-L496 HydrophobicContact CG2-CD1 3.98Å; I376-L496 HydrophobicContact CG2-CD2 3.87Å; V377-L496 HydrophobicContact CG2-CD2 4.21Å; V388-L496 HydrophobicContact CG2-CB 4.24Å; I389-L496 PolarHBondContact O-N 3.15Å; I390-L496 CarbonylContact C-O 3.51Å; I390-L496 WeakPolarHBondContact CA-O 3.41Å; I390-L496 HydrophobicContact CG1-CB 4.26Å; I390-L496 HydrophobicContact CG1-CD2 3.98Å; I390-L496 HydrophobicContact CG2-CB 4.43Å; I390-L496 HydrophobicContact CG2-CD2 3.97Å; I390-L496 HydrophobicContact CG2-CG 4.15Å; F391-L496 PolarHBondContact N-O 3.29Å; L496-I535 CarbonylContact C-O 3.5Å; L496-I535 WeakPolarHBondContact CA-O 3.31Å; L496-I535 HydrophobicContact CD1-CB 3.77Å; L496-I535 HydrophobicContact CD1-CG2 3.51Å; L496-M537 HydrophobicContact CD1-CG 3.86Å; L496-M537 HydrophobicContact CD1-SD 4.04Å
497	F	96	Very high	82.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.2	168.7	-64.1	-104.8	0	0	0	108.8	V495 N499 I511 Y516 M519 V534 I535 L536 M537	V495-F497 HydrophobicContact CG1-CD2 4.09Å; V495-F497 HydrophobicContact CG1-CE2 3.72Å; V495-F497 HydrophobicContact CG1-CZ 4.36Å; F497-N499 VanDerWaalsContact C-N 3.28Å; F497-N499 PolarHBondContact O-N 3.42Å; F497-I511 HydrophobicContact CD1-CD1 4.13Å; F497-I511 HydrophobicContact CE1-CD1 4.05Å; F497-Y516 HydrophobicContact CD2-CE2 4.01Å; F497-Y516 AromaticContact CE1-CD2 3.84Å; F497-Y516 HydrophobicContact CE1-CD2 3.84Å; F497-Y516 HydrophobicContact CE1-CE2 4.26Å; F497-Y516 AromaticContact CE2-CD2 3.81Å; F497-Y516 HydrophobicContact CE2-CD2 3.81Å; F497-Y516 AromaticContact CE2-CE2 3.42Å; F497-Y516 HydrophobicContact CE2-CE2 3.42Å; F497-Y516 VanDerWaalsContact CE2-CE2 3.42Å; F497-Y516 AromaticContact CZ-CD2 3.4Å; F497-Y516 HydrophobicContact CZ-CD2 3.4Å; F497-Y516 AromaticContact CZ-CE2 3.55Å; F497-Y516 HydrophobicContact CZ-CE2 3.55Å; F497-Y516 HydrophobicContact CZ-CG 4.4Å; F497-M519 HydrophobicContact CD1-SD 4.35Å; F497-M519 HydrophobicContact CE1-CB 3.53Å; F497-M519 HydrophobicContact CE1-CE 3.98Å; F497-M519 HydrophobicContact CE1-CG 4.25Å; F497-M519 HydrophobicContact CE1-SD 3.76Å; F497-M519 HydrophobicContact CZ-CB 3.46Å; F497-M519 VanDerWaalsContact CZ-CB 3.46Å; F497-V534 HydrophobicContact CD2-CG1 4.24Å; F497-V534 HydrophobicContact CE2-CG1 3.73Å; F497-I535 PolarHBondContact N-O 3.28Å; F497-L536 HydrophobicContact CB-CD1 3.67Å; F497-L536 HydrophobicContact CD2-CD1 4.45Å; F497-L536 HydrophobicContact CG-CD1 4.03Å; F497-M537 VanDerWaalsContact O-CB 3.27Å; F497-M537 WeakPolarHBondContact O-CB 3.28Å; F497-M537 WeakPolarHBondContact O-CG 3.32Å; F497-M537 PolarHBondContact O-N 2.87Å
498	T	92.1	Very high	83.2	Confident	18 Å²	18	32.6 Å²	32.6	11%	0.11	17%	0.173	C	C	.	.	S	Bend	trans	-75.9	-16.1	178.7	59	0	0	0	0	113.8	V373 I390 F391 S392 Y401	V373-T498 HydrophobicContact CG2-CG2 4.18Å; I390-T498 HydrophobicContact CG2-CG2 3.44Å; I390-T498 VanDerWaalsContact CG2-CG2 3.44Å; F391-T498 PolarHBondContact O-N 3.46Å; F391-T498 PolarHBondContact O-OG1 3.46Å; F391-T498 VanDerWaalsContact O-OG1 3.11Å; S392-T498 WeakPolarHBondContact CB-OG1 3.44Å; S392-T498 VanDerWaalsContact OG-CG2 3.28Å; S392-T498 WeakPolarHBondContact OG-CG2 3.36Å; S392-T498 PolarHBondContact OG-OG1 2.85Å; Y401-T498 HydrophobicContact CD2-CG2 4.1Å; Y401-T498 HydrophobicContact CE2-CG2 3.91Å
499	N	88.4	Confident	84	Confident	35 Å²	35	36.2 Å²	36.2	19%	0.187	19%	0.186	C	C	.	.			trans	-151.9	152.1	178.2	-168.3	-6.7	0	0	0	109.9	F393 F497 R501	F393-N499 HydrophobicContact CE2-CB 4.39Å; F497-N499 VanDerWaalsContact C-N 3.28Å; F497-N499 PolarHBondContact O-N 3.42Å; N499-R501 VanDerWaalsContact CG-O 3.29Å; N499-R501 PolarHBondContact ND2-O 3.36Å; N499-R501 VanDerWaalsContact ND2-O 3.13Å; N499-R501 PolarHBondContact OD1-N 3.41Å
500	A	87.5	Confident	84.8	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.008	18%	0.179	C	C	.	.	S	Bend	trans	-96.7	-8.9	174.1	0	0	0	0	0	113.7	W510 I511 L536 M537 V538 M542	A500-W510 HydrophobicContact CB-CE3 4.03Å; A500-W510 HydrophobicContact CB-CZ3 3.88Å; A500-I511 PolarHBondContact O-N 2.96Å; A500-L536 HydrophobicContact CB-CD1 3.81Å; A500-L536 HydrophobicContact CB-CD2 4.27Å; A500-L536 HydrophobicContact CB-CG 4.17Å; A500-M537 PolarHBondContact N-O 2.8Å; A500-V538 HydrophobicContact CB-CG2 4.29Å; A500-M542 HydrophobicContact CB-CE 4.12Å
501	R	83.8	Confident	85.1	Confident	24 Å²	24	35.2 Å²	35.2	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.4	177.1	-63.1	-177.1	73.1	-158.6	-16.9	111.7	F393 N499 F508 R509 W510 E540 E704	F393-R501 WeakPolarHBondContact CD2-O 3.35Å; N499-R501 VanDerWaalsContact CG-O 3.29Å; N499-R501 PolarHBondContact ND2-O 3.36Å; N499-R501 VanDerWaalsContact ND2-O 3.13Å; N499-R501 PolarHBondContact OD1-N 3.41Å; R501-F508 PolarHBondContact NH2-O 2.92Å; R501-R509 CarbonylContact C-O 3.45Å; R501-R509 WeakPolarHBondContact CA-O 3.44Å; R501-R509 WeakPolarHBondContact CB-O 3.4Å; R501-W510 HydrophobicContact CG-CD2 3.68Å; R501-W510 HydrophobicContact CG-CE3 3.29Å; R501-W510 HydrophobicContact CG-CG 4.35Å; R501-W510 HydrophobicContact CG-CH2 4.1Å; R501-W510 HydrophobicContact CG-CZ2 4.42Å; R501-W510 HydrophobicContact CG-CZ3 3.53Å; R501-E540 WeakPolarHBondContact CD-OE2 3.41Å; R501-E540 IonicContact CZ-OE2 3.81Å; R501-E540 IonicContact NE-OE2 2.68Å; R501-E540 IonicContact NH1-OE1 3.7Å; R501-E540 IonicContact NH1-OE2 2.71Å; R501-E540 PolarHBondContact NH1-OE2 3.33Å; R501-E704 IonicContact CZ-OE1 2.71Å; R501-E704 IonicContact CZ-OE2 3.14Å; R501-E704 IonicContact NE-OE1 3.49Å; R501-E704 PolarHBondContact NE-OE1 2.99Å; R501-E704 IonicContact NH1-OE1 3.1Å; R501-E704 PolarHBondContact NH1-OE1 3.03Å; R501-E704 VanDerWaalsContact NH1-OE1 3.08Å; R501-E704 IonicContact NH1-OE2 3.63Å; R501-E704 PolarHBondContact NH1-OE2 3.4Å; R501-E704 IonicContact NH2-OE1 3.46Å; R501-E704 PolarHBondContact NH2-OE1 3.39Å; R501-E704 IonicContact NH2-OE2 2.74Å; R501-E704 PolarHBondContact NH2-OE2 2.98Å
502	K	84.6	Confident	85.1	Confident	33 Å²	33	34.3 Å²	34.3	14%	0.143	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.9	-175.8	174.4	177.5	169.9	-178.2	0	108.5	F393 E482 F508 R509 I511 E515	F393-K502 HydrophobicContact CB-CG 4.37Å; F393-K502 HydrophobicContact CD1-CB 4.36Å; F393-K502 HydrophobicContact CD1-CD 3.96Å; F393-K502 HydrophobicContact CD1-CG 4.13Å; F393-K502 HydrophobicContact CD2-CB 4.1Å; F393-K502 HydrophobicContact CE1-CD 4.28Å; F393-K502 HydrophobicContact CE2-CB 4.37Å; F393-K502 HydrophobicContact CG-CB 4.12Å; F393-K502 HydrophobicContact CG-CD 4.43Å; F393-K502 HydrophobicContact CG-CG 4.08Å; E482-K502 IonicContact OE1-NZ 2.84Å; E482-K502 PolarHBondContact OE1-NZ 3.48Å; E482-K502 VanDerWaalsContact OE2-CE 3.25Å; E482-K502 WeakPolarHBondContact OE2-CE 3.41Å; E482-K502 IonicContact OE2-NZ 3.68Å; E482-K502 PolarHBondContact OE2-NZ 3.29Å; K502-F508 WeakPolarHBondContact O-CA 3.31Å; K502-R509 PolarHBondContact N-O 3.43Å; K502-R509 PolarHBondContact O-N 2.63Å; K502-I511 HydrophobicContact CB-CG2 4.22Å; K502-E515 IonicContact NZ-OE1 2.79Å; K502-E515 PolarHBondContact NZ-OE1 3.29Å
503	F	76.9	Confident	84.9	Confident	59 Å²	59	34.6 Å²	34.6	26%	0.259	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.5	170.2	-175.3	-111.5	0	0	0	108.1	G505 K506 D507 F508	F503-G505 VanDerWaalsContact CZ-C 3.47Å; F503-G505 WeakPolarHBondContact CZ-O 3.38Å; F503-K506 WeakPolarHBondContact CE2-O 3.5Å; F503-D507 WeakPolarHBondContact CA-O 3.49Å; F503-D507 WeakPolarHBondContact CD2-O 3.39Å; F503-F508 HydrophobicContact CB-CD1 4.09Å; F503-F508 HydrophobicContact CB-CD2 4.45Å; F503-F508 HydrophobicContact CB-CE1 3.87Å; F503-F508 HydrophobicContact CB-CE2 4.25Å; F503-F508 HydrophobicContact CB-CG 4.38Å; F503-F508 HydrophobicContact CB-CZ 3.96Å; F503-F508 AromaticContact CD2-CD2 3.73Å; F503-F508 HydrophobicContact CD2-CD2 3.73Å; F503-F508 AromaticContact CD2-CE2 3.9Å; F503-F508 HydrophobicContact CD2-CE2 3.9Å; F503-F508 HydrophobicContact CD2-CG 4.17Å; F503-F508 HydrophobicContact CD2-CZ 4.47Å; F503-F508 HydrophobicContact CG-CD2 4.49Å; F503-F508 HydrophobicContact CG-CE2 4.35Å; F503-F508 HydrophobicContact CG-CZ 4.5Å
504	D	69.6	Low	84.5	Confident	82 Å²	82	32.6 Å²	32.6	44%	0.439	17%	0.167	S	C	.	.			trans	-92.4	-5.4	-177.2	56.4	31.2	0	0	0	114.1	K506 D507 R509	D504-K506 PolarHBondContact OD1-N 3.46Å; D504-D507 PolarHBondContact N-O 3.1Å; D504-D507 PolarHBondContact OD1-N 2.97Å; D504-R509 IonicContact OD2-NE 3.75Å
505	G	67.6	Low	84	Confident	49 Å²	49	33.7 Å²	33.7	51%	0.505	17%	0.172	S	C	.	.	S	Bend	trans	117.2	-25.6	-175.3	0	0	0	0	0	112.6	F503	F503-G505 VanDerWaalsContact CZ-C 3.47Å; F503-G505 WeakPolarHBondContact CZ-O 3.38Å
506	K	65.1	Low	83.8	Confident	119 Å²	119	33.8 Å²	33.8	52%	0.517	17%	0.173	S	C	.	.	S	Bend	trans	-116.3	-47	172.4	-174.2	177.7	176.3	168.2	0	112	F503 D504 E664	F503-K506 WeakPolarHBondContact CE2-O 3.5Å; D504-K506 PolarHBondContact OD1-N 3.46Å; K506-E664 WeakPolarHBondContact CE-OE2 3.34Å; K506-E664 IonicContact NZ-OE2 3.15Å; K506-E664 PolarHBondContact NZ-OE2 3.44Å
507	D	66.8	Low	83.5	Confident	53 Å²	53	35.9 Å²	35.9	28%	0.283	18%	0.184	S	C	.	.			trans	-128.5	157.1	-170.1	-81.9	-68.3	0	0	0	112.3	F503 D504 K715	F503-D507 WeakPolarHBondContact CA-O 3.49Å; F503-D507 WeakPolarHBondContact CD2-O 3.39Å; D504-D507 PolarHBondContact N-O 3.1Å; D504-D507 PolarHBondContact OD1-N 2.97Å; D507-K715 WeakPolarHBondContact OD1-CE 3.3Å; D507-K715 IonicContact OD1-NZ 3.34Å; D507-K715 PolarHBondContact OD1-NZ 2.72Å
508	F	72.4	Confident	83	Confident	23 Å²	23	37.7 Å²	37.7	10%	0.101	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.6	166.1	-93	-81.1	0	0	0	109.2	R501 K502 F503 E704 N708 A713	R501-F508 PolarHBondContact NH2-O 2.92Å; K502-F508 WeakPolarHBondContact O-CA 3.31Å; F503-F508 HydrophobicContact CB-CD1 4.09Å; F503-F508 HydrophobicContact CB-CD2 4.45Å; F503-F508 HydrophobicContact CB-CE1 3.87Å; F503-F508 HydrophobicContact CB-CE2 4.25Å; F503-F508 HydrophobicContact CB-CG 4.38Å; F503-F508 HydrophobicContact CB-CZ 3.96Å; F503-F508 AromaticContact CD2-CD2 3.73Å; F503-F508 HydrophobicContact CD2-CD2 3.73Å; F503-F508 AromaticContact CD2-CE2 3.9Å; F503-F508 HydrophobicContact CD2-CE2 3.9Å; F503-F508 HydrophobicContact CD2-CG 4.17Å; F503-F508 HydrophobicContact CD2-CZ 4.47Å; F503-F508 HydrophobicContact CG-CD2 4.49Å; F503-F508 HydrophobicContact CG-CE2 4.35Å; F503-F508 HydrophobicContact CG-CZ 4.5Å; F508-E704 HydrophobicContact CB-CG 4.49Å; F508-E704 HydrophobicContact CD1-CG 4.31Å; F508-E704 WeakPolarHBondContact CD1-OE1 3.29Å; F508-E704 HydrophobicContact CD2-CG 3.98Å; F508-E704 HydrophobicContact CE2-CG 4.19Å; F508-E704 HydrophobicContact CG-CG 4.03Å; F508-E704 WeakPolarHBondContact CG-OE1 3.49Å; F508-E704 HydrophobicContact CZ-CG 4.45Å; F508-N708 VanDerWaalsContact CE2-ND2 3.33Å; F508-N708 WeakPolarHBondContact CE2-ND2 3.39Å; F508-N708 WeakPolarHBondContact CZ-ND2 3.45Å; F508-A713 HydrophobicContact CE2-CB 4.13Å
509	R	84.9	Confident	83	Confident	84 Å²	84	37 Å²	37	32%	0.317	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	163.8	175.2	60.1	172	-176.7	77.6	-4.7	111.8	R501 K502 D504 E515	R501-R509 CarbonylContact C-O 3.45Å; R501-R509 WeakPolarHBondContact CA-O 3.44Å; R501-R509 WeakPolarHBondContact CB-O 3.4Å; K502-R509 PolarHBondContact N-O 3.43Å; K502-R509 PolarHBondContact O-N 2.63Å; D504-R509 IonicContact OD2-NE 3.75Å; R509-E515 IonicContact CZ-OE1 2.96Å; R509-E515 IonicContact CZ-OE2 3.67Å; R509-E515 IonicContact NH1-OE1 3.98Å; R509-E515 PolarHBondContact NH1-OE1 3.31Å; R509-E515 IonicContact NH1-OE2 2.84Å; R509-E515 PolarHBondContact NH1-OE2 3.06Å; R509-E515 IonicContact NH2-OE1 3.67Å; R509-E515 PolarHBondContact NH2-OE1 3.18Å; R509-E515 IonicContact NH2-OE2 3.24Å; R509-E515 PolarHBondContact NH2-OE2 3.1Å
510	W	88.1	Confident	83.2	Confident	57 Å²	57	35.4 Å²	35.4	22%	0.216	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	153.1	162.7	-56.9	100.5	0	0	0	109.3	A500 R501 E540 M542 I546	A500-W510 HydrophobicContact CB-CE3 4.03Å; A500-W510 HydrophobicContact CB-CZ3 3.88Å; R501-W510 HydrophobicContact CG-CD2 3.68Å; R501-W510 HydrophobicContact CG-CE3 3.29Å; R501-W510 HydrophobicContact CG-CG 4.35Å; R501-W510 HydrophobicContact CG-CH2 4.1Å; R501-W510 HydrophobicContact CG-CZ2 4.42Å; R501-W510 HydrophobicContact CG-CZ3 3.53Å; W510-E540 HydrophobicContact CH2-CB 4.44Å; W510-M542 HydrophobicContact CD2-CE 4.35Å; W510-M542 HydrophobicContact CE3-CE 3.5Å; W510-M542 HydrophobicContact CH2-CB 4.19Å; W510-M542 HydrophobicContact CH2-CE 4.02Å; W510-M542 HydrophobicContact CH2-CG 4.36Å; W510-M542 HydrophobicContact CZ3-CE 3.31Å; W510-I546 HydrophobicContact CD2-CG2 4.12Å; W510-I546 HydrophobicContact CG-CG2 4.03Å
511	I	91.1	Very high	83.3	Confident	6 Å²	6	35.9 Å²	35.9	3%	0.031	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-62.5	143.5	168	57.4	-176.5	0	0	0	110.4	F393 F497 A500 K502 E515 Y516 L550	F393-I511 HydrophobicContact CE1-CG2 4.13Å; F393-I511 HydrophobicContact CE2-CG2 4.14Å; F393-I511 HydrophobicContact CZ-CG2 3.56Å; F497-I511 HydrophobicContact CD1-CD1 4.13Å; F497-I511 HydrophobicContact CE1-CD1 4.05Å; A500-I511 PolarHBondContact O-N 2.96Å; K502-I511 HydrophobicContact CB-CG2 4.22Å; I511-E515 VanDerWaalsContact CA-OE2 3.28Å; I511-E515 WeakPolarHBondContact CA-OE2 3.37Å; I511-E515 HydrophobicContact CB-CB 4.37Å; I511-Y516 HydrophobicContact CD1-CD2 3.71Å; I511-Y516 HydrophobicContact CD1-CG 4.36Å; I511-L550 HydrophobicContact CD1-CD1 4.27Å; I511-L550 HydrophobicContact CD1-CD2 4.38Å; I511-L550 HydrophobicContact CD1-CG 4.45Å; I511-L550 HydrophobicContact CG1-CD1 3.69Å; I511-L550 HydrophobicContact CG1-CD2 4.46Å; I511-L550 HydrophobicContact CG1-CG 4Å
512	S	89.6	Confident	83.7	Confident	30 Å²	30	35.5 Å²	35.5	21%	0.21	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-70.8	163.3	176.6	83.5	0	0	0	0	111.1	G514 E515 Y516 D556	S512-G514 VanDerWaalsContact C-N 3.27Å; S512-G514 PolarHBondContact O-N 3.46Å; S512-G514 PolarHBondContact OG-N 2.71Å; S512-E515 PolarHBondContact N-OE2 3.08Å; S512-E515 PolarHBondContact O-N 3.34Å; S512-E515 WeakPolarHBondContact OG-CG 3.35Å; S512-E515 PolarHBondContact OG-N 2.97Å; S512-Y516 WeakPolarHBondContact O-CB 3.34Å; S512-Y516 PolarHBondContact O-N 2.87Å; S512-D556 WeakPolarHBondContact CB-OD2 3.23Å; S512-D556 PolarHBondContact OG-OD2 3.5Å
513	S	90.4	Very high	84.1	Confident	6 Å²	6	33.9 Å²	33.9	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-39.8	171.6	-51.3	0	0	0	0	110.9	I517 Q549 S554	S513-I517 WeakPolarHBondContact O-CB 3.33Å; S513-I517 WeakPolarHBondContact O-CD1 3.48Å; S513-I517 WeakPolarHBondContact O-CG1 3.35Å; S513-I517 PolarHBondContact O-N 2.83Å; S513-Q549 PolarHBondContact OG-NE2 2.82Å; S513-Q549 PolarHBondContact OG-O 3.05Å; S513-S554 WeakPolarHBondContact CB-O 3.43Å
514	G	86.6	Confident	84.9	Confident	5 Å²	5	31.1 Å²	31.1	5%	0.052	16%	0.164	C	C	.	.	H	α-helix	trans	-67.9	-45.8	175.3	0	0	0	0	0	114.2	S512 Y516 I517 Q518 D556	S512-G514 VanDerWaalsContact C-N 3.27Å; S512-G514 PolarHBondContact O-N 3.46Å; S512-G514 PolarHBondContact OG-N 2.71Å; G514-Y516 VanDerWaalsContact C-N 3.3Å; G514-Y516 PolarHBondContact O-N 3.33Å; G514-I517 PolarHBondContact O-N 2.92Å; G514-Q518 WeakPolarHBondContact O-CB 3.27Å; G514-Q518 PolarHBondContact O-N 3.36Å; G514-D556 WeakPolarHBondContact CA-OD2 3.38Å; G514-D556 PolarHBondContact N-OD2 2.97Å
515	E	88.6	Confident	85.9	Confident	23 Å²	23	29.7 Å²	29.7	11%	0.107	15%	0.153	C	C	.	.	H	α-helix	trans	-56.4	-46.5	173.8	-74	174.6	148.7	0	0	110.4	K502 R509 I511 S512 Q518 M519	K502-E515 IonicContact NZ-OE1 2.79Å; K502-E515 PolarHBondContact NZ-OE1 3.29Å; R509-E515 IonicContact CZ-OE1 2.96Å; R509-E515 IonicContact CZ-OE2 3.67Å; R509-E515 IonicContact NH1-OE1 3.98Å; R509-E515 PolarHBondContact NH1-OE1 3.31Å; R509-E515 IonicContact NH1-OE2 2.84Å; R509-E515 PolarHBondContact NH1-OE2 3.06Å; R509-E515 IonicContact NH2-OE1 3.67Å; R509-E515 PolarHBondContact NH2-OE1 3.18Å; R509-E515 IonicContact NH2-OE2 3.24Å; R509-E515 PolarHBondContact NH2-OE2 3.1Å; I511-E515 VanDerWaalsContact CA-OE2 3.28Å; I511-E515 WeakPolarHBondContact CA-OE2 3.37Å; I511-E515 HydrophobicContact CB-CB 4.37Å; S512-E515 PolarHBondContact N-OE2 3.08Å; S512-E515 PolarHBondContact O-N 3.34Å; S512-E515 WeakPolarHBondContact OG-CG 3.35Å; S512-E515 PolarHBondContact OG-N 2.97Å; E515-Q518 PolarHBondContact O-N 2.81Å; E515-M519 HydrophobicContact CB-CE 3.93Å; E515-M519 WeakPolarHBondContact O-CE 3.49Å; E515-M519 PolarHBondContact O-N 3.04Å; E515-M519 VanDerWaalsContact O-N 3.1Å
516	Y	92.7	Very high	86.8	Confident	2 Å²	2	32.6 Å²	32.6	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-45.6	177.7	-175.2	-107.1	0	0	0	112.3	H317 F497 I511 S512 G514 Q518 M519 S520 V534 L550 L551	H317-Y516 AromaticContact CE1-CE1 3.88Å; H317-Y516 AromaticContact ND1-CE1 3.55Å; H317-Y516 AromaticContact ND1-CZ 3.62Å; H317-Y516 PolarHBondContact ND1-OH 3.31Å; F497-Y516 HydrophobicContact CD2-CE2 4.01Å; F497-Y516 AromaticContact CE1-CD2 3.84Å; F497-Y516 HydrophobicContact CE1-CD2 3.84Å; F497-Y516 HydrophobicContact CE1-CE2 4.26Å; F497-Y516 AromaticContact CE2-CD2 3.81Å; F497-Y516 HydrophobicContact CE2-CD2 3.81Å; F497-Y516 AromaticContact CE2-CE2 3.42Å; F497-Y516 HydrophobicContact CE2-CE2 3.42Å; F497-Y516 VanDerWaalsContact CE2-CE2 3.42Å; F497-Y516 AromaticContact CZ-CD2 3.4Å; F497-Y516 HydrophobicContact CZ-CD2 3.4Å; F497-Y516 AromaticContact CZ-CE2 3.55Å; F497-Y516 HydrophobicContact CZ-CE2 3.55Å; F497-Y516 HydrophobicContact CZ-CG 4.4Å; I511-Y516 HydrophobicContact CD1-CD2 3.71Å; I511-Y516 HydrophobicContact CD1-CG 4.36Å; S512-Y516 WeakPolarHBondContact O-CB 3.34Å; S512-Y516 PolarHBondContact O-N 2.87Å; G514-Y516 VanDerWaalsContact C-N 3.3Å; G514-Y516 PolarHBondContact O-N 3.33Å; Y516-Q518 VanDerWaalsContact C-N 3.34Å; Y516-Q518 PolarHBondContact O-N 2.9Å; Y516-M519 PolarHBondContact O-N 3.29Å; Y516-S520 WeakPolarHBondContact O-CB 3.29Å; Y516-S520 PolarHBondContact O-N 2.81Å; Y516-S520 PolarHBondContact O-OG 3.46Å; Y516-V534 HydrophobicContact CE2-CG1 4.3Å; Y516-V534 VanDerWaalsContact OH-CG1 3.3Å; Y516-V534 WeakPolarHBondContact OH-CG1 3.16Å; Y516-L550 HydrophobicContact CD1-CD2 4.09Å; Y516-L550 VanDerWaalsContact CD1-O 3.24Å; Y516-L550 WeakPolarHBondContact CD1-O 3.3Å; Y516-L550 HydrophobicContact CD2-CD2 3.72Å; Y516-L550 HydrophobicContact CE1-CD2 4.34Å; Y516-L550 HydrophobicContact CE2-CD2 3.97Å; Y516-L550 HydrophobicContact CG-CD2 3.77Å; Y516-L551 HydrophobicContact CE1-CD2 3.71Å; Y516-L551 HydrophobicContact CE2-CD2 4.3Å; Y516-L551 VanDerWaalsContact OH-CD2 3.29Å; Y516-L551 WeakPolarHBondContact OH-CD2 3.44Å
517	I	89.7	Confident	87.7	Confident	45 Å²	45	31 Å²	31	23%	0.231	17%	0.165	C	C	.	.	H	α-helix	trans	-62.8	-38.1	178	-73.1	164.3	0	0	0	111.7	S513 G514 G521 A555	S513-I517 WeakPolarHBondContact O-CB 3.33Å; S513-I517 WeakPolarHBondContact O-CD1 3.48Å; S513-I517 WeakPolarHBondContact O-CG1 3.35Å; S513-I517 PolarHBondContact O-N 2.83Å; G514-I517 PolarHBondContact O-N 2.92Å; I517-G521 VanDerWaalsContact O-CA 3.27Å; I517-G521 WeakPolarHBondContact O-CA 3.5Å; I517-G521 PolarHBondContact O-N 3.18Å; I517-A555 HydrophobicContact CD1-CB 4.14Å
518	Q	87.3	Confident	88.7	Confident	38 Å²	38	35.1 Å²	35.1	18%	0.178	19%	0.185	C	C	.	.	H	α-helix	trans	-69.2	-43.5	178.9	-167.5	175.4	21.1	0	0	112.1	Y255 A485 G514 E515 Y516	Y255-Q518 PolarHBondContact OH-NE2 2.84Å; A485-Q518 HydrophobicContact CB-CG 4.48Å; G514-Q518 WeakPolarHBondContact O-CB 3.27Å; G514-Q518 PolarHBondContact O-N 3.36Å; E515-Q518 PolarHBondContact O-N 2.81Å; Y516-Q518 VanDerWaalsContact C-N 3.34Å; Y516-Q518 PolarHBondContact O-N 2.9Å
519	M	91.8	Very high	89.7	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-73.2	-48.9	177.5	-78.9	178.2	-83.3	0	0	112.5	F391 F393 E482 A485 F497 E515 Y516 G521 R522	F391-M519 HydrophobicContact CB-SD 4.22Å; F391-M519 HydrophobicContact CD1-CG 4.33Å; F391-M519 HydrophobicContact CD1-SD 4.28Å; F391-M519 HydrophobicContact CD2-CB 3.85Å; F391-M519 HydrophobicContact CD2-CG 3.97Å; F391-M519 HydrophobicContact CD2-SD 4.26Å; F391-M519 HydrophobicContact CE1-CG 4.31Å; F391-M519 HydrophobicContact CE2-CB 3.78Å; F391-M519 HydrophobicContact CE2-CG 3.97Å; F391-M519 HydrophobicContact CG-CG 4.18Å; F391-M519 HydrophobicContact CG-SD 4Å; F391-M519 HydrophobicContact CZ-CB 4.39Å; F391-M519 HydrophobicContact CZ-CG 4.15Å; F393-M519 HydrophobicContact CE1-CE 4Å; F393-M519 HydrophobicContact CE1-SD 4.07Å; F393-M519 HydrophobicContact CZ-CE 4.48Å; E482-M519 HydrophobicContact CB-SD 4.28Å; E482-M519 HydrophobicContact CG-CE 4.2Å; E482-M519 HydrophobicContact CG-SD 4.1Å; A485-M519 HydrophobicContact CB-CB 4.38Å; A485-M519 HydrophobicContact CB-CG 3.65Å; F497-M519 HydrophobicContact CD1-SD 4.35Å; F497-M519 HydrophobicContact CE1-CB 3.53Å; F497-M519 HydrophobicContact CE1-CE 3.98Å; F497-M519 HydrophobicContact CE1-CG 4.25Å; F497-M519 HydrophobicContact CE1-SD 3.76Å; F497-M519 HydrophobicContact CZ-CB 3.46Å; F497-M519 VanDerWaalsContact CZ-CB 3.46Å; E515-M519 HydrophobicContact CB-CE 3.93Å; E515-M519 WeakPolarHBondContact O-CE 3.49Å; E515-M519 PolarHBondContact O-N 3.04Å; E515-M519 VanDerWaalsContact O-N 3.1Å; Y516-M519 PolarHBondContact O-N 3.29Å; M519-G521 VanDerWaalsContact C-N 3.25Å; M519-G521 PolarHBondContact O-N 3.15Å; M519-R522 WeakPolarHBondContact O-CB 3.46Å; M519-R522 PolarHBondContact O-N 3.38Å
520	S	93.1	Very high	90	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-67.3	-27.8	177.9	66.1	0	0	0	0	112.6	Y516 R522 A523	Y516-S520 WeakPolarHBondContact O-CB 3.29Å; Y516-S520 PolarHBondContact O-N 2.81Å; Y516-S520 PolarHBondContact O-OG 3.46Å; S520-R522 PolarHBondContact O-N 3.26Å; S520-R522 VanDerWaalsContact O-N 3.08Å; S520-A523 WeakPolarHBondContact O-CB 3.34Å; S520-A523 PolarHBondContact O-N 2.98Å
521	G	89.5	Confident	90.3	Very high	11 Å²	11	37.8 Å²	37.8	11%	0.113	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.1	176.2	0	0	0	0	0	114.8	R311 I517 M519 A523	R311-G521 PolarHBondContact NH1-O 2.92Å; I517-G521 VanDerWaalsContact O-CA 3.27Å; I517-G521 WeakPolarHBondContact O-CA 3.5Å; I517-G521 PolarHBondContact O-N 3.18Å; M519-G521 VanDerWaalsContact C-N 3.25Å; M519-G521 PolarHBondContact O-N 3.15Å; G521-A523 VanDerWaalsContact C-N 3.32Å
522	R	91.3	Very high	90.5	Very high	15 Å²	15	37.5 Å²	37.5	6%	0.057	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.5	170.8	-59.1	-64.7	175.9	-175.7	1.6	113.7	I389 A485 I488 P491 A492 V495 M519 S520	I389-R522 HydrophobicContact CD1-CB 4.07Å; A485-R522 HydrophobicContact CB-CG 4.44Å; A485-R522 PolarHBondContact O-NE 3.44Å; A485-R522 PolarHBondContact O-NH2 3.19Å; I488-R522 VanDerWaalsContact O-CZ 3.3Å; I488-R522 PolarHBondContact O-NH1 3.01Å; I488-R522 VanDerWaalsContact O-NH1 3.11Å; I488-R522 PolarHBondContact O-NH2 3.41Å; P491-R522 CarbonylContact C-O 3.59Å; P491-R522 WeakPolarHBondContact CA-O 3.41Å; A492-R522 PolarHBondContact N-O 3.44Å; V495-R522 HydrophobicContact CG2-CB 4.1Å; M519-R522 WeakPolarHBondContact O-CB 3.46Å; M519-R522 PolarHBondContact O-N 3.38Å; S520-R522 PolarHBondContact O-N 3.26Å; S520-R522 VanDerWaalsContact O-N 3.08Å
523	A	93.8	Very high	90.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-80.8	142.3	171.6	0	0	0	0	0	111.7	L315 A492 V495 S520 G521 V534	L315-A523 HydrophobicContact CD2-CB 3.87Å; L315-A523 WeakPolarHBondContact CD2-O 3.47Å; A492-A523 CarbonylContact O-C 3.53Å; A492-A523 WeakPolarHBondContact O-CA 3.17Å; V495-A523 HydrophobicContact CB-CB 4.25Å; V495-A523 HydrophobicContact CG2-CB 3.83Å; S520-A523 WeakPolarHBondContact O-CB 3.34Å; S520-A523 PolarHBondContact O-N 2.98Å; G521-A523 VanDerWaalsContact C-N 3.32Å; A523-V534 HydrophobicContact CB-CG2 3.95Å
524	G	92.4	Very high	91.2	Very high	1 Å²	1	36 Å²	36	1%	0.01	19%	0.191	C	C	.	.			trans	86.7	110.3	177.5	0	0	0	0	0	113.4	A492	A492-G524 PolarHBondContact O-N 2.68Å
525	R	90.4	Very high	91.7	Very high	52 Å²	52	35.7 Å²	35.7	20%	0.196	19%	0.189	C	C	.	.			trans	-95.6	116.3	177.1	-59.9	169.9	-65.8	162.9	5	110.5	P491 G527 M528 D529	P491-R525 HydrophobicContact CB-CG 3.95Å; P491-R525 HydrophobicContact CG-CG 4.02Å; R525-G527 PolarHBondContact O-N 3.49Å; R525-M528 HydrophobicContact CB-CB 3.97Å; R525-M528 HydrophobicContact CB-CG 4.43Å; R525-M528 HydrophobicContact CB-SD 4.3Å; R525-M528 PolarHBondContact O-N 3.46Å; R525-D529 VanDerWaalsContact CB-OD2 3.25Å; R525-D529 WeakPolarHBondContact CB-OD2 3.11Å; R525-D529 WeakPolarHBondContact CG-OD2 3.11Å; R525-D529 IonicContact CZ-OD1 2.73Å; R525-D529 IonicContact CZ-OD2 3.84Å; R525-D529 PolarHBondContact N-OD2 2.62Å; R525-D529 IonicContact NE-OD1 3.55Å; R525-D529 IonicContact NE-OD2 3.54Å; R525-D529 PolarHBondContact NE-OD2 2.81Å; R525-D529 IonicContact NH2-OD1 3.46Å; R525-D529 PolarHBondContact NH2-OD1 2.92Å; R525-D529 IonicContact NH2-OD2 2.65Å; R525-D529 PolarHBondContact O-N 2.93Å
526	R	86.9	Confident	92	Very high	110 Å²	110	34.6 Å²	34.6	42%	0.415	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	120.1	178.6	-173	175.1	-175.1	155.8	4.7	109.7	D140 A164 P312	D140-R526 VanDerWaalsContact CG-NH2 3.34Å; D140-R526 IonicContact OD1-NH2 3.11Å; D140-R526 PolarHBondContact OD1-NH2 3.29Å; D140-R526 VanDerWaalsContact OD1-NH2 3.08Å; D140-R526 IonicContact OD2-CZ 3.54Å; D140-R526 VanDerWaalsContact OD2-CZ 3.27Å; D140-R526 IonicContact OD2-NH1 3.98Å; D140-R526 PolarHBondContact OD2-NH1 2.88Å; D140-R526 IonicContact OD2-NH2 2.82Å; D140-R526 PolarHBondContact OD2-NH2 3.44Å; A164-R526 PolarHBondContact O-NH1 3.43Å; P312-R526 HydrophobicContact CB-CB 4.46Å; P312-R526 HydrophobicContact CB-CG 3.83Å
527	G	85.1	Confident	91.9	Very high	85 Å²	85	35.2 Å²	35.2	88%	0.876	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	-1.5	-179.7	0	0	0	0	0	116.5	R525	R525-G527 PolarHBondContact O-N 3.49Å
528	M	87.6	Confident	91.7	Very high	139 Å²	139	33.2 Å²	33.2	69%	0.685	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-30.2	175.5	-58.7	179.2	179.8	0	0	113.8	R525	R525-M528 HydrophobicContact CB-CB 3.97Å; R525-M528 HydrophobicContact CB-CG 4.43Å; R525-M528 HydrophobicContact CB-SD 4.3Å; R525-M528 PolarHBondContact O-N 3.46Å
529	D	92.5	Very high	91.2	Very high	9 Å²	9	34 Å²	34	5%	0.048	18%	0.182	C	C	.	.			trans	-119.9	132.5	179.8	-56.7	-51.9	0	0	0	110.9	T313 R493 R525 R531	T313-D529 HydrophobicContact CG2-CB 4.32Å; T313-D529 VanDerWaalsContact CG2-O 3.27Å; T313-D529 WeakPolarHBondContact CG2-O 3.28Å; R493-D529 WeakPolarHBondContact CA-OD2 2.98Å; R493-D529 WeakPolarHBondContact CD-OD1 3.46Å; R493-D529 HydrophobicContact CG-CB 4.49Å; R493-D529 VanDerWaalsContact CG-OD1 3.27Å; R493-D529 WeakPolarHBondContact CG-OD1 3.24Å; R493-D529 IonicContact NE-OD1 3.53Å; R493-D529 PolarHBondContact NE-OD1 3.23Å; R525-D529 VanDerWaalsContact CB-OD2 3.25Å; R525-D529 WeakPolarHBondContact CB-OD2 3.11Å; R525-D529 WeakPolarHBondContact CG-OD2 3.11Å; R525-D529 IonicContact CZ-OD1 2.73Å; R525-D529 IonicContact CZ-OD2 3.84Å; R525-D529 PolarHBondContact N-OD2 2.62Å; R525-D529 IonicContact NE-OD1 3.55Å; R525-D529 IonicContact NE-OD2 3.54Å; R525-D529 PolarHBondContact NE-OD2 2.81Å; R525-D529 IonicContact NH2-OD1 3.46Å; R525-D529 PolarHBondContact NH2-OD1 2.92Å; R525-D529 IonicContact NH2-OD2 2.65Å; R525-D529 PolarHBondContact O-N 2.93Å; D529-R531 PolarHBondContact O-N 3.07Å
530	D	91.9	Very high	90.1	Very high	126 Å²	126	36 Å²	36	67%	0.674	19%	0.191	S	C	*	.	S	Bend	trans	-62.7	-32.6	172.6	-37.5	-76.2	0	0	0	111.8	P314 R493	P314-D530 WeakPolarHBondContact CD-O 3.28Å; R493-D530 IonicContact NH2-OD2 2.71Å
531	R	93.3	Very high	89	Confident	86 Å²	86	42.3 Å²	42.3	33%	0.325	22%	0.218	S	C	.	.	S	Bend	trans	-157.6	147.1	-179.8	63.3	-173.9	-173	-97.8	2.3	111.5	P314 Q316 E333 D529	P314-R531 HydrophobicContact CG-CB 4.28Å; P314-R531 CarbonylContact O-C 3.55Å; P314-R531 VanDerWaalsContact O-CA 3.28Å; P314-R531 WeakPolarHBondContact O-CA 3.37Å; P314-R531 WeakPolarHBondContact O-CB 3.29Å; Q316-R531 VanDerWaalsContact CD-CD 3.47Å; Q316-R531 VanDerWaalsContact NE2-NE 3.18Å; Q316-R531 VanDerWaalsContact OE1-NE 3.08Å; E333-R531 WeakPolarHBondContact OE1-CD 3.41Å; E333-R531 IonicContact OE1-NE 2.69Å; D529-R531 PolarHBondContact O-N 3.07Å
532	G	95.9	Very high	88.3	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.8	170.6	0	0	0	0	0	111.4	P314 L315 Q316	P314-G532 PolarHBondContact O-N 3.45Å; L315-G532 WeakPolarHBondContact CA-O 3.39Å; Q316-G532 PolarHBondContact N-O 2.95Å
533	I	97.3	Very high	87.7	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.4	178.3	-62	174	0	0	0	109.2	Y318 F385 R493 T494 V495 I535	Y318-I533 HydrophobicContact CD2-CG2 4.04Å; Y318-I533 HydrophobicContact CE2-CG2 4.1Å; F385-I533 HydrophobicContact CB-CD1 4.31Å; F385-I533 HydrophobicContact CD1-CD1 3.67Å; F385-I533 HydrophobicContact CD2-CD1 3.59Å; F385-I533 HydrophobicContact CE1-CD1 3.73Å; F385-I533 HydrophobicContact CE2-CD1 3.65Å; F385-I533 HydrophobicContact CG-CD1 3.61Å; F385-I533 HydrophobicContact CZ-CD1 3.72Å; R493-I533 PolarHBondContact O-N 3.26Å; T494-I533 CarbonylContact C-O 3.58Å; T494-I533 VanDerWaalsContact CA-O 3.25Å; T494-I533 WeakPolarHBondContact CA-O 3.35Å; T494-I533 HydrophobicContact CG2-CB 4.14Å; T494-I533 HydrophobicContact CG2-CG2 4.05Å; V495-I533 PolarHBondContact N-O 3.21Å; I533-I535 HydrophobicContact CG2-CD1 4.32Å; I533-I535 HydrophobicContact CG2-CG1 4.1Å
534	V	97.6	Very high	86.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126	177.6	-169.1	0	0	0	0	108.8	L315 Q316 Y318 V495 F497 Y516 A523	L315-V534 HydrophobicContact CB-CG2 4.5Å; L315-V534 HydrophobicContact CD1-CG2 4.25Å; L315-V534 HydrophobicContact CD2-CG2 4.4Å; Q316-V534 PolarHBondContact O-N 3.45Å; Y318-V534 PolarHBondContact N-O 3.42Å; V495-V534 CarbonylContact O-C 3.56Å; V495-V534 WeakPolarHBondContact O-CA 3.36Å; F497-V534 HydrophobicContact CD2-CG1 4.24Å; F497-V534 HydrophobicContact CE2-CG1 3.73Å; Y516-V534 HydrophobicContact CE2-CG1 4.3Å; Y516-V534 VanDerWaalsContact OH-CG1 3.3Å; Y516-V534 WeakPolarHBondContact OH-CG1 3.16Å; A523-V534 HydrophobicContact CB-CG2 3.95Å
535	I	97	Very high	86.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.3	-179.7	-60.9	167.7	0	0	0	109	Y318 F320 L327 I376 I380 T494 V495 L496 F497 I533	Y318-I535 WeakPolarHBondContact O-CA 3.26Å; F320-I535 HydrophobicContact CB-CG2 4.19Å; L327-I535 HydrophobicContact CD1-CD1 3.88Å; L327-I535 HydrophobicContact CD1-CG1 4.25Å; L327-I535 HydrophobicContact CD2-CB 4.46Å; L327-I535 HydrophobicContact CD2-CD1 4.21Å; L327-I535 HydrophobicContact CD2-CG1 4.09Å; L327-I535 HydrophobicContact CD2-CG2 3.57Å; I376-I535 HydrophobicContact CG2-CD1 4.03Å; I380-I535 HydrophobicContact CD1-CD1 4.06Å; I380-I535 HydrophobicContact CG1-CD1 4.38Å; T494-I535 HydrophobicContact CG2-CD1 4.19Å; V495-I535 PolarHBondContact O-N 2.83Å; L496-I535 CarbonylContact C-O 3.5Å; L496-I535 WeakPolarHBondContact CA-O 3.31Å; L496-I535 HydrophobicContact CD1-CB 3.77Å; L496-I535 HydrophobicContact CD1-CG2 3.51Å; F497-I535 PolarHBondContact N-O 3.28Å; I533-I535 HydrophobicContact CG2-CD1 4.32Å; I533-I535 HydrophobicContact CG2-CG1 4.1Å
536	L	95.3	Very high	86.2	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	111.3	174.4	-176.6	61.9	0	0	0	109.8	Y318 I319 F320 F497 A500 V538 L550 L551	Y318-L536 PolarHBondContact O-N 2.98Å; I319-L536 WeakPolarHBondContact CA-O 3.19Å; I319-L536 HydrophobicContact CG1-CB 4.34Å; I319-L536 HydrophobicContact CG1-CD2 4.5Å; F320-L536 PolarHBondContact N-O 3.38Å; F497-L536 HydrophobicContact CB-CD1 3.67Å; F497-L536 HydrophobicContact CD2-CD1 4.45Å; F497-L536 HydrophobicContact CG-CD1 4.03Å; A500-L536 HydrophobicContact CB-CD1 3.81Å; A500-L536 HydrophobicContact CB-CD2 4.27Å; A500-L536 HydrophobicContact CB-CG 4.17Å; L536-V538 HydrophobicContact CD2-CG2 4.16Å; L536-V538 HydrophobicContact CG-CG2 3.9Å; L536-L550 HydrophobicContact CD2-CD1 4.4Å; L536-L550 HydrophobicContact CD2-CD2 3.78Å; L536-L551 HydrophobicContact CD2-CD2 4.31Å
537	M	91.4	Very high	86.2	Confident	15 Å²	15	45.7 Å²	45.7	7%	0.074	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.1	169.2	-64.2	-179.7	65.7	0	0	109.8	F320 N372 V373 I376 L496 F497 A500	F320-M537 HydrophobicContact CB-CG 4.27Å; F320-M537 HydrophobicContact CD1-CE 4.41Å; F320-M537 HydrophobicContact CD1-CG 4.42Å; N372-M537 HydrophobicContact CB-CE 3.82Å; V373-M537 HydrophobicContact CG2-CE 3.85Å; V373-M537 HydrophobicContact CG2-SD 3.78Å; I376-M537 HydrophobicContact CD1-CE 3.94Å; I376-M537 HydrophobicContact CD1-CG 3.76Å; I376-M537 HydrophobicContact CD1-SD 3.58Å; I376-M537 VanDerWaalsContact CD1-SD 3.58Å; L496-M537 HydrophobicContact CD1-CG 3.86Å; L496-M537 HydrophobicContact CD1-SD 4.04Å; F497-M537 VanDerWaalsContact O-CB 3.27Å; F497-M537 WeakPolarHBondContact O-CB 3.28Å; F497-M537 WeakPolarHBondContact O-CG 3.32Å; F497-M537 PolarHBondContact O-N 2.87Å; A500-M537 PolarHBondContact N-O 2.8Å
538	V	84.3	Confident	86.3	Confident	2 Å²	2	47 Å²	47	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.5	-179	-175.9	0	0	0	0	109	I319 F320 A322 M346 L349 A500 L536 E540	I319-V538 HydrophobicContact CD1-CG2 4.39Å; I319-V538 HydrophobicContact CG1-CG2 4.36Å; I319-V538 HydrophobicContact CG2-CB 4.28Å; I319-V538 HydrophobicContact CG2-CG2 3.89Å; F320-V538 PolarHBondContact O-N 3.47Å; A322-V538 WeakPolarHBondContact CB-O 3.21Å; A322-V538 PolarHBondContact N-O 2.73Å; M346-V538 HydrophobicContact CE-CG1 4.22Å; L349-V538 HydrophobicContact CD1-CB 4.22Å; L349-V538 HydrophobicContact CD1-CG1 3.79Å; A500-V538 HydrophobicContact CB-CG2 4.29Å; L536-V538 HydrophobicContact CD2-CG2 4.16Å; L536-V538 HydrophobicContact CG-CG2 3.9Å; V538-E540 WeakPolarHBondContact CG1-O 3.49Å
539	D	76	Confident	86.4	Confident	55 Å²	55	45.4 Å²	45.4	29%	0.294	23%	0.229	S	C	.	.			trans	-113.9	1.9	177.4	77.1	-11.8	0	0	0	114.3	A322 Q360 K707	A322-D539 HydrophobicContact CB-CB 3.77Å; Q360-D539 PolarHBondContact NE2-OD2 3.5Å; Q360-D539 VanDerWaalsContact NE2-OD2 3.15Å; D539-K707 IonicContact OD1-NZ 3Å; D539-K707 PolarHBondContact OD1-NZ 2.72Å; D539-K707 WeakPolarHBondContact OD2-CE 3.32Å; D539-K707 IonicContact OD2-NZ 2.76Å; D539-K707 PolarHBondContact OD2-NZ 2.73Å
540	E	69.7	Low	86.4	Confident	43 Å²	43	45.2 Å²	45.2	20%	0.201	23%	0.228	C	C	.	.	S	Bend	trans	-132.4	143.8	175.9	-171.4	-176	-173	0	0	111.1	R501 W510 V538 M542 K718	R501-E540 WeakPolarHBondContact CD-OE2 3.41Å; R501-E540 IonicContact CZ-OE2 3.81Å; R501-E540 IonicContact NE-OE2 2.68Å; R501-E540 IonicContact NH1-OE1 3.7Å; R501-E540 IonicContact NH1-OE2 2.71Å; R501-E540 PolarHBondContact NH1-OE2 3.33Å; W510-E540 HydrophobicContact CH2-CB 4.44Å; V538-E540 WeakPolarHBondContact CG1-O 3.49Å; E540-M542 PolarHBondContact O-N 2.73Å; E540-K718 IonicContact OE1-NZ 3.45Å; E540-K718 PolarHBondContact OE1-NZ 3.32Å
541	K	70.3	Confident	86.3	Confident	136 Å²	136	40 Å²	40	59%	0.591	20%	0.199	S	C	*	.	P	Polyproline II helix	trans	-60.9	117.8	176.2	-178.2	-171.8	170.7	-163.5	0	111.4
542	M	75.5	Confident	86.1	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.02	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-97.1	146.2	173.9	-170.5	-174.9	-76.7	0	0	110	F342 M346 A500 W510 E540 I546 G547 L550	F342-M542 HydrophobicContact CE2-SD 3.97Å; F342-M542 HydrophobicContact CZ-CB 4Å; F342-M542 HydrophobicContact CZ-CG 4Å; F342-M542 HydrophobicContact CZ-SD 3.96Å; M346-M542 HydrophobicContact CE-CB 4.04Å; M346-M542 HydrophobicContact SD-CB 3.95Å; M346-M542 PolarHBondContact SD-N 2.9Å; M346-M542 VanDerWaalsContact SD-N 3.37Å; A500-M542 HydrophobicContact CB-CE 4.12Å; W510-M542 HydrophobicContact CD2-CE 4.35Å; W510-M542 HydrophobicContact CE3-CE 3.5Å; W510-M542 HydrophobicContact CH2-CB 4.19Å; W510-M542 HydrophobicContact CH2-CE 4.02Å; W510-M542 HydrophobicContact CH2-CG 4.36Å; W510-M542 HydrophobicContact CZ3-CE 3.31Å; E540-M542 PolarHBondContact O-N 2.73Å; M542-I546 HydrophobicContact CG-CB 3.92Å; M542-I546 HydrophobicContact CG-CG2 3.69Å; M542-I546 HydrophobicContact SD-CG2 4.22Å; M542-G547 WeakPolarHBondContact SD-CA 3.39Å; M542-L550 HydrophobicContact CE-CD1 3.86Å
543	S	76.8	Confident	85.5	Confident	46 Å²	46	41.2 Å²	41.2	32%	0.322	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-81.3	152.2	171.8	68.4	0	0	0	0	110.9	T545 I546 G547	S543-T545 PolarHBondContact O-N 3.3Å; S543-I546 PolarHBondContact O-N 3.43Å; S543-I546 VanDerWaalsContact O-N 3.07Å; S543-I546 WeakPolarHBondContact OG-CD1 3.43Å; S543-I546 VanDerWaalsContact OG-CG1 3.32Å; S543-I546 WeakPolarHBondContact OG-CG1 3.46Å; S543-I546 PolarHBondContact OG-N 3.29Å; S543-G547 PolarHBondContact O-N 3.4Å
544	P	77.1	Confident	85	Confident	37 Å²	37	44.9 Å²	44.9	24%	0.24	24%	0.236	C	C	.	.	H	α-helix	trans	-55.1	-35.8	176.3	-28.1	36.3	0	0	0	113.2	F342 G547 K548	F342-P544 HydrophobicContact CD1-CB 4.44Å; F342-P544 HydrophobicContact CD1-CG 4.28Å; F342-P544 HydrophobicContact CE1-CB 4.3Å; F342-P544 HydrophobicContact CE1-CG 4.1Å; P544-G547 PolarHBondContact O-N 2.75Å; P544-K548 WeakPolarHBondContact O-CB 3.28Å; P544-K548 PolarHBondContact O-N 3.06Å
545	T	83.6	Confident	84.5	Confident	112 Å²	112	45.5 Å²	45.5	69%	0.687	24%	0.241	S	C	*	.	H	α-helix	trans	-62.4	-45.5	175.3	-37.1	0	0	0	0	112.4	S543 Q549	S543-T545 PolarHBondContact O-N 3.3Å; T545-Q549 WeakPolarHBondContact O-CB 3.5Å; T545-Q549 PolarHBondContact O-N 2.99Å
546	I	85.6	Confident	84.1	Confident	62 Å²	62	48.1 Å²	48.1	32%	0.318	26%	0.255	S	S	.	.	H	α-helix	trans	-68.8	-41.7	177.8	-66.7	169.4	0	0	0	110.3	W510 M542 S543 Q549 L550	W510-I546 HydrophobicContact CD2-CG2 4.12Å; W510-I546 HydrophobicContact CG-CG2 4.03Å; M542-I546 HydrophobicContact CG-CB 3.92Å; M542-I546 HydrophobicContact CG-CG2 3.69Å; M542-I546 HydrophobicContact SD-CG2 4.22Å; S543-I546 PolarHBondContact O-N 3.43Å; S543-I546 VanDerWaalsContact O-N 3.07Å; S543-I546 WeakPolarHBondContact OG-CD1 3.43Å; S543-I546 VanDerWaalsContact OG-CG1 3.32Å; S543-I546 WeakPolarHBondContact OG-CG1 3.46Å; S543-I546 PolarHBondContact OG-N 3.29Å; I546-Q549 PolarHBondContact O-N 3.27Å; I546-L550 WeakPolarHBondContact O-CB 3.3Å; I546-L550 PolarHBondContact O-N 3.49Å
547	G	86.1	Confident	83.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-43.7	177	0	0	0	0	0	112.9	M542 S543 P544 L550 L551	M542-G547 WeakPolarHBondContact SD-CA 3.39Å; S543-G547 PolarHBondContact O-N 3.4Å; P544-G547 PolarHBondContact O-N 2.75Å; G547-L550 PolarHBondContact O-N 2.92Å; G547-L551 VanDerWaalsContact O-CB 3.27Å; G547-L551 WeakPolarHBondContact O-CB 3.47Å; G547-L551 WeakPolarHBondContact O-CD1 3.46Å; G547-L551 VanDerWaalsContact O-CG 3.23Å; G547-L551 WeakPolarHBondContact O-CG 3.36Å; G547-L551 PolarHBondContact O-N 3.29Å
548	K	88.8	Confident	84	Confident	112 Å²	112	50 Å²	50	49%	0.487	27%	0.269	S	S	.	.	H	α-helix	trans	-66.1	-37.6	175.2	-168.8	171.5	-176.9	173.1	0	111.8	F337 P544 K552 G553	F337-K548 HydrophobicContact CD1-CD 4.3Å; F337-K548 HydrophobicContact CD1-CG 4.4Å; F337-K548 HydrophobicContact CE1-CB 4.34Å; F337-K548 HydrophobicContact CG-CG 4.41Å; F337-K548 HydrophobicContact CZ-CB 4.35Å; P544-K548 WeakPolarHBondContact O-CB 3.28Å; P544-K548 PolarHBondContact O-N 3.06Å; K548-K552 HydrophobicContact CG-CB 4.4Å; K548-K552 CarbonylContact O-C 3.59Å; K548-K552 VanDerWaalsContact O-CA 3.3Å; K548-K552 WeakPolarHBondContact O-CA 3.46Å; K548-K552 VanDerWaalsContact O-CB 3.29Å; K548-K552 WeakPolarHBondContact O-CB 3.41Å; K548-K552 PolarHBondContact O-N 3.32Å; K548-G553 PolarHBondContact O-N 3.24Å
549	Q	89.9	Confident	84.5	Confident	105 Å²	105	53.8 Å²	53.8	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-66.4	-43.3	173.5	-175.8	60.6	39.9	0	0	112.2	S513 T545 I546 G553	S513-Q549 PolarHBondContact OG-NE2 2.82Å; S513-Q549 PolarHBondContact OG-O 3.05Å; T545-Q549 WeakPolarHBondContact O-CB 3.5Å; T545-Q549 PolarHBondContact O-N 2.99Å; I546-Q549 PolarHBondContact O-N 3.27Å; Q549-G553 WeakPolarHBondContact O-CA 3.19Å; Q549-G553 PolarHBondContact O-N 3.19Å
550	L	91.1	Very high	85.3	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-45.3	179.8	-172.9	159.2	0	0	0	111.5	I511 Y516 L536 M542 I546 G547	I511-L550 HydrophobicContact CD1-CD1 4.27Å; I511-L550 HydrophobicContact CD1-CD2 4.38Å; I511-L550 HydrophobicContact CD1-CG 4.45Å; I511-L550 HydrophobicContact CG1-CD1 3.69Å; I511-L550 HydrophobicContact CG1-CD2 4.46Å; I511-L550 HydrophobicContact CG1-CG 4Å; Y516-L550 HydrophobicContact CD1-CD2 4.09Å; Y516-L550 VanDerWaalsContact CD1-O 3.24Å; Y516-L550 WeakPolarHBondContact CD1-O 3.3Å; Y516-L550 HydrophobicContact CD2-CD2 3.72Å; Y516-L550 HydrophobicContact CE1-CD2 4.34Å; Y516-L550 HydrophobicContact CE2-CD2 3.97Å; Y516-L550 HydrophobicContact CG-CD2 3.77Å; L536-L550 HydrophobicContact CD2-CD1 4.4Å; L536-L550 HydrophobicContact CD2-CD2 3.78Å; M542-L550 HydrophobicContact CE-CD1 3.86Å; I546-L550 WeakPolarHBondContact O-CB 3.3Å; I546-L550 PolarHBondContact O-N 3.49Å; G547-L550 PolarHBondContact O-N 2.92Å
551	L	90.6	Very high	86.4	Confident	15 Å²	15	50.8 Å²	50.8	8%	0.079	28%	0.279	C	S	.	.	H	α-helix	trans	-91	-25.5	-171.4	-60.2	167.2	0	0	0	114.4	I319 V330 V331 F337 Y516 L536 G547	I319-L551 HydrophobicContact CD1-CD1 4.46Å; V330-L551 HydrophobicContact CB-CD1 4.26Å; V330-L551 HydrophobicContact CG2-CD1 3.61Å; V331-L551 HydrophobicContact CG2-CB 3.89Å; V331-L551 HydrophobicContact CG2-CD1 4.46Å; F337-L551 HydrophobicContact CE2-CD1 4.05Å; Y516-L551 HydrophobicContact CE1-CD2 3.71Å; Y516-L551 HydrophobicContact CE2-CD2 4.3Å; Y516-L551 VanDerWaalsContact OH-CD2 3.29Å; Y516-L551 WeakPolarHBondContact OH-CD2 3.44Å; L536-L551 HydrophobicContact CD2-CD2 4.31Å; G547-L551 VanDerWaalsContact O-CB 3.27Å; G547-L551 WeakPolarHBondContact O-CB 3.47Å; G547-L551 WeakPolarHBondContact O-CD1 3.46Å; G547-L551 VanDerWaalsContact O-CG 3.23Å; G547-L551 WeakPolarHBondContact O-CG 3.36Å; G547-L551 PolarHBondContact O-N 3.29Å
552	K	88.8	Confident	87.5	Confident	101 Å²	101	44.6 Å²	44.6	44%	0.439	25%	0.251	S	S	.	.	H	α-helix	trans	-130.6	2.5	-176	-82.9	-135.2	74.9	165	0	114.5	V331 G335 F337 K548	V331-K552 HydrophobicContact CG2-CG 4.23Å; G335-K552 WeakPolarHBondContact O-CD 3.39Å; G335-K552 WeakPolarHBondContact O-CE 3.48Å; G335-K552 PolarHBondContact O-NZ 3.39Å; F337-K552 HydrophobicContact CB-CD 4.14Å; F337-K552 HydrophobicContact CB-CG 4.37Å; K548-K552 HydrophobicContact CG-CB 4.4Å; K548-K552 CarbonylContact O-C 3.59Å; K548-K552 VanDerWaalsContact O-CA 3.3Å; K548-K552 WeakPolarHBondContact O-CA 3.46Å; K548-K552 VanDerWaalsContact O-CB 3.29Å; K548-K552 WeakPolarHBondContact O-CB 3.41Å; K548-K552 PolarHBondContact O-N 3.32Å
553	G	83.9	Confident	88.3	Confident	12 Å²	12	47.5 Å²	47.5	12%	0.124	27%	0.265	C	S	.	.	S	Bend	trans	-65.1	153.5	174.6	0	0	0	0	0	111.7	K548 Q549	K548-G553 PolarHBondContact O-N 3.24Å; Q549-G553 WeakPolarHBondContact O-CA 3.19Å; Q549-G553 PolarHBondContact O-N 3.19Å
554	S	84.9	Confident	89.1	Confident	79 Å²	79	45.4 Å²	45.4	55%	0.552	25%	0.25	S	S	*	.	P	Polyproline II helix	trans	-59	151.5	170.5	54.4	0	0	0	0	111	S513	S513-S554 WeakPolarHBondContact CB-O 3.43Å
555	A	87.1	Confident	89.9	Confident	13 Å²	13	45.3 Å²	45.3	11%	0.107	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-56.3	148.6	165	0	0	0	0	0	110.8	T284 P286 I517	T284-A555 WeakPolarHBondContact O-CB 3.3Å; P286-A555 WeakPolarHBondContact CD-O 3.27Å; P286-A555 WeakPolarHBondContact CG-O 3.48Å; I517-A555 HydrophobicContact CD1-CB 4.14Å
556	D	88.5	Confident	90.4	Very high	55 Å²	55	40.9 Å²	40.9	29%	0.294	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-60.8	141	179.9	-58.5	-46.4	0	0	0	110.4	R257 S512 G514	R257-D556 PolarHBondContact NH1-O 3.32Å; S512-D556 WeakPolarHBondContact CB-OD2 3.23Å; S512-D556 PolarHBondContact OG-OD2 3.5Å; G514-D556 WeakPolarHBondContact CA-OD2 3.38Å; G514-D556 PolarHBondContact N-OD2 2.97Å
557	P	91.9	Very high	90.9	Very high	54 Å²	54	38.4 Å²	38.4	35%	0.351	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-55.3	155.7	177.8	-27.1	35.1	0	0	0	114	R257 P286 N559	R257-P557 PolarHBondContact NH1-O 2.97Å; P286-P557 HydrophobicContact CG-CB 4.23Å; P286-P557 HydrophobicContact CG-CG 3.95Å; P557-N559 PolarHBondContact O-N 3.1Å
558	L	94.2	Very high	91.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.			trans	-83.9	90.9	163.3	-178.1	53.1	0	0	0	107.8	H254 M256 R257 I285 N287 F291 F588 Q592	H254-L558 HydrophobicContact CB-CD1 4.5Å; M256-L558 HydrophobicContact CB-CD1 4.07Å; M256-L558 HydrophobicContact CE-CD1 4.15Å; M256-L558 HydrophobicContact CE-CD2 4.16Å; M256-L558 HydrophobicContact CE-CG 4.02Å; R257-L558 HydrophobicContact CB-CD1 4.15Å; I285-L558 HydrophobicContact CD1-CB 3.78Å; I285-L558 HydrophobicContact CD1-CD2 3.65Å; I285-L558 HydrophobicContact CD1-CG 4.38Å; I285-L558 HydrophobicContact CG2-CB 4.44Å; N287-L558 PolarHBondContact ND2-O 2.78Å; N287-L558 PolarHBondContact OD1-N 3.13Å; F291-L558 HydrophobicContact CD2-CD2 3.78Å; F291-L558 HydrophobicContact CE2-CD2 4.25Å; F291-L558 HydrophobicContact CG-CD2 4.32Å; L558-F588 WeakPolarHBondContact O-CE1 3.37Å; L558-Q592 PolarHBondContact O-NE2 2.74Å
559	N	94.1	Very high	91.6	Very high	82 Å²	82	33.1 Å²	33.1	44%	0.439	18%	0.184	S	C	.	.			trans	-100.3	146.3	172.6	-70.2	-21.4	0	0	0	110.1	R257 P557 Q592	R257-N559 VanDerWaalsContact CA-O 3.31Å; R257-N559 WeakPolarHBondContact CA-O 3.38Å; R257-N559 VanDerWaalsContact CB-O 3.26Å; R257-N559 WeakPolarHBondContact CB-O 3.28Å; P557-N559 PolarHBondContact O-N 3.1Å; N559-Q592 PolarHBondContact OD1-NE2 2.65Å
560	S	93.9	Very high	91.9	Very high	16 Å²	16	28.1 Å²	28.1	11%	0.112	16%	0.161	C	C	.	.			trans	-60.2	137.9	175.4	152.9	0	0	0	0	111.6	E266 F562 Y589	E266-S560 VanDerWaalsContact OE1-CA 3.28Å; E266-S560 WeakPolarHBondContact OE1-CA 3.46Å; E266-S560 WeakPolarHBondContact OE1-CB 3.43Å; E266-S560 PolarHBondContact OE1-OG 3.06Å; S560-F562 WeakPolarHBondContact OG-CB 3.41Å; S560-F562 PolarHBondContact OG-N 2.95Å; S560-F562 VanDerWaalsContact OG-N 3.1Å; S560-Y589 VanDerWaalsContact CB-N 3.33Å; S560-Y589 WeakPolarHBondContact OG-CA 3.34Å; S560-Y589 WeakPolarHBondContact OG-CB 3.46Å; S560-Y589 WeakPolarHBondContact OG-CD2 3.24Å; S560-Y589 PolarHBondContact OG-N 3.43Å
561	A	92.1	Very high	92	Very high	20 Å²	20	28 Å²	28	17%	0.165	16%	0.16	C	C	.	.			trans	-111.1	20.4	167.7	0	0	0	0	0	112.7	D258 H563	D258-A561 WeakPolarHBondContact O-CB 3.4Å; A561-H563 PolarHBondContact O-CD2 2.76Å; A561-H563 PolarHBondContact O-N 2.75Å
562	F	93.6	Very high	92.2	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.022	16%	0.157	C	C	.	.			trans	-57.7	129.5	-180	-167.9	-77.4	0	0	0	113.6	V263 E266 S560 L564 M568 M583 L584 Q846	V263-F562 HydrophobicContact CG2-CD2 4.11Å; V263-F562 HydrophobicContact CG2-CE2 4.28Å; V263-F562 HydrophobicContact CG2-CG 4.41Å; E266-F562 HydrophobicContact CB-CD2 4.04Å; S560-F562 WeakPolarHBondContact OG-CB 3.41Å; S560-F562 PolarHBondContact OG-N 2.95Å; S560-F562 VanDerWaalsContact OG-N 3.1Å; F562-L564 HydrophobicContact CE1-CD2 4.37Å; F562-M568 HydrophobicContact CE1-CE 4.24Å; F562-M568 HydrophobicContact CE1-SD 4.29Å; F562-M568 HydrophobicContact CE2-CE 3.81Å; F562-M568 HydrophobicContact CE2-SD 4.4Å; F562-M568 HydrophobicContact CZ-CE 3.52Å; F562-M568 HydrophobicContact CZ-SD 3.62Å; F562-M583 HydrophobicContact CE2-CG 3.91Å; F562-M583 HydrophobicContact CE2-SD 4.08Å; F562-M583 HydrophobicContact CZ-CG 3.68Å; F562-M583 HydrophobicContact CZ-SD 4.45Å; F562-L584 HydrophobicContact CD1-CD2 4.43Å; F562-L584 HydrophobicContact CE1-CD2 3.67Å; F562-L584 HydrophobicContact CZ-CD2 4.35Å; F562-Q846 PolarHBondContact O-NE2 2.9Å
563	H	92.3	Very high	92.4	Very high	65 Å²	65	23.9 Å²	23.9	30%	0.301	14%	0.143	S	C	.	.			trans	-143.7	160.7	170.8	50.7	77.7	0	0	0	110.8	S259 V263 A561	S259-H563 PolarHBondContact O-NE2 3.23Å; V263-H563 WeakPolarHBondContact CG2-O 3.38Å; A561-H563 PolarHBondContact O-CD2 2.76Å; A561-H563 PolarHBondContact O-N 2.75Å
564	L	92.7	Very high	92.8	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	15%	0.149	C	C	.	.			trans	-84.4	128.2	-178.4	-71.9	167.7	0	0	0	111.3	F562 M568 V569 L584 Q846 E849 L850 R853	F562-L564 HydrophobicContact CE1-CD2 4.37Å; L564-M568 HydrophobicContact CD2-SD 4Å; L564-V569 HydrophobicContact CD2-CG2 4.11Å; L564-L584 HydrophobicContact CD1-CD2 4.44Å; L564-L584 HydrophobicContact CD2-CD2 3.88Å; L564-L584 HydrophobicContact CD2-CG 4.4Å; L564-L584 HydrophobicContact CG-CD2 4.22Å; L564-Q846 HydrophobicContact CD1-CB 4.09Å; L564-E849 HydrophobicContact CD1-CB 4.19Å; L564-E849 HydrophobicContact CD1-CG 4.36Å; L564-L850 HydrophobicContact CD1-CB 3.77Å; L564-R853 PolarHBondContact O-NE 3.12Å; L564-R853 PolarHBondContact O-NH1 2.79Å; L564-R853 PolarHBondContact O-NH2 3.29Å
565	T	93.6	Very high	92.9	Very high	34 Å²	34	25 Å²	25	21%	0.209	14%	0.137	C	C	.	.			trans	-108.2	159.2	167.2	68.4	0	0	0	0	110.1	M568 V569	T565-M568 WeakPolarHBondContact OG1-CB 3.43Å; T565-M568 PolarHBondContact OG1-N 2.93Å; T565-M568 VanDerWaalsContact OG1-N 3.08Å; T565-V569 WeakPolarHBondContact O-CG2 3.26Å; T565-V569 PolarHBondContact O-N 3.48Å
566	Y	95.3	Very high	92.5	Very high	19 Å²	19	33.9 Å²	33.9	8%	0.075	18%	0.176	C	C	.	.	H	α-helix	trans	-75.1	-31.6	177.1	-65.8	-78.8	0	0	0	111.2	V569 L570 R853 V856 L857 E884 L885 L950	Y566-V569 PolarHBondContact O-N 2.92Å; Y566-L570 VanDerWaalsContact O-CB 3.28Å; Y566-L570 WeakPolarHBondContact O-CB 3.26Å; Y566-L570 VanDerWaalsContact O-CG 3.25Å; Y566-L570 WeakPolarHBondContact O-CG 3.47Å; Y566-L570 PolarHBondContact O-N 3.48Å; Y566-R853 HydrophobicContact CD1-CB 4.13Å; Y566-R853 HydrophobicContact CD1-CG 4.36Å; Y566-R853 HydrophobicContact CE1-CB 3.62Å; Y566-R853 HydrophobicContact CE1-CG 3.71Å; Y566-V856 HydrophobicContact CE1-CB 4.18Å; Y566-V856 HydrophobicContact CE1-CG1 4.29Å; Y566-L857 HydrophobicContact CD1-CD1 4.35Å; Y566-L857 HydrophobicContact CD1-CD2 3.74Å; Y566-L857 HydrophobicContact CD1-CG 3.95Å; Y566-L857 HydrophobicContact CE1-CD2 4.4Å; Y566-L857 HydrophobicContact CE1-CG 4.38Å; Y566-L857 HydrophobicContact CG-CD2 4.43Å; Y566-E884 VanDerWaalsContact CA-OE1 3.26Å; Y566-E884 WeakPolarHBondContact CA-OE1 3.25Å; Y566-E884 VanDerWaalsContact CB-OE1 3.25Å; Y566-E884 WeakPolarHBondContact CB-OE1 3.02Å; Y566-E884 PolarHBondContact N-OE1 3.1Å; Y566-L885 HydrophobicContact CD1-CD1 4.03Å; Y566-L885 HydrophobicContact CD2-CD1 3.51Å; Y566-L885 HydrophobicContact CD2-CG 3.88Å; Y566-L885 HydrophobicContact CE1-CD1 3.96Å; Y566-L885 HydrophobicContact CE2-CD1 3.45Å; Y566-L885 VanDerWaalsContact CE2-CD1 3.45Å; Y566-L885 HydrophobicContact CE2-CG 4.31Å; Y566-L885 HydrophobicContact CG-CD1 3.79Å; Y566-L885 HydrophobicContact CG-CD2 4.2Å; Y566-L885 HydrophobicContact CG-CG 4Å; Y566-L950 WeakPolarHBondContact OH-CD1 3.49Å
567	N	94.9	Very high	92.1	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.053	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-43.2	173.7	-177.8	-85	0	0	0	111.8	L570 N571 A876 C877 I879 E884	N567-L570 PolarHBondContact O-N 3.41Å; N567-N571 PolarHBondContact ND2-ND2 3.37Å; N567-N571 WeakPolarHBondContact O-CB 3.46Å; N567-N571 PolarHBondContact O-N 2.91Å; N567-N571 PolarHBondContact O-ND2 3.21Å; N567-N571 PolarHBondContact OD1-ND2 3.49Å; N567-A876 PolarHBondContact ND2-O 2.86Å; N567-A876 VanDerWaalsContact ND2-O 3.15Å; N567-C877 PolarHBondContact ND2-O 2.88Å; N567-I879 PolarHBondContact ND2-O 2.95Å; N567-E884 HydrophobicContact CB-CG 4.18Å; N567-E884 PolarHBondContact N-OE1 3.33Å
568	M	94.4	Very high	91.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-58.7	-54.6	171.3	174.9	-160.9	-70.6	0	0	110.5	V263 E267 F562 L564 T565 L570 N571 L572 M583	V263-M568 HydrophobicContact CG2-CE 3.39Å; E267-M568 HydrophobicContact CG-CE 4.35Å; E267-M568 WeakPolarHBondContact OE1-CB 3.38Å; E267-M568 WeakPolarHBondContact OE1-CG 3.47Å; F562-M568 HydrophobicContact CE1-CE 4.24Å; F562-M568 HydrophobicContact CE1-SD 4.29Å; F562-M568 HydrophobicContact CE2-CE 3.81Å; F562-M568 HydrophobicContact CE2-SD 4.4Å; F562-M568 HydrophobicContact CZ-CE 3.52Å; F562-M568 HydrophobicContact CZ-SD 3.62Å; L564-M568 HydrophobicContact CD2-SD 4Å; T565-M568 WeakPolarHBondContact OG1-CB 3.43Å; T565-M568 PolarHBondContact OG1-N 2.93Å; T565-M568 VanDerWaalsContact OG1-N 3.08Å; M568-L570 VanDerWaalsContact C-N 3.29Å; M568-L570 PolarHBondContact O-N 3.41Å; M568-N571 PolarHBondContact O-N 3.39Å; M568-L572 HydrophobicContact CG-CD1 3.66Å; M568-L572 HydrophobicContact CG-CG 4.44Å; M568-L572 WeakPolarHBondContact O-CB 3.25Å; M568-L572 VanDerWaalsContact O-CG 3.29Å; M568-L572 WeakPolarHBondContact O-CG 3.47Å; M568-L572 PolarHBondContact O-N 3.25Å; M568-L572 HydrophobicContact SD-CD1 4.45Å; M568-M583 HydrophobicContact SD-CG 4.27Å
569	V	95.7	Very high	91.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-38.8	-178.1	173.8	0	0	0	0	111.5	L564 T565 Y566 L573 P580 L850 K854 L857	L564-V569 HydrophobicContact CD2-CG2 4.11Å; T565-V569 WeakPolarHBondContact O-CG2 3.26Å; T565-V569 PolarHBondContact O-N 3.48Å; Y566-V569 PolarHBondContact O-N 2.92Å; V569-L573 HydrophobicContact CG1-CD1 4.28Å; V569-L573 WeakPolarHBondContact O-CB 3.47Å; V569-L573 VanDerWaalsContact O-CG 3.26Å; V569-L573 WeakPolarHBondContact O-CG 3.42Å; V569-L573 PolarHBondContact O-N 2.94Å; V569-P580 HydrophobicContact CG1-CG 4.1Å; V569-L850 HydrophobicContact CG1-CD1 4.08Å; V569-L850 HydrophobicContact CG2-CD1 3.72Å; V569-K854 HydrophobicContact CG1-CG 4.36Å; V569-L857 HydrophobicContact CB-CD1 4.41Å; V569-L857 HydrophobicContact CG1-CD1 3.68Å
570	L	95.5	Very high	91.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-71.5	-42.9	178.4	-74.3	170.6	0	0	0	112.6	Y566 N567 M568 L572 L573 R574 L857 F862 I869 A876	Y566-L570 VanDerWaalsContact O-CB 3.28Å; Y566-L570 WeakPolarHBondContact O-CB 3.26Å; Y566-L570 VanDerWaalsContact O-CG 3.25Å; Y566-L570 WeakPolarHBondContact O-CG 3.47Å; Y566-L570 PolarHBondContact O-N 3.48Å; N567-L570 PolarHBondContact O-N 3.41Å; M568-L570 VanDerWaalsContact C-N 3.29Å; M568-L570 PolarHBondContact O-N 3.41Å; L570-L572 VanDerWaalsContact C-N 3.32Å; L570-L572 PolarHBondContact O-N 3.19Å; L570-L573 CarbonylContact O-C 3.57Å; L570-L573 PolarHBondContact O-N 3.35Å; L570-L573 VanDerWaalsContact O-N 3.08Å; L570-R574 WeakPolarHBondContact O-CB 3.47Å; L570-R574 PolarHBondContact O-N 3.07Å; L570-L857 HydrophobicContact CD1-CD2 4.03Å; L570-L857 HydrophobicContact CD2-CD1 3.9Å; L570-L857 HydrophobicContact CD2-CD2 4.04Å; L570-L857 HydrophobicContact CG-CD1 4.07Å; L570-L857 HydrophobicContact CG-CD2 4.06Å; L570-F862 HydrophobicContact CD1-CD1 4.12Å; L570-F862 HydrophobicContact CD2-CB 4.09Å; L570-I869 HydrophobicContact CB-CD1 4.37Å; L570-I869 HydrophobicContact CD2-CD1 4.25Å; L570-I869 HydrophobicContact CD2-CG1 4.27Å; L570-I869 WeakPolarHBondContact O-CD1 3.49Å; L570-A876 HydrophobicContact CD1-CB 3.64Å
571	N	94.3	Very high	91.5	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-36.8	174.9	-81.7	-68.1	0	0	0	111.9	Y236 N567 M568 L573 R574 V575 C877	Y236-N571 HydrophobicContact CD1-CB 3.61Å; Y236-N571 HydrophobicContact CD2-CB 3.99Å; Y236-N571 HydrophobicContact CE1-CB 3.63Å; Y236-N571 HydrophobicContact CE2-CB 4.01Å; Y236-N571 HydrophobicContact CG-CB 3.8Å; N567-N571 PolarHBondContact ND2-ND2 3.37Å; N567-N571 WeakPolarHBondContact O-CB 3.46Å; N567-N571 PolarHBondContact O-N 2.91Å; N567-N571 PolarHBondContact O-ND2 3.21Å; N567-N571 PolarHBondContact OD1-ND2 3.49Å; M568-N571 PolarHBondContact O-N 3.39Å; N571-L573 VanDerWaalsContact C-N 3.26Å; N571-L573 PolarHBondContact O-N 3.38Å; N571-R574 WeakPolarHBondContact O-CB 3.28Å; N571-R574 PolarHBondContact O-N 2.97Å; N571-R574 PolarHBondContact OD1-NE 3.27Å; N571-R574 PolarHBondContact OD1-NH2 3.22Å; N571-R574 VanDerWaalsContact OD1-NH2 3.08Å; N571-V575 PolarHBondContact O-N 2.84Å; N571-V575 VanDerWaalsContact O-N 3.17Å; N571-C877 PolarHBondContact ND2-O 3.25Å
572	L	94	Very high	91.5	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.2	172.4	-65.6	172.8	0	0	0	114.1	Y236 L271 M568 L570 I578 P580 M583	Y236-L572 HydrophobicContact CE1-CD2 3.84Å; Y236-L572 HydrophobicContact CE1-CG 4.06Å; L271-L572 HydrophobicContact CD2-CD2 4.3Å; M568-L572 HydrophobicContact CG-CD1 3.66Å; M568-L572 HydrophobicContact CG-CG 4.44Å; M568-L572 WeakPolarHBondContact O-CB 3.25Å; M568-L572 VanDerWaalsContact O-CG 3.29Å; M568-L572 WeakPolarHBondContact O-CG 3.47Å; M568-L572 PolarHBondContact O-N 3.25Å; M568-L572 HydrophobicContact SD-CD1 4.45Å; L570-L572 VanDerWaalsContact C-N 3.32Å; L570-L572 PolarHBondContact O-N 3.19Å; L572-I578 HydrophobicContact CD2-CB 4.44Å; L572-I578 HydrophobicContact CD2-CG2 3.79Å; L572-I578 VanDerWaalsContact O-O 3.06Å; L572-P580 HydrophobicContact CB-CB 4.45Å; L572-P580 HydrophobicContact CB-CG 3.84Å; L572-M583 HydrophobicContact CD1-CB 3.59Å; L572-M583 HydrophobicContact CD1-CE 4.06Å; L572-M583 HydrophobicContact CD1-CG 3.83Å; L572-M583 HydrophobicContact CD2-CE 4.04Å
573	L	93.3	Very high	91.5	Very high	27 Å²	27	44 Å²	44	14%	0.141	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	1.1	164.8	-68.9	-178.6	0	0	0	112.7	V569 L570 N571 P580 A863 D867	V569-L573 HydrophobicContact CG1-CD1 4.28Å; V569-L573 WeakPolarHBondContact O-CB 3.47Å; V569-L573 VanDerWaalsContact O-CG 3.26Å; V569-L573 WeakPolarHBondContact O-CG 3.42Å; V569-L573 PolarHBondContact O-N 2.94Å; L570-L573 CarbonylContact O-C 3.57Å; L570-L573 PolarHBondContact O-N 3.35Å; L570-L573 VanDerWaalsContact O-N 3.08Å; N571-L573 VanDerWaalsContact C-N 3.26Å; N571-L573 PolarHBondContact O-N 3.38Å; L573-P580 HydrophobicContact CD2-CG 3.9Å; L573-P580 HydrophobicContact CG-CG 3.97Å; L573-A863 HydrophobicContact CD1-CB 4.36Å; L573-D867 HydrophobicContact CD1-CB 4.27Å; L573-D867 HydrophobicContact CD2-CB 3.84Å
574	R	91.7	Very high	91.5	Very high	68 Å²	68	40.9 Å²	40.9	26%	0.257	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-28.8	177.1	-170.6	177.5	76.2	172.4	3.9	112.6	Y236 L570 N571 I869 C877 E878	Y236-R574 PolarHBondContact O-NH2 2.85Å; L570-R574 WeakPolarHBondContact O-CB 3.47Å; L570-R574 PolarHBondContact O-N 3.07Å; N571-R574 WeakPolarHBondContact O-CB 3.28Å; N571-R574 PolarHBondContact O-N 2.97Å; N571-R574 PolarHBondContact OD1-NE 3.27Å; N571-R574 PolarHBondContact OD1-NH2 3.22Å; N571-R574 VanDerWaalsContact OD1-NH2 3.08Å; R574-I869 HydrophobicContact CB-CD1 4.02Å; R574-I869 HydrophobicContact CB-CG2 4.48Å; R574-I869 HydrophobicContact CG-CD1 4.48Å; R574-C877 VanDerWaalsContact NH1-CB 3.32Å; R574-E878 IonicContact CZ-OE1 2.67Å; R574-E878 IonicContact NH1-OE1 3.77Å; R574-E878 PolarHBondContact NH1-OE1 3.28Å; R574-E878 IonicContact NH2-OE1 2.67Å
575	V	88.3	Confident	91.3	Very high	48 Å²	48	46 Å²	46	29%	0.291	22%	0.219	S	C	.	.	S	Bend	trans	-86.4	134.9	175.2	177.4	0	0	0	0	109.2	N571 I578	N571-V575 PolarHBondContact O-N 2.84Å; N571-V575 VanDerWaalsContact O-N 3.17Å; V575-I578 HydrophobicContact CG1-CB 4.35Å; V575-I578 HydrophobicContact CG1-CG1 4.31Å
576	E	78.5	Confident	91.2	Very high	199 Å²	199	46.1 Å²	46.1	93%	0.93	22%	0.217	S	C	*	.	S	Bend	trans	-81.3	-28.7	-174.2	-62.3	-172.3	166.1	0	0	113.8
577	E	80.1	Confident	91.2	Very high	190 Å²	190	45.3 Å²	45.3	89%	0.888	21%	0.213	S	C	*	.	S	Bend	trans	-87.9	-14.4	-173.7	-60.6	-173.7	153.8	0	0	114.2
578	I	87.9	Confident	91.2	Very high	42 Å²	42	44.8 Å²	44.8	22%	0.215	21%	0.211	C	C	.	.			trans	-131.4	143.6	-172.8	-50.3	-179.3	0	0	0	108.3	L271 L572 V575 Y582	L271-I578 HydrophobicContact CD2-CD1 3.74Å; L572-I578 HydrophobicContact CD2-CB 4.44Å; L572-I578 HydrophobicContact CD2-CG2 3.79Å; L572-I578 VanDerWaalsContact O-O 3.06Å; V575-I578 HydrophobicContact CG1-CB 4.35Å; V575-I578 HydrophobicContact CG1-CG1 4.31Å; I578-Y582 HydrophobicContact CG2-CD1 3.68Å; I578-Y582 HydrophobicContact CG2-CE1 4.31Å; I578-Y582 HydrophobicContact CG2-CG 4.36Å
579	N	89.6	Confident	91.1	Very high	77 Å²	77	47.9 Å²	47.9	41%	0.412	22%	0.223	S	C	.	.			trans	-126.4	164.9	175.4	61.8	33.2	0	0	0	111.8	E581 Y582 M583	N579-E581 PolarHBondContact O-N 3.35Å; N579-E581 PolarHBondContact OD1-N 2.83Å; N579-Y582 PolarHBondContact O-N 2.77Å; N579-Y582 WeakPolarHBondContact OD1-CB 3.48Å; N579-Y582 PolarHBondContact OD1-N 3.18Å; N579-M583 PolarHBondContact O-N 3.12Å
580	P	93	Very high	90.9	Very high	2 Å²	2	48 Å²	48	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-31.3	179	-24.6	34.5	0	0	0	113.6	V569 L572 L573 M583 L584 L850	V569-P580 HydrophobicContact CG1-CG 4.1Å; L572-P580 HydrophobicContact CB-CB 4.45Å; L572-P580 HydrophobicContact CB-CG 3.84Å; L573-P580 HydrophobicContact CD2-CG 3.9Å; L573-P580 HydrophobicContact CG-CG 3.97Å; P580-M583 PolarHBondContact O-N 3.37Å; P580-L584 PolarHBondContact O-N 2.91Å; P580-L850 HydrophobicContact CB-CD1 3.65Å; P580-L850 HydrophobicContact CB-CD2 3.85Å; P580-L850 HydrophobicContact CB-CG 4.39Å; P580-L850 HydrophobicContact CG-CD1 4.49Å
581	E	91.6	Very high	90.7	Very high	51 Å²	51	48.2 Å²	48.2	24%	0.238	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-44.7	176.4	-73.3	78.5	-179.8	0	0	112.6	N579 M583 L584 E585 M847 L850 K854	N579-E581 PolarHBondContact O-N 3.35Å; N579-E581 PolarHBondContact OD1-N 2.83Å; E581-M583 PolarHBondContact O-N 3.2Å; E581-L584 WeakPolarHBondContact O-CB 3.05Å; E581-L584 PolarHBondContact O-N 3.36Å; E581-E585 PolarHBondContact O-N 3.01Å; E581-M847 HydrophobicContact CB-CE 4.11Å; E581-M847 HydrophobicContact CG-CE 3.82Å; E581-M847 HydrophobicContact CG-SD 3.86Å; E581-L850 HydrophobicContact CG-CD2 3.94Å; E581-K854 IonicContact OE1-NZ 3.18Å; E581-K854 PolarHBondContact OE1-NZ 3.25Å; E581-K854 IonicContact OE2-NZ 2.67Å; E581-K854 PolarHBondContact OE2-NZ 2.72Å
582	Y	90.8	Very high	90.5	Very high	80 Å²	80	49.2 Å²	49.2	31%	0.314	23%	0.229	S	C	.	.	H	α-helix	trans	-59.9	-42.9	175.7	173.8	-90.2	0	0	0	112.1	I270 I578 N579 L584 E585 K586	I270-Y582 HydrophobicContact CG2-CD1 4.45Å; I270-Y582 HydrophobicContact CG2-CE1 4Å; I578-Y582 HydrophobicContact CG2-CD1 3.68Å; I578-Y582 HydrophobicContact CG2-CE1 4.31Å; I578-Y582 HydrophobicContact CG2-CG 4.36Å; N579-Y582 PolarHBondContact O-N 2.77Å; N579-Y582 WeakPolarHBondContact OD1-CB 3.48Å; N579-Y582 PolarHBondContact OD1-N 3.18Å; Y582-L584 VanDerWaalsContact C-N 3.3Å; Y582-L584 PolarHBondContact O-N 2.97Å; Y582-E585 PolarHBondContact O-N 3.38Å; Y582-K586 HydrophobicContact CD1-CG 4.41Å; Y582-K586 HydrophobicContact CD2-CG 4.32Å; Y582-K586 HydrophobicContact CE1-CG 4.05Å; Y582-K586 HydrophobicContact CE2-CG 3.94Å; Y582-K586 WeakPolarHBondContact O-CB 3.33Å; Y582-K586 PolarHBondContact O-N 2.82Å
583	M	93.3	Very high	90.2	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-40.7	177.2	-179.1	65.5	70.2	0	0	111.5	E267 I270 L271 F562 M568 L572 N579 P580 E581 S587	E267-M583 HydrophobicContact CG-CE 4.19Å; I270-M583 HydrophobicContact CB-CE 4.19Å; I270-M583 HydrophobicContact CB-SD 3.77Å; I270-M583 HydrophobicContact CD1-SD 3.57Å; I270-M583 VanDerWaalsContact CD1-SD 3.57Å; I270-M583 HydrophobicContact CG1-SD 4.29Å; I270-M583 HydrophobicContact CG2-CE 3.96Å; I270-M583 HydrophobicContact CG2-SD 3.62Å; L271-M583 HydrophobicContact CD1-CE 4.48Å; L271-M583 HydrophobicContact CD2-CE 4.15Å; L271-M583 HydrophobicContact CG-CE 3.97Å; F562-M583 HydrophobicContact CE2-CG 3.91Å; F562-M583 HydrophobicContact CE2-SD 4.08Å; F562-M583 HydrophobicContact CZ-CG 3.68Å; F562-M583 HydrophobicContact CZ-SD 4.45Å; M568-M583 HydrophobicContact SD-CG 4.27Å; L572-M583 HydrophobicContact CD1-CB 3.59Å; L572-M583 HydrophobicContact CD1-CE 4.06Å; L572-M583 HydrophobicContact CD1-CG 3.83Å; L572-M583 HydrophobicContact CD2-CE 4.04Å; N579-M583 PolarHBondContact O-N 3.12Å; P580-M583 PolarHBondContact O-N 3.37Å; E581-M583 PolarHBondContact O-N 3.2Å; M583-S587 PolarHBondContact O-N 3Å
584	L	92.1	Very high	89.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-46.9	174.6	-70.3	-176.7	0	0	0	112.5	F562 L564 P580 E581 Y582 K586 S587 Q590 V844 Q846 M847 L850	F562-L584 HydrophobicContact CD1-CD2 4.43Å; F562-L584 HydrophobicContact CE1-CD2 3.67Å; F562-L584 HydrophobicContact CZ-CD2 4.35Å; L564-L584 HydrophobicContact CD1-CD2 4.44Å; L564-L584 HydrophobicContact CD2-CD2 3.88Å; L564-L584 HydrophobicContact CD2-CG 4.4Å; L564-L584 HydrophobicContact CG-CD2 4.22Å; P580-L584 PolarHBondContact O-N 2.91Å; E581-L584 WeakPolarHBondContact O-CB 3.05Å; E581-L584 PolarHBondContact O-N 3.36Å; Y582-L584 VanDerWaalsContact C-N 3.3Å; Y582-L584 PolarHBondContact O-N 2.97Å; L584-K586 PolarHBondContact O-N 3.35Å; L584-S587 WeakPolarHBondContact O-CB 3.35Å; L584-S587 PolarHBondContact O-N 3.47Å; L584-S587 PolarHBondContact O-OG 3.35Å; L584-Q590 WeakPolarHBondContact O-CB 3.34Å; L584-V844 HydrophobicContact CB-CG1 3.86Å; L584-V844 HydrophobicContact CD1-CG1 4.35Å; L584-Q846 HydrophobicContact CD1-CB 4.14Å; L584-Q846 HydrophobicContact CD2-CB 3.73Å; L584-M847 HydrophobicContact CD1-CE 4.26Å; L584-L850 HydrophobicContact CD1-CB 4.07Å; L584-L850 HydrophobicContact CD1-CD2 3.75Å
585	E	89.2	Confident	89.5	Confident	110 Å²	110	52.3 Å²	52.3	51%	0.514	24%	0.241	S	C	.	.	H	α-helix	trans	-64.2	-27.7	179.7	-71.7	178.6	-173	0	0	113.1	E581 Y582 V844	E581-E585 PolarHBondContact O-N 3.01Å; Y582-E585 PolarHBondContact O-N 3.38Å; E585-V844 HydrophobicContact CG-CG2 4.22Å
586	K	92.1	Very high	89.5	Confident	37 Å²	37	52.3 Å²	52.3	16%	0.161	25%	0.246	C	C	.	.	H	α-helix	trans	-96.8	-7	178.2	-71.8	-54.8	-167.4	174.2	0	115.6	I270 W294 H297 L298 Y582 L584	I270-K586 HydrophobicContact CG1-CB 4.39Å; I270-K586 HydrophobicContact CG2-CB 3.89Å; W294-K586 PolarHBondContact NE1-O 2.89Å; H297-K586 PolarHBondContact NE2-NZ 3.25Å; H297-K586 VanDerWaalsContact NE2-NZ 3.15Å; H297-K586 PolarHBondContact O-NZ 3.44Å; L298-K586 HydrophobicContact CD1-CB 3.83Å; L298-K586 HydrophobicContact CD1-CD 3.82Å; L298-K586 HydrophobicContact CD1-CG 3.94Å; Y582-K586 HydrophobicContact CD1-CG 4.41Å; Y582-K586 HydrophobicContact CD2-CG 4.32Å; Y582-K586 HydrophobicContact CE1-CG 4.05Å; Y582-K586 HydrophobicContact CE2-CG 3.94Å; Y582-K586 WeakPolarHBondContact O-CB 3.33Å; Y582-K586 PolarHBondContact O-N 2.82Å; L584-K586 PolarHBondContact O-N 3.35Å
587	S	94.7	Very high	89.8	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.007	20%	0.204	C	C	.	.	S	Bend	trans	-53.8	146.6	176.4	65.6	0	0	0	0	113.2	M583 L584 Y589 Q590 F591	M583-S587 PolarHBondContact O-N 3Å; L584-S587 WeakPolarHBondContact O-CB 3.35Å; L584-S587 PolarHBondContact O-N 3.47Å; L584-S587 PolarHBondContact O-OG 3.35Å; S587-Y589 PolarHBondContact O-N 3.38Å; S587-Q590 PolarHBondContact O-N 2.97Å; S587-Q590 VanDerWaalsContact OG-CB 3.27Å; S587-Q590 WeakPolarHBondContact OG-CB 3.34Å; S587-Q590 PolarHBondContact OG-N 2.71Å; S587-F591 PolarHBondContact O-N 2.92Å; S587-F591 VanDerWaalsContact O-N 3.15Å
588	F	95.4	Very high	90.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-30.9	170.9	-175.6	-127.6	0	0	0	109.8	M256 E266 Q290 F291 W294 L558 Q590 F591 Q592	M256-F588 HydrophobicContact CE-CB 4.36Å; M256-F588 HydrophobicContact CE-CD1 3.34Å; M256-F588 HydrophobicContact CE-CE1 3.79Å; M256-F588 HydrophobicContact CE-CG 4.05Å; E266-F588 HydrophobicContact CG-CB 4.15Å; E266-F588 WeakPolarHBondContact OE2-CA 3.3Å; E266-F588 VanDerWaalsContact OE2-CB 3.27Å; E266-F588 WeakPolarHBondContact OE2-CB 3.5Å; E266-F588 PolarHBondContact OE2-N 3.42Å; Q290-F588 HydrophobicContact CG-CE2 4.18Å; Q290-F588 HydrophobicContact CG-CZ 4.27Å; F291-F588 HydrophobicContact CB-CZ 4.47Å; W294-F588 HydrophobicContact CB-CD2 3.59Å; W294-F588 HydrophobicContact CB-CE2 3.88Å; W294-F588 HydrophobicContact CD2-CB 3.79Å; W294-F588 AromaticContact CD2-CD2 3.65Å; W294-F588 HydrophobicContact CD2-CD2 3.65Å; W294-F588 HydrophobicContact CD2-CG 4.05Å; W294-F588 HydrophobicContact CE3-CB 4.07Å; W294-F588 AromaticContact CE3-CD2 3.93Å; W294-F588 HydrophobicContact CE3-CD2 3.93Å; W294-F588 HydrophobicContact CE3-CG 4.15Å; W294-F588 HydrophobicContact CG-CB 4.3Å; W294-F588 AromaticContact CG-CD2 3.5Å; W294-F588 HydrophobicContact CG-CD2 3.5Å; W294-F588 HydrophobicContact CG-CE2 4.29Å; W294-F588 HydrophobicContact CG-CG 4.32Å; W294-F588 HydrophobicContact CH2-CB 4.2Å; W294-F588 HydrophobicContact CZ2-CB 3.92Å; W294-F588 HydrophobicContact CZ3-CB 4.26Å; L558-F588 WeakPolarHBondContact O-CE1 3.37Å; F588-Q590 PolarHBondContact O-N 3.32Å; F588-F591 HydrophobicContact CD2-CB 4.41Å; F588-F591 HydrophobicContact CD2-CD1 4.11Å; F588-F591 HydrophobicContact CE2-CD1 4.06Å; F588-F591 PolarHBondContact O-N 3.39Å; F588-Q592 HydrophobicContact CD1-CG 3.98Å; F588-Q592 HydrophobicContact CD2-CG 4.04Å; F588-Q592 VanDerWaalsContact CE1-CD 3.43Å; F588-Q592 HydrophobicContact CE1-CG 3.69Å; F588-Q592 HydrophobicContact CE2-CG 3.75Å; F588-Q592 HydrophobicContact CG-CG 4.17Å; F588-Q592 HydrophobicContact CZ-CG 3.57Å; F588-Q592 WeakPolarHBondContact O-CB 3.33Å; F588-Q592 WeakPolarHBondContact O-CG 3.49Å; F588-Q592 PolarHBondContact O-N 3.36Å
589	Y	92.8	Very high	90.1	Very high	65 Å²	65	37.2 Å²	37.2	26%	0.255	19%	0.192	S	C	.	.	H	α-helix	trans	-48.4	-58.8	169.6	-163.4	-110.8	0	0	0	112.4	E266 S560 S587 F591 Q592 H593 L845	E266-Y589 PolarHBondContact OE2-N 3.47Å; S560-Y589 VanDerWaalsContact CB-N 3.33Å; S560-Y589 WeakPolarHBondContact OG-CA 3.34Å; S560-Y589 WeakPolarHBondContact OG-CB 3.46Å; S560-Y589 WeakPolarHBondContact OG-CD2 3.24Å; S560-Y589 PolarHBondContact OG-N 3.43Å; S587-Y589 PolarHBondContact O-N 3.38Å; Y589-F591 VanDerWaalsContact C-N 3.31Å; Y589-F591 PolarHBondContact O-N 3.19Å; Y589-Q592 PolarHBondContact O-N 2.82Å; Y589-H593 AromaticContact CD1-CD2 3.82Å; Y589-H593 AromaticContact CE1-CD2 3.66Å; Y589-H593 AromaticContact CE1-NE2 3.53Å; Y589-H593 AromaticContact CE2-NE2 3.62Å; Y589-H593 AromaticContact CZ-CD2 3.83Å; Y589-H593 AromaticContact CZ-NE2 3.25Å; Y589-H593 PolarHBondContact O-CD2 3.11Å; Y589-H593 PolarHBondContact O-N 3.16Å; Y589-H593 PolarHBondContact OH-NE2 3.17Å; Y589-L845 HydrophobicContact CE1-CB 4.2Å; Y589-L845 HydrophobicContact CE1-CD1 3.78Å
590	Q	89.8	Confident	89.9	Confident	2 Å²	2	34.2 Å²	34.2	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-34.6	-176.4	-167.4	60	54.4	0	0	111.4	L584 S587 F588 H593 Y594	L584-Q590 WeakPolarHBondContact O-CB 3.34Å; S587-Q590 PolarHBondContact O-N 2.97Å; S587-Q590 VanDerWaalsContact OG-CB 3.27Å; S587-Q590 WeakPolarHBondContact OG-CB 3.34Å; S587-Q590 PolarHBondContact OG-N 2.71Å; F588-Q590 PolarHBondContact O-N 3.32Å; Q590-H593 PolarHBondContact O-N 3.4Å; Q590-Y594 HydrophobicContact CG-CD2 4.22Å; Q590-Y594 HydrophobicContact CG-CE1 4.44Å; Q590-Y594 HydrophobicContact CG-CE2 3.66Å; Q590-Y594 VanDerWaalsContact NE2-CZ 3.33Å; Q590-Y594 WeakPolarHBondContact O-CD2 3.26Å; Q590-Y594 PolarHBondContact O-N 3.46Å
591	F	91.6	Very high	89.6	Confident	6 Å²	6	36.8 Å²	36.8	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-46.2	172	-176.7	-82	0	0	0	112.6	P96 Q290 E293 W294 H297 S587 F588 Y589 H593 Y594 R595	P96-F591 HydrophobicContact CB-CD2 4.19Å; P96-F591 HydrophobicContact CB-CE2 3.49Å; P96-F591 VanDerWaalsContact CB-CE2 3.49Å; P96-F591 HydrophobicContact CB-CZ 4.13Å; P96-F591 HydrophobicContact CG-CD2 3.71Å; P96-F591 HydrophobicContact CG-CE2 3.4Å; P96-F591 HydrophobicContact CG-CZ 4Å; Q290-F591 HydrophobicContact CG-CD1 4.47Å; Q290-F591 HydrophobicContact CG-CE1 4.04Å; Q290-F591 WeakPolarHBondContact O-CE1 3.45Å; E293-F591 HydrophobicContact CB-CE1 4.28Å; E293-F591 HydrophobicContact CB-CZ 3.66Å; W294-F591 HydrophobicContact CB-CD1 3.81Å; W294-F591 HydrophobicContact CB-CD2 4.01Å; W294-F591 HydrophobicContact CB-CE1 3.95Å; W294-F591 HydrophobicContact CB-CE2 4.11Å; W294-F591 HydrophobicContact CB-CG 3.87Å; W294-F591 HydrophobicContact CB-CZ 4.12Å; W294-F591 AromaticContact CD1-CD2 3.86Å; W294-F591 AromaticContact CD1-CG 3.77Å; W294-F591 HydrophobicContact CG-CB 4.36Å; W294-F591 HydrophobicContact CG-CD1 4.46Å; W294-F591 HydrophobicContact CG-CD2 4.35Å; W294-F591 HydrophobicContact CG-CG 4.15Å; H297-F591 HydrophobicContact CB-CD2 4.35Å; H297-F591 HydrophobicContact CB-CE2 3.89Å; S587-F591 PolarHBondContact O-N 2.92Å; S587-F591 VanDerWaalsContact O-N 3.15Å; F588-F591 HydrophobicContact CD2-CB 4.41Å; F588-F591 HydrophobicContact CD2-CD1 4.11Å; F588-F591 HydrophobicContact CE2-CD1 4.06Å; F588-F591 PolarHBondContact O-N 3.39Å; Y589-F591 VanDerWaalsContact C-N 3.31Å; Y589-F591 PolarHBondContact O-N 3.19Å; F591-H593 VanDerWaalsContact C-N 3.34Å; F591-H593 PolarHBondContact O-N 3.02Å; F591-Y594 PolarHBondContact O-N 2.83Å; F591-R595 HydrophobicContact CD1-CG 4.31Å; F591-R595 HydrophobicContact CE1-CG 3.75Å; F591-R595 HydrophobicContact CZ-CG 4.11Å; F591-R595 PolarHBondContact O-N 3.15Å
592	Q	91.1	Very high	89.5	Confident	23 Å²	23	40 Å²	40	11%	0.107	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-42.1	177.2	-72.4	-159.6	-66.5	0	0	111.2	L558 N559 F588 Y589 R595 A596	L558-Q592 PolarHBondContact O-NE2 2.74Å; N559-Q592 PolarHBondContact OD1-NE2 2.65Å; F588-Q592 HydrophobicContact CD1-CG 3.98Å; F588-Q592 HydrophobicContact CD2-CG 4.04Å; F588-Q592 VanDerWaalsContact CE1-CD 3.43Å; F588-Q592 HydrophobicContact CE1-CG 3.69Å; F588-Q592 HydrophobicContact CE2-CG 3.75Å; F588-Q592 HydrophobicContact CG-CG 4.17Å; F588-Q592 HydrophobicContact CZ-CG 3.57Å; F588-Q592 WeakPolarHBondContact O-CB 3.33Å; F588-Q592 WeakPolarHBondContact O-CG 3.49Å; F588-Q592 PolarHBondContact O-N 3.36Å; Y589-Q592 PolarHBondContact O-N 2.82Å; Q592-R595 PolarHBondContact O-N 2.91Å; Q592-A596 WeakPolarHBondContact O-CB 3.45Å; Q592-A596 PolarHBondContact O-N 3.22Å
593	H	86.6	Confident	89.3	Confident	55 Å²	55	40.8 Å²	40.8	26%	0.255	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-46.9	174.9	-81.5	-72	0	0	0	112.3	Y589 Q590 F591 R595 A596 I597 L845	Y589-H593 AromaticContact CD1-CD2 3.82Å; Y589-H593 AromaticContact CE1-CD2 3.66Å; Y589-H593 AromaticContact CE1-NE2 3.53Å; Y589-H593 AromaticContact CE2-NE2 3.62Å; Y589-H593 AromaticContact CZ-CD2 3.83Å; Y589-H593 AromaticContact CZ-NE2 3.25Å; Y589-H593 PolarHBondContact O-CD2 3.11Å; Y589-H593 PolarHBondContact O-N 3.16Å; Y589-H593 PolarHBondContact OH-NE2 3.17Å; Q590-H593 PolarHBondContact O-N 3.4Å; F591-H593 VanDerWaalsContact C-N 3.34Å; F591-H593 PolarHBondContact O-N 3.02Å; H593-R595 VanDerWaalsContact C-N 3.34Å; H593-R595 PolarHBondContact O-N 3.06Å; H593-A596 PolarHBondContact O-N 2.81Å; H593-A596 VanDerWaalsContact O-N 3.08Å; H593-I597 PolarHBondContact O-N 3.25Å; H593-L845 HydrophobicContact CB-CD1 4.38Å; H593-L845 WeakPolarHBondContact CD2-CD1 3.49Å; H593-L845 WeakPolarHBondContact NE2-CD1 3.46Å
594	Y	86.1	Confident	89.1	Confident	38 Å²	38	41.3 Å²	41.3	15%	0.149	22%	0.215	C	C	.	.	H	α-helix	trans	-61.5	-39.3	175.4	-67.3	-33.4	0	0	0	112.7	L94 Q590 F591 A596 I597	L94-Y594 HydrophobicContact CD2-CE1 4.35Å; Q590-Y594 HydrophobicContact CG-CD2 4.22Å; Q590-Y594 HydrophobicContact CG-CE1 4.44Å; Q590-Y594 HydrophobicContact CG-CE2 3.66Å; Q590-Y594 VanDerWaalsContact NE2-CZ 3.33Å; Q590-Y594 WeakPolarHBondContact O-CD2 3.26Å; Q590-Y594 PolarHBondContact O-N 3.46Å; F591-Y594 PolarHBondContact O-N 2.83Å; Y594-A596 VanDerWaalsContact C-N 3.31Å; Y594-A596 PolarHBondContact O-N 3.41Å; Y594-I597 HydrophobicContact CD1-CD1 4.09Å
595	R	86.1	Confident	89	Confident	71 Å²	71	47.4 Å²	47.4	27%	0.268	24%	0.241	S	C	.	.	H	α-helix	trans	-69.1	-23.7	173.6	-85.9	-63.2	-160.8	-143.1	1.3	113.7	E293 F591 Q592 H593	E293-R595 IonicContact OE1-NH2 2.75Å; E293-R595 IonicContact OE2-CZ 2.81Å; E293-R595 IonicContact OE2-NE 3.55Å; E293-R595 PolarHBondContact OE2-NE 3.29Å; E293-R595 IonicContact OE2-NH2 3.57Å; E293-R595 PolarHBondContact OE2-NH2 3.05Å; F591-R595 HydrophobicContact CD1-CG 4.31Å; F591-R595 HydrophobicContact CE1-CG 3.75Å; F591-R595 HydrophobicContact CZ-CG 4.11Å; F591-R595 PolarHBondContact O-N 3.15Å; Q592-R595 PolarHBondContact O-N 2.91Å; H593-R595 VanDerWaalsContact C-N 3.34Å; H593-R595 PolarHBondContact O-N 3.06Å
596	A	86.4	Confident	89.1	Confident	48 Å²	48	45.1 Å²	45.1	40%	0.397	23%	0.233	S	C	.	.	H	α-helix	trans	-80	-25.9	177.6	0	0	0	0	0	113.8	Q592 H593 Y594 G599 V600	Q592-A596 WeakPolarHBondContact O-CB 3.45Å; Q592-A596 PolarHBondContact O-N 3.22Å; H593-A596 PolarHBondContact O-N 2.81Å; H593-A596 VanDerWaalsContact O-N 3.08Å; Y594-A596 VanDerWaalsContact C-N 3.31Å; Y594-A596 PolarHBondContact O-N 3.41Å; A596-G599 PolarHBondContact O-N 3.35Å; A596-V600 PolarHBondContact O-N 3.13Å; A596-V600 VanDerWaalsContact O-N 3.13Å
597	I	85.9	Confident	89	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-48.5	-48.4	-175.7	-73	169.1	0	0	0	113.8	L91 H593 Y594 G599 V600 V601 L838 A841	L91-I597 HydrophobicContact CD2-CD1 4.49Å; L91-I597 HydrophobicContact CD2-CG2 3.78Å; H593-I597 PolarHBondContact O-N 3.25Å; Y594-I597 HydrophobicContact CD1-CD1 4.09Å; I597-G599 VanDerWaalsContact C-N 3.28Å; I597-G599 PolarHBondContact O-N 2.88Å; I597-V600 PolarHBondContact O-N 3.41Å; I597-V601 HydrophobicContact CG2-CG2 4.24Å; I597-V601 WeakPolarHBondContact O-CG2 3.5Å; I597-V601 PolarHBondContact O-N 3.27Å; I597-L838 HydrophobicContact CG2-CD1 3.79Å; I597-A841 HydrophobicContact CD1-CB 3.9Å; I597-A841 HydrophobicContact CG1-CB 3.6Å
598	P	86.7	Confident	88.8	Confident	63 Å²	63	46.8 Å²	46.8	41%	0.409	24%	0.243	S	C	.	.	H	α-helix	trans	-58.8	-38	-179.9	-25.8	36.1	0	0	0	113.3	M95 V601 E602	M95-P598 HydrophobicContact CE-CG 4.31Å; P598-V601 PolarHBondContact O-N 2.96Å; P598-E602 PolarHBondContact O-N 3.36Å
599	G	87.1	Confident	88.7	Confident	43 Å²	43	50.8 Å²	50.8	44%	0.443	26%	0.262	S	S	.	.	H	α-helix	trans	-69.5	-33.3	175.6	0	0	0	0	0	113.1	A596 I597 K603	A596-G599 PolarHBondContact O-N 3.35Å; I597-G599 VanDerWaalsContact C-N 3.28Å; I597-G599 PolarHBondContact O-N 2.88Å; G599-K603 WeakPolarHBondContact O-CB 3.19Å; G599-K603 PolarHBondContact O-N 2.94Å
600	V	85.8	Confident	88.6	Confident	13 Å²	13	52.6 Å²	52.6	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-68.5	-40.3	172.4	-178.8	0	0	0	0	110.9	A596 I597 K603 V604 A834 E837 L838	A596-V600 PolarHBondContact O-N 3.13Å; A596-V600 VanDerWaalsContact O-N 3.13Å; I597-V600 PolarHBondContact O-N 3.41Å; V600-K603 PolarHBondContact O-N 3.23Å; V600-V604 WeakPolarHBondContact O-CG2 3.27Å; V600-V604 PolarHBondContact O-N 3.42Å; V600-A834 WeakPolarHBondContact CG1-O 3.4Å; V600-E837 HydrophobicContact CG1-CB 4.38Å; V600-E837 HydrophobicContact CG1-CG 4.16Å; V600-E837 HydrophobicContact CG2-CG 4.28Å; V600-L838 HydrophobicContact CG1-CB 4.09Å
601	V	87.1	Confident	88.6	Confident	57 Å²	57	54.3 Å²	54.3	35%	0.345	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-44.7	174.5	173.7	0	0	0	0	111	I597 P598 V604 K605 L838	I597-V601 HydrophobicContact CG2-CG2 4.24Å; I597-V601 WeakPolarHBondContact O-CG2 3.5Å; I597-V601 PolarHBondContact O-N 3.27Å; P598-V601 PolarHBondContact O-N 2.96Å; V601-V604 PolarHBondContact O-N 2.9Å; V601-K605 PolarHBondContact O-N 3.02Å; V601-L838 HydrophobicContact CG2-CD1 3.74Å; V601-L838 HydrophobicContact CG2-CD2 4.02Å
602	E	88.4	Confident	88.5	Confident	118 Å²	118	59.7 Å²	59.7	55%	0.551	31%	0.309	S	S	*	.	H	α-helix	trans	-64.1	-43.5	176	-155.8	-156.1	135.3	0	0	111.9	P598 V604 K605 N606	P598-E602 PolarHBondContact O-N 3.36Å; E602-V604 PolarHBondContact O-N 3.04Å; E602-K605 PolarHBondContact O-N 3.2Å; E602-N606 WeakPolarHBondContact O-CB 3.45Å; E602-N606 VanDerWaalsContact O-CG 3.23Å; E602-N606 PolarHBondContact O-N 2.74Å; E602-N606 PolarHBondContact O-ND2 3.31Å; E602-N606 PolarHBondContact OE1-ND2 3.31Å
603	K	87.6	Confident	88.6	Confident	96 Å²	96	65.2 Å²	65.2	42%	0.417	33%	0.332	S	S	.	.	H	α-helix	trans	-56.9	-45.9	173.8	176.6	-173.3	171.7	-164	0	111.7	G599 V600 N606 S607 E837	G599-K603 WeakPolarHBondContact O-CB 3.19Å; G599-K603 PolarHBondContact O-N 2.94Å; V600-K603 PolarHBondContact O-N 3.23Å; K603-N606 PolarHBondContact O-N 3.28Å; K603-S607 WeakPolarHBondContact O-CB 3.35Å; K603-S607 PolarHBondContact O-N 3.06Å; K603-S607 PolarHBondContact O-OG 2.97Å; K603-E837 IonicContact NZ-OE1 3.04Å; K603-E837 IonicContact NZ-OE2 2.69Å; K603-E837 PolarHBondContact NZ-OE2 2.98Å
604	V	88.2	Confident	88.7	Confident	12 Å²	12	64.2 Å²	64.2	7%	0.073	33%	0.328	C	S	.	.	H	α-helix	trans	-57.9	-50	174.7	167.4	0	0	0	0	110.8	V600 V601 E602 N606 S607 E608 A834 K835	V600-V604 WeakPolarHBondContact O-CG2 3.27Å; V600-V604 PolarHBondContact O-N 3.42Å; V601-V604 PolarHBondContact O-N 2.9Å; E602-V604 PolarHBondContact O-N 3.04Å; V604-N606 PolarHBondContact O-N 2.89Å; V604-S607 PolarHBondContact O-N 3.08Å; V604-E608 WeakPolarHBondContact O-CB 3.28Å; V604-E608 WeakPolarHBondContact O-CG 3.47Å; V604-E608 PolarHBondContact O-N 2.9Å; V604-A834 HydrophobicContact CG2-CB 3.55Å; V604-K835 HydrophobicContact CG1-CD 4.43Å; V604-K835 HydrophobicContact CG1-CG 4.12Å; V604-K835 HydrophobicContact CG2-CG 4.08Å
605	K	90.3	Very high	88.7	Confident	129 Å²	129	68.1 Å²	68.1	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-60.7	-46	179.3	-177.9	-177.3	175.4	-174	0	112.1	V601 E602 E608 E609	V601-K605 PolarHBondContact O-N 3.02Å; E602-K605 PolarHBondContact O-N 3.2Å; K605-E608 PolarHBondContact O-N 3.04Å; K605-E609 PolarHBondContact O-N 3.46Å
606	N	91.3	Very high	88.7	Confident	63 Å²	63	65.1 Å²	65.1	34%	0.337	35%	0.345	S	S	.	.	H	α-helix	trans	-64.9	-39.8	179.5	-71.5	-22.1	0	0	0	111.7	E602 K603 V604 E609 Q610	E602-N606 WeakPolarHBondContact O-CB 3.45Å; E602-N606 VanDerWaalsContact O-CG 3.23Å; E602-N606 PolarHBondContact O-N 2.74Å; E602-N606 PolarHBondContact O-ND2 3.31Å; E602-N606 PolarHBondContact OE1-ND2 3.31Å; K603-N606 PolarHBondContact O-N 3.28Å; V604-N606 PolarHBondContact O-N 2.89Å; N606-E609 PolarHBondContact O-N 3.47Å; N606-Q610 WeakPolarHBondContact O-CG 3.42Å; N606-Q610 PolarHBondContact O-N 3.03Å
607	S	90.8	Very high	88.3	Confident	21 Å²	21	66.9 Å²	66.9	15%	0.147	35%	0.352	C	S	.	.	H	α-helix	trans	-69.8	-38.8	173.6	-68.1	0	0	0	0	112.7	K603 V604 E609 Q610 Y611 I827	K603-S607 WeakPolarHBondContact O-CB 3.35Å; K603-S607 PolarHBondContact O-N 3.06Å; K603-S607 PolarHBondContact O-OG 2.97Å; V604-S607 PolarHBondContact O-N 3.08Å; S607-E609 VanDerWaalsContact C-N 3.34Å; S607-Q610 PolarHBondContact O-N 3.4Å; S607-Y611 WeakPolarHBondContact O-CB 3.38Å; S607-Y611 PolarHBondContact O-N 3.41Å; S607-I827 WeakPolarHBondContact O-CG2 3.15Å
608	E	90.1	Very high	88	Confident	52 Å²	52	72.6 Å²	72.6	24%	0.243	38%	0.383	C	S	.	.	H	α-helix	trans	-63.3	-39.2	173.1	-77.2	-172.3	152	0	0	111.7	V604 K605 Y611 N612 I831 K835	V604-E608 WeakPolarHBondContact O-CB 3.28Å; V604-E608 WeakPolarHBondContact O-CG 3.47Å; V604-E608 PolarHBondContact O-N 2.9Å; K605-E608 PolarHBondContact O-N 3.04Å; E608-Y611 PolarHBondContact O-N 2.9Å; E608-N612 WeakPolarHBondContact O-CB 3.28Å; E608-N612 VanDerWaalsContact O-CG 3.32Å; E608-N612 PolarHBondContact O-N 3.48Å; E608-N612 PolarHBondContact O-ND2 3.19Å; E608-I831 HydrophobicContact CG-CD1 3.89Å; E608-I831 HydrophobicContact CG-CG1 4.21Å; E608-I831 HydrophobicContact CG-CG2 4.12Å; E608-K835 VanDerWaalsContact OE1-CE 3.31Å; E608-K835 WeakPolarHBondContact OE1-CE 3.3Å; E608-K835 IonicContact OE1-NZ 3.93Å; E608-K835 PolarHBondContact OE1-NZ 2.67Å
609	E	92.2	Very high	87.8	Confident	83 Å²	83	71.9 Å²	71.9	39%	0.388	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-44.7	169.9	-84	-164.5	-148.4	0	0	112.3	K605 N606 S607 N612 K613	K605-E609 PolarHBondContact O-N 3.46Å; N606-E609 PolarHBondContact O-N 3.47Å; S607-E609 VanDerWaalsContact C-N 3.34Å; E609-N612 PolarHBondContact O-N 2.8Å; E609-K613 WeakPolarHBondContact O-CB 3.31Å; E609-K613 VanDerWaalsContact O-CD 3.3Å; E609-K613 WeakPolarHBondContact O-CD 3.36Å; E609-K613 WeakPolarHBondContact O-CG 3.1Å; E609-K613 PolarHBondContact O-N 3.08Å; E609-K613 WeakPolarHBondContact OE2-CE 3.08Å; E609-K613 IonicContact OE2-NZ 3.65Å; E609-K613 PolarHBondContact OE2-NZ 3.11Å
610	Q	90.8	Very high	87.6	Confident	104 Å²	104	77.1 Å²	77.1	49%	0.486	39%	0.387	S	S	.	.	H	α-helix	trans	-63.4	-42.4	176.9	-72.6	-179	13.2	0	0	112.2	N606 S607 N612 K613 I614 I827	N606-Q610 WeakPolarHBondContact O-CG 3.42Å; N606-Q610 PolarHBondContact O-N 3.03Å; S607-Q610 PolarHBondContact O-N 3.4Å; Q610-N612 VanDerWaalsContact C-N 3.32Å; Q610-N612 PolarHBondContact O-N 3.34Å; Q610-K613 PolarHBondContact O-N 2.7Å; Q610-I614 PolarHBondContact O-N 3.01Å; Q610-I827 HydrophobicContact CB-CD1 4.3Å
611	Y	90.9	Very high	87.7	Confident	38 Å²	38	80.2 Å²	80.2	15%	0.149	40%	0.403	C	S	.	.	H	α-helix	trans	-58.8	-43.2	175.3	-177.1	-91.7	0	0	0	112	S607 E608 I614 K824 I827 A828 I831	S607-Y611 WeakPolarHBondContact O-CB 3.38Å; S607-Y611 PolarHBondContact O-N 3.41Å; E608-Y611 PolarHBondContact O-N 2.9Å; Y611-I614 PolarHBondContact O-N 3.31Å; Y611-K824 HydrophobicContact CD2-CG 3.68Å; Y611-K824 HydrophobicContact CE2-CD 4.17Å; Y611-K824 HydrophobicContact CE2-CG 3.39Å; Y611-K824 WeakPolarHBondContact CE2-O 3.39Å; Y611-I827 HydrophobicContact CD2-CG2 4.47Å; Y611-A828 HydrophobicContact CD2-CB 4.26Å; Y611-A828 HydrophobicContact CE2-CB 3.86Å; Y611-I831 HydrophobicContact CG-CD1 4.33Å
612	N	89.9	Confident	87.7	Confident	119 Å²	119	77.5 Å²	77.5	64%	0.636	39%	0.387	S	S	*	.	H	α-helix	trans	-73.1	-25.6	177.9	-71.8	-49.8	0	0	0	113.2	E608 E609 Q610 I614	E608-N612 WeakPolarHBondContact O-CB 3.28Å; E608-N612 VanDerWaalsContact O-CG 3.32Å; E608-N612 PolarHBondContact O-N 3.48Å; E608-N612 PolarHBondContact O-ND2 3.19Å; E609-N612 PolarHBondContact O-N 2.8Å; Q610-N612 VanDerWaalsContact C-N 3.32Å; Q610-N612 PolarHBondContact O-N 3.34Å; N612-I614 VanDerWaalsContact C-N 3.34Å
613	K	92.8	Very high	87.7	Confident	139 Å²	139	72.7 Å²	72.7	60%	0.604	37%	0.365	S	S	*	.	H	α-helix	trans	-73.3	-22.2	174.1	-73	159.8	-167.6	170.5	0	112.8	E609 Q610 V615	E609-K613 WeakPolarHBondContact O-CB 3.31Å; E609-K613 VanDerWaalsContact O-CD 3.3Å; E609-K613 WeakPolarHBondContact O-CD 3.36Å; E609-K613 WeakPolarHBondContact O-CG 3.1Å; E609-K613 PolarHBondContact O-N 3.08Å; E609-K613 WeakPolarHBondContact OE2-CE 3.08Å; E609-K613 IonicContact OE2-NZ 3.65Å; E609-K613 PolarHBondContact OE2-NZ 3.11Å; Q610-K613 PolarHBondContact O-N 2.7Å; K613-V615 PolarHBondContact O-N 3.07Å
614	I	89.3	Confident	87.8	Confident	34 Å²	34	71.4 Å²	71.4	17%	0.174	36%	0.363	C	S	.	.			trans	-87.4	94.6	176.8	-58.3	171	0	0	0	110.4	Q610 Y611 N612 I616 L820 K823 K824 I827	Q610-I614 PolarHBondContact O-N 3.01Å; Y611-I614 PolarHBondContact O-N 3.31Å; N612-I614 VanDerWaalsContact C-N 3.34Å; I614-I616 HydrophobicContact CG2-CD1 4.42Å; I614-I616 HydrophobicContact CG2-CG1 4.01Å; I614-L820 HydrophobicContact CG2-CD2 4.37Å; I614-K823 HydrophobicContact CD1-CB 4.48Å; I614-K824 HydrophobicContact CB-CD 4.35Å; I614-K824 HydrophobicContact CG2-CB 4.21Å; I614-K824 HydrophobicContact CG2-CD 4.14Å; I614-K824 WeakPolarHBondContact O-CE 3.34Å; I614-K824 PolarHBondContact O-NZ 3.28Å; I614-I827 HydrophobicContact CD1-CD1 3.6Å
615	V	85.5	Confident	87.9	Confident	119 Å²	119	71 Å²	71	72%	0.721	36%	0.36	S	S	*	.			trans	-88.8	125.9	170.2	-176.5	0	0	0	0	109.4	K613	K613-V615 PolarHBondContact O-N 3.07Å
616	I	85.4	Confident	87.8	Confident	8 Å²	8	65.6 Å²	65.6	4%	0.041	34%	0.336	C	S	.	.			trans	-110.4	123.8	-179.2	-55.5	-177.9	0	0	0	109.3	I614 N618 E619 V622 V817 L820 C821 K824	I614-I616 HydrophobicContact CG2-CD1 4.42Å; I614-I616 HydrophobicContact CG2-CG1 4.01Å; I616-N618 PolarHBondContact O-N 3.35Å; I616-E619 HydrophobicContact CB-CB 4Å; I616-E619 HydrophobicContact CB-CG 4.04Å; I616-E619 HydrophobicContact CD1-CG 4.36Å; I616-E619 HydrophobicContact CG2-CB 4.38Å; I616-E619 PolarHBondContact O-N 3.29Å; I616-V622 HydrophobicContact CG2-CB 4.23Å; I616-V622 HydrophobicContact CG2-CG1 4.4Å; I616-V622 HydrophobicContact CG2-CG2 3.76Å; I616-V817 HydrophobicContact CG2-CG1 4.1Å; I616-L820 HydrophobicContact CD1-CB 4.42Å; I616-L820 HydrophobicContact CG1-CB 4.33Å; I616-C821 HydrophobicContact CD1-CB 4.09Å; I616-K824 HydrophobicContact CD1-CB 4.06Å; I616-K824 HydrophobicContact CD1-CD 3.62Å; I616-K824 HydrophobicContact CD1-CG 4.46Å; I616-K824 HydrophobicContact CG1-CD 4.1Å
617	P	78.3	Confident	87.8	Confident	85 Å²	85	66.1 Å²	66.1	55%	0.552	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	129.7	171.7	-23.2	34.2	0	0	0	111.3	E619 V622	P617-E619 VanDerWaalsContact C-N 3.26Å; P617-E619 PolarHBondContact O-N 3.2Å; P617-V622 WeakPolarHBondContact O-CG2 3.39Å
618	N	80.3	Confident	87.8	Confident	128 Å²	128	65.5 Å²	65.5	68%	0.684	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	37	-178.8	-58	-25.8	0	0	0	114.5	I616 E620 N621 V622	I616-N618 PolarHBondContact O-N 3.35Å; N618-E620 PolarHBondContact O-N 3.44Å; N618-N621 PolarHBondContact O-N 3.19Å; N618-V622 PolarHBondContact O-N 3.33Å
619	E	81.6	Confident	87.8	Confident	49 Å²	49	67.1 Å²	67.1	23%	0.229	33%	0.334	C	S	.	.	H	α-helix	trans	-40.1	-42.6	-171.1	-170.7	163.4	161.8	0	0	115.2	I616 P617 N621 V622 V623 K824	I616-E619 HydrophobicContact CB-CB 4Å; I616-E619 HydrophobicContact CB-CG 4.04Å; I616-E619 HydrophobicContact CD1-CG 4.36Å; I616-E619 HydrophobicContact CG2-CB 4.38Å; I616-E619 PolarHBondContact O-N 3.29Å; P617-E619 VanDerWaalsContact C-N 3.26Å; P617-E619 PolarHBondContact O-N 3.2Å; E619-N621 PolarHBondContact O-N 3.46Å; E619-V622 WeakPolarHBondContact O-CB 3.25Å; E619-V622 PolarHBondContact O-N 3.32Å; E619-V622 VanDerWaalsContact O-N 3.15Å; E619-V623 HydrophobicContact CG-CG2 4.14Å; E619-V623 WeakPolarHBondContact O-CB 3.48Å; E619-V623 VanDerWaalsContact O-CG2 3.31Å; E619-V623 WeakPolarHBondContact O-CG2 3.43Å; E619-V623 PolarHBondContact O-N 3.35Å; E619-K824 VanDerWaalsContact OE1-CE 3.23Å; E619-K824 WeakPolarHBondContact OE1-CE 3.47Å; E619-K824 IonicContact OE1-NZ 2.7Å; E619-K824 PolarHBondContact OE1-NZ 3.44Å; E619-K824 IonicContact OE2-NZ 2.71Å; E619-K824 PolarHBondContact OE2-NZ 2.67Å
620	E	84.1	Confident	87.7	Confident	153 Å²	153	67.1 Å²	67.1	72%	0.715	33%	0.334	S	S	*	.	H	α-helix	trans	-57.2	-46.8	179.5	-174.1	167.8	-156.5	0	0	113.3	N618 V622 V623 I624	N618-E620 PolarHBondContact O-N 3.44Å; E620-V622 VanDerWaalsContact C-N 3.33Å; E620-V622 PolarHBondContact O-N 3.31Å; E620-V623 PolarHBondContact O-N 2.82Å; E620-I624 HydrophobicContact CG-CD1 4.24Å; E620-I624 WeakPolarHBondContact O-CD1 3.25Å; E620-I624 VanDerWaalsContact O-CG1 3.28Å; E620-I624 WeakPolarHBondContact O-CG1 3.32Å; E620-I624 PolarHBondContact O-N 2.92Å
621	N	86	Confident	87.7	Confident	77 Å²	77	65.1 Å²	65.1	41%	0.412	33%	0.325	S	S	.	.	H	α-helix	trans	-67.6	-35.3	176.9	-71.1	-27.6	0	0	0	111.6	N618 E619 I624 Y625 H806	N618-N621 PolarHBondContact O-N 3.19Å; E619-N621 PolarHBondContact O-N 3.46Å; N621-I624 PolarHBondContact O-N 3.12Å; N621-Y625 WeakPolarHBondContact O-CB 3.27Å; N621-Y625 PolarHBondContact O-N 2.79Å; N621-H806 PolarHBondContact O-CE1 3.15Å; N621-H806 PolarHBondContact O-NE2 3.23Å
622	V	88.1	Confident	87.6	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-66.4	-43.6	177.2	-165.7	0	0	0	0	110.9	I616 P617 N618 E619 E620 Y625 Y626 L808 V817 C821	I616-V622 HydrophobicContact CG2-CB 4.23Å; I616-V622 HydrophobicContact CG2-CG1 4.4Å; I616-V622 HydrophobicContact CG2-CG2 3.76Å; P617-V622 WeakPolarHBondContact O-CG2 3.39Å; N618-V622 PolarHBondContact O-N 3.33Å; E619-V622 WeakPolarHBondContact O-CB 3.25Å; E619-V622 PolarHBondContact O-N 3.32Å; E619-V622 VanDerWaalsContact O-N 3.15Å; E620-V622 VanDerWaalsContact C-N 3.33Å; E620-V622 PolarHBondContact O-N 3.31Å; V622-Y625 PolarHBondContact O-N 3.2Å; V622-Y626 WeakPolarHBondContact O-CB 3.29Å; V622-Y626 PolarHBondContact O-N 2.91Å; V622-L808 HydrophobicContact CB-CD1 4.42Å; V622-L808 HydrophobicContact CG2-CD1 3.81Å; V622-V817 HydrophobicContact CB-CG1 4.21Å; V622-V817 HydrophobicContact CG1-CG1 3.68Å; V622-V817 HydrophobicContact CG2-CG1 3.41Å; V622-V817 VanDerWaalsContact CG2-CG1 3.41Å; V622-C821 HydrophobicContact CG1-CB 3.52Å
623	V	88.6	Confident	87.5	Confident	17 Å²	17	61.4 Å²	61.4	10%	0.103	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-39.2	177.5	169.1	0	0	0	0	111.1	F75 E619 E620 Y626 K627	F75-V623 HydrophobicContact CD1-CG2 3.67Å; F75-V623 HydrophobicContact CD2-CB 4.38Å; F75-V623 HydrophobicContact CD2-CG1 3.49Å; F75-V623 VanDerWaalsContact CD2-CG1 3.49Å; F75-V623 HydrophobicContact CD2-CG2 3.88Å; F75-V623 HydrophobicContact CE1-CG2 3.7Å; F75-V623 HydrophobicContact CE2-CB 4.44Å; F75-V623 HydrophobicContact CE2-CG1 3.75Å; F75-V623 HydrophobicContact CE2-CG2 3.88Å; F75-V623 HydrophobicContact CG-CG1 4.03Å; F75-V623 HydrophobicContact CG-CG2 3.77Å; F75-V623 HydrophobicContact CZ-CG1 4.48Å; F75-V623 HydrophobicContact CZ-CG2 3.79Å; E619-V623 HydrophobicContact CG-CG2 4.14Å; E619-V623 WeakPolarHBondContact O-CB 3.48Å; E619-V623 VanDerWaalsContact O-CG2 3.31Å; E619-V623 WeakPolarHBondContact O-CG2 3.43Å; E619-V623 PolarHBondContact O-N 3.35Å; E620-V623 PolarHBondContact O-N 2.82Å; V623-Y626 PolarHBondContact O-N 3.48Å; V623-K627 WeakPolarHBondContact O-CB 3.45Å; V623-K627 WeakPolarHBondContact O-CG 3.49Å; V623-K627 PolarHBondContact O-N 2.97Å
624	I	89.4	Confident	87.4	Confident	70 Å²	70	60.5 Å²	60.5	36%	0.359	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-48.7	173.3	-70.8	164	0	0	0	110.7	E620 N621 Y626 K627 I628	E620-I624 HydrophobicContact CG-CD1 4.24Å; E620-I624 WeakPolarHBondContact O-CD1 3.25Å; E620-I624 VanDerWaalsContact O-CG1 3.28Å; E620-I624 WeakPolarHBondContact O-CG1 3.32Å; E620-I624 PolarHBondContact O-N 2.92Å; N621-I624 PolarHBondContact O-N 3.12Å; I624-Y626 PolarHBondContact O-N 3.3Å; I624-K627 PolarHBondContact O-N 3.34Å; I624-I628 HydrophobicContact CG2-CD1 4.03Å; I624-I628 WeakPolarHBondContact O-CG1 3.47Å; I624-I628 PolarHBondContact O-N 2.86Å
625	Y	89.6	Confident	87.5	Confident	3 Å²	3	59.1 Å²	59.1	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-42.3	178.4	-170.6	-103	0	0	0	112.9	N621 V622 I628 R629 M803 H806 L808 H809 L814 Y818	N621-Y625 WeakPolarHBondContact O-CB 3.27Å; N621-Y625 PolarHBondContact O-N 2.79Å; V622-Y625 PolarHBondContact O-N 3.2Å; Y625-I628 PolarHBondContact O-N 3.23Å; Y625-R629 VanDerWaalsContact CE1-CD 3.48Å; Y625-R629 HydrophobicContact CE1-CG 4.17Å; Y625-R629 PolarHBondContact O-N 2.92Å; Y625-M803 HydrophobicContact CD2-CG 4.49Å; Y625-M803 HydrophobicContact CE2-CG 3.54Å; Y625-H806 HydrophobicContact CD2-CB 3.82Å; Y625-H806 AromaticContact CD2-CG 3.73Å; Y625-H806 AromaticContact CD2-ND1 3.41Å; Y625-H806 WeakPolarHBondContact CD2-ND1 3.31Å; Y625-H806 HydrophobicContact CE2-CB 4.25Å; Y625-H806 AromaticContact CG-ND1 3.85Å; Y625-L808 HydrophobicContact CD1-CD2 4.48Å; Y625-H809 HydrophobicContact CE2-CB 3.96Å; Y625-H809 AromaticContact CZ-ND1 3.87Å; Y625-H809 PolarHBondContact OH-ND1 3.37Å; Y625-L814 HydrophobicContact CD1-CD1 3.96Å; Y625-L814 HydrophobicContact CE1-CD1 3.4Å; Y625-L814 VanDerWaalsContact CE1-CD1 3.4Å; Y625-Y818 HydrophobicContact CD1-CD2 4.1Å; Y625-Y818 HydrophobicContact CD1-CE2 4.43Å; Y625-Y818 HydrophobicContact CE1-CD2 4.3Å
626	Y	89.5	Confident	87.6	Confident	16 Å²	16	54.9 Å²	54.9	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-59.4	-46.2	174.1	175.6	-96.2	0	0	0	111.9	P73 V622 V623 I624 I628 R629 Q630 Y818 E822 A825	P73-Y626 HydrophobicContact CG-CE1 4.37Å; V622-Y626 WeakPolarHBondContact O-CB 3.29Å; V622-Y626 PolarHBondContact O-N 2.91Å; V623-Y626 PolarHBondContact O-N 3.48Å; I624-Y626 PolarHBondContact O-N 3.3Å; Y626-I628 VanDerWaalsContact C-N 3.33Å; Y626-I628 PolarHBondContact O-N 2.96Å; Y626-R629 PolarHBondContact O-N 2.94Å; Y626-Q630 HydrophobicContact CD1-CG 4.31Å; Y626-Q630 HydrophobicContact CE1-CG 3.88Å; Y626-Q630 HydrophobicContact CE2-CG 4.16Å; Y626-Q630 WeakPolarHBondContact O-CG 3.35Å; Y626-Q630 PolarHBondContact O-N 3.31Å; Y626-Q630 PolarHBondContact OH-NE2 2.99Å; Y626-Y818 AromaticContact CD2-CE2 3.78Å; Y626-Y818 HydrophobicContact CD2-CE2 3.78Å; Y626-Y818 AromaticContact CD2-CZ 3.81Å; Y626-E822 HydrophobicContact CE2-CB 4.22Å; Y626-E822 HydrophobicContact CE2-CG 4.44Å; Y626-A825 HydrophobicContact CE1-CB 4.02Å
627	K	89.9	Confident	87.7	Confident	74 Å²	74	60.9 Å²	60.9	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-36.8	175.4	-74.7	-167.5	177.6	-146.8	0	112.7	E72 V623 I624 Q630 Q631	E72-K627 IonicContact OE2-NZ 2.73Å; E72-K627 PolarHBondContact OE2-NZ 3.41Å; V623-K627 WeakPolarHBondContact O-CB 3.45Å; V623-K627 WeakPolarHBondContact O-CG 3.49Å; V623-K627 PolarHBondContact O-N 2.97Å; I624-K627 PolarHBondContact O-N 3.34Å; K627-Q630 PolarHBondContact O-N 2.86Å; K627-Q631 WeakPolarHBondContact O-CB 3.21Å; K627-Q631 VanDerWaalsContact O-CG 3.29Å; K627-Q631 WeakPolarHBondContact O-CG 3.3Å; K627-Q631 PolarHBondContact O-N 2.85Å
628	I	91.6	Very high	88.2	Confident	8 Å²	8	59.2 Å²	59.2	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-49.9	174.3	-69.7	165.2	0	0	0	110.8	I624 Y625 Y626 Q630 Q631 L632 F799 R802 M803	I624-I628 HydrophobicContact CG2-CD1 4.03Å; I624-I628 WeakPolarHBondContact O-CG1 3.47Å; I624-I628 PolarHBondContact O-N 2.86Å; Y625-I628 PolarHBondContact O-N 3.23Å; Y626-I628 VanDerWaalsContact C-N 3.33Å; Y626-I628 PolarHBondContact O-N 2.96Å; I628-Q630 VanDerWaalsContact C-N 3.35Å; I628-Q630 PolarHBondContact O-N 3.25Å; I628-Q631 PolarHBondContact O-N 3.23Å; I628-L632 HydrophobicContact CG2-CD1 4.15Å; I628-L632 WeakPolarHBondContact O-CG 3.22Å; I628-L632 PolarHBondContact O-N 3.44Å; I628-F799 HydrophobicContact CG1-CD1 4.26Å; I628-F799 HydrophobicContact CG2-CD1 4.22Å; I628-F799 WeakPolarHBondContact CG2-O 3.09Å; I628-R802 HydrophobicContact CD1-CB 4.34Å; I628-M803 HydrophobicContact CG2-CB 3.8Å; I628-M803 HydrophobicContact CG2-CG 4.36Å
629	R	89.9	Confident	88.6	Confident	85 Å²	85	54.5 Å²	54.5	32%	0.321	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-38.4	178	-72	-175.1	74.5	-174.4	11.1	112.6	Y625 Y626 L632 A633 M803 Y818	Y625-R629 VanDerWaalsContact CE1-CD 3.48Å; Y625-R629 HydrophobicContact CE1-CG 4.17Å; Y625-R629 PolarHBondContact O-N 2.92Å; Y626-R629 PolarHBondContact O-N 2.94Å; R629-L632 PolarHBondContact O-N 2.97Å; R629-A633 WeakPolarHBondContact O-CB 3.34Å; R629-A633 PolarHBondContact O-N 3.27Å; R629-M803 HydrophobicContact CG-SD 3.89Å; R629-Y818 HydrophobicContact CB-CE2 4.41Å
630	Q	89.3	Confident	88.9	Confident	83 Å²	83	55.8 Å²	55.8	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-68.3	-37.8	176.5	-71.2	-70.8	23.1	0	0	113	Y626 K627 I628 A633 K634	Y626-Q630 HydrophobicContact CD1-CG 4.31Å; Y626-Q630 HydrophobicContact CE1-CG 3.88Å; Y626-Q630 HydrophobicContact CE2-CG 4.16Å; Y626-Q630 WeakPolarHBondContact O-CG 3.35Å; Y626-Q630 PolarHBondContact O-N 3.31Å; Y626-Q630 PolarHBondContact OH-NE2 2.99Å; K627-Q630 PolarHBondContact O-N 2.86Å; I628-Q630 VanDerWaalsContact C-N 3.35Å; I628-Q630 PolarHBondContact O-N 3.25Å; Q630-A633 PolarHBondContact O-N 2.82Å; Q630-K634 PolarHBondContact O-N 2.79Å
631	Q	91.1	Very high	89	Confident	63 Å²	63	53.7 Å²	53.7	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-69.1	-36.9	174.5	-68.2	-67.4	-20	0	0	111.7	E72 K627 I628 K634 L635 F799	E72-Q631 PolarHBondContact OE1-NE2 2.9Å; K627-Q631 WeakPolarHBondContact O-CB 3.21Å; K627-Q631 VanDerWaalsContact O-CG 3.29Å; K627-Q631 WeakPolarHBondContact O-CG 3.3Å; K627-Q631 PolarHBondContact O-N 2.85Å; I628-Q631 PolarHBondContact O-N 3.23Å; Q631-K634 PolarHBondContact O-N 2.69Å; Q631-L635 WeakPolarHBondContact O-CB 3.44Å; Q631-L635 VanDerWaalsContact O-CG 3.27Å; Q631-L635 WeakPolarHBondContact O-CG 3.21Å; Q631-L635 PolarHBondContact O-N 2.71Å; Q631-F799 HydrophobicContact CB-CE1 4.26Å; Q631-F799 HydrophobicContact CB-CE2 4.33Å; Q631-F799 HydrophobicContact CB-CZ 4.13Å; Q631-F799 HydrophobicContact CG-CZ 4.39Å
632	L	90.3	Very high	89.2	Confident	24 Å²	24	52.1 Å²	52.1	13%	0.126	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-46.5	170.4	-74.9	169.5	0	0	0	111.9	I628 R629 K634 L635 G636 V796 F799 E800 M803	I628-L632 HydrophobicContact CG2-CD1 4.15Å; I628-L632 WeakPolarHBondContact O-CG 3.22Å; I628-L632 PolarHBondContact O-N 3.44Å; R629-L632 PolarHBondContact O-N 2.97Å; L632-K634 VanDerWaalsContact C-N 3.26Å; L632-K634 PolarHBondContact O-N 3.01Å; L632-L635 PolarHBondContact O-N 3.31Å; L632-G636 PolarHBondContact O-N 3.07Å; L632-V796 HydrophobicContact CD2-CB 4.46Å; L632-V796 HydrophobicContact CD2-CG1 4.03Å; L632-F799 HydrophobicContact CD1-CB 4.44Å; L632-F799 HydrophobicContact CD2-CB 3.54Å; L632-F799 HydrophobicContact CG-CB 3.83Å; L632-E800 HydrophobicContact CD1-CG 4.17Å; L632-E800 HydrophobicContact CD2-CG 3.79Å; L632-M803 HydrophobicContact CD1-CB 4.38Å; L632-M803 HydrophobicContact CD1-CE 4.21Å; L632-M803 HydrophobicContact CD1-SD 3.84Å
633	A	87.6	Confident	89.2	Confident	55 Å²	55	53.1 Å²	53.1	46%	0.455	26%	0.259	S	S	.	.	H	α-helix	trans	-61.9	-31.8	176.8	0	0	0	0	0	113.1	R629 Q630	R629-A633 WeakPolarHBondContact O-CB 3.34Å; R629-A633 PolarHBondContact O-N 3.27Å; Q630-A633 PolarHBondContact O-N 2.82Å
634	K	89.2	Confident	89.1	Confident	119 Å²	119	54 Å²	54	52%	0.517	26%	0.262	S	S	.	.	H	α-helix	trans	-71.5	-50.4	172	-173.3	-175	175.6	-168	0	112	Q630 Q631 L632 G636 K637 E638	Q630-K634 PolarHBondContact O-N 2.79Å; Q631-K634 PolarHBondContact O-N 2.69Å; L632-K634 VanDerWaalsContact C-N 3.26Å; L632-K634 PolarHBondContact O-N 3.01Å; K634-G636 PolarHBondContact O-N 2.64Å; K634-K637 WeakPolarHBondContact O-CB 3.26Å; K634-K637 PolarHBondContact O-N 3.27Å; K634-K637 VanDerWaalsContact O-N 3.07Å; K634-E638 WeakPolarHBondContact CE-OE1 3.42Å; K634-E638 IonicContact NZ-OE1 2.75Å; K634-E638 PolarHBondContact O-N 2.88Å; K634-E638 VanDerWaalsContact O-N 3.08Å
635	L	91.7	Very high	89	Confident	6 Å²	6	54.3 Å²	54.3	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-32.1	-179.7	-68	164.8	0	0	0	112	Q631 L632 E638 I639 V792 K795 V796 F799	Q631-L635 WeakPolarHBondContact O-CB 3.44Å; Q631-L635 VanDerWaalsContact O-CG 3.27Å; Q631-L635 WeakPolarHBondContact O-CG 3.21Å; Q631-L635 PolarHBondContact O-N 2.71Å; L632-L635 PolarHBondContact O-N 3.31Å; L635-E638 WeakPolarHBondContact O-CB 3.47Å; L635-E638 PolarHBondContact O-N 3.1Å; L635-I639 WeakPolarHBondContact O-CG1 3.43Å; L635-I639 PolarHBondContact O-N 3.36Å; L635-V792 HydrophobicContact CB-CG1 4.21Å; L635-V792 HydrophobicContact CD2-CG1 3.95Å; L635-K795 HydrophobicContact CD1-CB 3.79Å; L635-K795 HydrophobicContact CD2-CB 4.15Å; L635-K795 HydrophobicContact CD2-CD 3.77Å; L635-V796 HydrophobicContact CB-CG2 3.57Å; L635-V796 HydrophobicContact CD1-CG2 4.19Å; L635-V796 HydrophobicContact CG-CG2 4.46Å; L635-F799 HydrophobicContact CD1-CD2 3.66Å; L635-F799 HydrophobicContact CD1-CE2 4.1Å
636	G	88.3	Confident	88.9	Confident	29 Å²	29	56.3 Å²	56.3	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-58.4	-45.1	171.1	0	0	0	0	0	112.7	L632 K634 I639 E640	L632-G636 PolarHBondContact O-N 3.07Å; K634-G636 PolarHBondContact O-N 2.64Å; G636-I639 WeakPolarHBondContact O-CB 3.39Å; G636-I639 PolarHBondContact O-N 2.86Å; G636-I639 VanDerWaalsContact O-N 3.14Å; G636-E640 PolarHBondContact O-N 3.34Å
637	K	87.2	Confident	88.8	Confident	134 Å²	134	63.1 Å²	63.1	58%	0.583	30%	0.304	S	S	*	.	H	α-helix	trans	-64.1	-40	173	-67.2	-177.4	177.1	-175	0	112.5	K634 I639 E640 E641	K634-K637 WeakPolarHBondContact O-CB 3.26Å; K634-K637 PolarHBondContact O-N 3.27Å; K634-K637 VanDerWaalsContact O-N 3.07Å; K637-I639 PolarHBondContact O-N 2.98Å; K637-E640 PolarHBondContact O-N 3.16Å; K637-E640 VanDerWaalsContact O-N 3.14Å; K637-E641 PolarHBondContact O-N 2.88Å
638	E	89.4	Confident	88.8	Confident	50 Å²	50	61.4 Å²	61.4	23%	0.234	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-32.8	174	-67.3	178	-158.6	0	0	111.1	K634 L635 Y642 V792	K634-E638 WeakPolarHBondContact CE-OE1 3.42Å; K634-E638 IonicContact NZ-OE1 2.75Å; K634-E638 PolarHBondContact O-N 2.88Å; K634-E638 VanDerWaalsContact O-N 3.08Å; L635-E638 WeakPolarHBondContact O-CB 3.47Å; L635-E638 PolarHBondContact O-N 3.1Å; E638-Y642 WeakPolarHBondContact O-CD2 3.01Å; E638-V792 HydrophobicContact CB-CG1 4Å; E638-V792 HydrophobicContact CB-CG2 4.41Å
639	I	88.8	Confident	88.8	Confident	30 Å²	30	61 Å²	61	15%	0.154	29%	0.294	C	S	.	.	H	α-helix	trans	-72.8	-44.2	172.3	-65.9	173.4	0	0	0	112	L635 G636 K637 E641 Y642 I643 P778 L789 V792 I793 V796	L635-I639 WeakPolarHBondContact O-CG1 3.43Å; L635-I639 PolarHBondContact O-N 3.36Å; G636-I639 WeakPolarHBondContact O-CB 3.39Å; G636-I639 PolarHBondContact O-N 2.86Å; G636-I639 VanDerWaalsContact O-N 3.14Å; K637-I639 PolarHBondContact O-N 2.98Å; I639-E641 PolarHBondContact O-N 3.5Å; I639-Y642 PolarHBondContact O-N 2.67Å; I639-I643 HydrophobicContact CG2-CD1 3.83Å; I639-I643 HydrophobicContact CG2-CG1 4.3Å; I639-I643 PolarHBondContact O-N 3.01Å; I639-I643 VanDerWaalsContact O-N 3.08Å; I639-P778 HydrophobicContact CG2-CG 4.13Å; I639-L789 HydrophobicContact CB-CD1 4.44Å; I639-L789 HydrophobicContact CG1-CD1 4.01Å; I639-L789 HydrophobicContact CG2-CD1 4.27Å; I639-V792 HydrophobicContact CD1-CG1 4.18Å; I639-V792 HydrophobicContact CG1-CB 4.41Å; I639-V792 HydrophobicContact CG1-CG1 3.63Å; I639-I793 HydrophobicContact CD1-CG1 3.91Å; I639-I793 HydrophobicContact CG1-CG1 4.46Å; I639-V796 HydrophobicContact CD1-CG2 3.96Å
640	E	87.4	Confident	88.8	Confident	75 Å²	75	58.6 Å²	58.6	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-53.4	-41.9	174.9	-68.3	179.8	-166.1	0	0	111.1	G636 K637 Y642 I643 H644	G636-E640 PolarHBondContact O-N 3.34Å; K637-E640 PolarHBondContact O-N 3.16Å; K637-E640 VanDerWaalsContact O-N 3.14Å; E640-Y642 VanDerWaalsContact C-N 3.26Å; E640-Y642 PolarHBondContact O-N 3.18Å; E640-I643 PolarHBondContact O-N 3.13Å; E640-H644 PolarHBondContact O-N 3.36Å; E640-H644 PolarHBondContact O-ND1 3.13Å
641	E	87.4	Confident	89	Confident	110 Å²	110	58.3 Å²	58.3	51%	0.514	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-19.4	175.2	-74.4	179.9	-156.1	0	0	114.9	K637 I639 K645	K637-E641 PolarHBondContact O-N 2.88Å; I639-E641 PolarHBondContact O-N 3.5Å; E641-K645 WeakPolarHBondContact O-CD 3.38Å; E641-K645 WeakPolarHBondContact O-CE 3.49Å; E641-K645 WeakPolarHBondContact O-CG 3.18Å; E641-K645 PolarHBondContact O-NZ 3.02Å
642	Y	89.7	Confident	89.1	Confident	43 Å²	43	57 Å²	57	17%	0.169	29%	0.286	C	S	.	.	H	α-helix	trans	-86.7	-42.5	168.6	-78.1	-81.3	0	0	0	112	E638 I639 E640 H644 K645 D786 L789	E638-Y642 WeakPolarHBondContact O-CD2 3.01Å; I639-Y642 PolarHBondContact O-N 2.67Å; E640-Y642 VanDerWaalsContact C-N 3.26Å; E640-Y642 PolarHBondContact O-N 3.18Å; Y642-H644 PolarHBondContact O-N 3.07Å; Y642-K645 HydrophobicContact CD1-CD 4.42Å; Y642-K645 VanDerWaalsContact CD1-NZ 3.27Å; Y642-K645 PolarHBondContact O-N 3Å; Y642-D786 HydrophobicContact CD1-CB 4.42Å; Y642-D786 HydrophobicContact CE1-CB 4.16Å; Y642-D786 WeakPolarHBondContact CE1-OD2 3.32Å; Y642-L789 HydrophobicContact CD1-CB 4.07Å; Y642-L789 HydrophobicContact CD2-CB 3.98Å; Y642-L789 HydrophobicContact CD2-CD1 3.92Å; Y642-L789 HydrophobicContact CD2-CG 4.48Å; Y642-L789 HydrophobicContact CE1-CB 4.27Å; Y642-L789 HydrophobicContact CE2-CB 4.2Å; Y642-L789 HydrophobicContact CG-CB 3.92Å; Y642-L789 HydrophobicContact CG-CD1 4.11Å; Y642-L789 HydrophobicContact CG-CD2 4.45Å; Y642-L789 HydrophobicContact CG-CG 4.38Å
643	I	87.4	Confident	89.3	Confident	22 Å²	22	55.9 Å²	55.9	11%	0.113	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-48.4	-178.8	-67.6	170.5	0	0	0	111	I639 E640 K645 C649 I738 P778 M782	I639-I643 HydrophobicContact CG2-CD1 3.83Å; I639-I643 HydrophobicContact CG2-CG1 4.3Å; I639-I643 PolarHBondContact O-N 3.01Å; I639-I643 VanDerWaalsContact O-N 3.08Å; E640-I643 PolarHBondContact O-N 3.13Å; I643-K645 VanDerWaalsContact C-N 3.28Å; I643-K645 PolarHBondContact O-N 3.29Å; I643-C649 WeakPolarHBondContact O-CB 3.17Å; I643-I738 HydrophobicContact CG2-CD1 4.07Å; I643-I738 HydrophobicContact CG2-CG1 4.26Å; I643-P778 HydrophobicContact CD1-CG 3.98Å; I643-P778 HydrophobicContact CG1-CB 4.42Å; I643-P778 HydrophobicContact CG1-CG 4.01Å; I643-M782 HydrophobicContact CG2-CE 4.14Å; I643-M782 HydrophobicContact CG2-SD 4.03Å
644	H	85.8	Confident	89.6	Confident	36 Å²	36	56.3 Å²	56.3	17%	0.167	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	1.4	-171.5	69.4	-154.1	0	0	0	115.3	E640 Y642 C649 H733	E640-H644 PolarHBondContact O-N 3.36Å; E640-H644 PolarHBondContact O-ND1 3.13Å; Y642-H644 PolarHBondContact O-N 3.07Å; H644-C649 PolarHBondContact O-SG 2.99Å; H644-H733 PolarHBondContact ND1-O 2.72Å; H644-H733 VanDerWaalsContact ND1-O 3.15Å
645	K	87.8	Confident	89.8	Confident	76 Å²	76	53.6 Å²	53.6	33%	0.33	27%	0.267	S	S	.	.	S	Bend	trans	-63.6	131.6	175.8	-78.6	164.5	-179	133.4	0	109.5	E641 Y642 I643 K647 Y648 C649	E641-K645 WeakPolarHBondContact O-CD 3.38Å; E641-K645 WeakPolarHBondContact O-CE 3.49Å; E641-K645 WeakPolarHBondContact O-CG 3.18Å; E641-K645 PolarHBondContact O-NZ 3.02Å; Y642-K645 HydrophobicContact CD1-CD 4.42Å; Y642-K645 VanDerWaalsContact CD1-NZ 3.27Å; Y642-K645 PolarHBondContact O-N 3Å; I643-K645 VanDerWaalsContact C-N 3.28Å; I643-K645 PolarHBondContact O-N 3.29Å; K645-K647 PolarHBondContact O-N 3.03Å; K645-Y648 HydrophobicContact CB-CD2 3.95Å; K645-Y648 PolarHBondContact O-N 3.4Å; K645-C649 PolarHBondContact O-N 3.25Å; K645-C649 VanDerWaalsContact O-N 3.12Å; K645-C649 PolarHBondContact O-SG 2.89Å
646	P	87.6	Confident	89.9	Confident	45 Å²	45	53.3 Å²	53.3	29%	0.292	27%	0.266	S	S	.	.	H	α-helix	trans	-48.4	-42.8	-174.3	-31.8	34.2	0	0	0	114.5	Y648 L650 Y693 V732	P646-Y648 PolarHBondContact O-N 3.22Å; P646-Y648 VanDerWaalsContact O-N 3.13Å; P646-L650 HydrophobicContact CB-CD1 3.88Å; P646-L650 HydrophobicContact CB-CG 4.41Å; P646-L650 VanDerWaalsContact O-CB 3.24Å; P646-L650 WeakPolarHBondContact O-CB 3.34Å; P646-L650 VanDerWaalsContact O-CD1 3.26Å; P646-L650 WeakPolarHBondContact O-CD1 3.43Å; P646-L650 WeakPolarHBondContact O-CG 3.31Å; P646-L650 PolarHBondContact O-N 2.94Å; P646-L650 VanDerWaalsContact O-N 3.15Å; P646-Y693 HydrophobicContact CB-CD2 3.8Å; P646-Y693 HydrophobicContact CB-CE2 3.89Å; P646-Y693 HydrophobicContact CB-CG 4.34Å; P646-Y693 HydrophobicContact CG-CD2 3.73Å; P646-Y693 HydrophobicContact CG-CE2 4.16Å; P646-Y693 HydrophobicContact CG-CG 4.42Å; P646-V732 HydrophobicContact CG-CG1 4.24Å
647	K	88.1	Confident	90.3	Very high	159 Å²	159	52.8 Å²	52.8	69%	0.691	26%	0.255	S	S	*	.	H	α-helix	trans	-51.9	-34.1	177.7	-178.2	179.4	175	-174.7	0	113.9	K645	K645-K647 PolarHBondContact O-N 3.03Å
648	Y	90	Very high	90.7	Very high	38 Å²	38	46.4 Å²	46.4	15%	0.149	23%	0.227	C	C	.	.	H	α-helix	trans	-105.6	-37.2	-172.3	-55.4	-58	0	0	0	113	K645 P646 F652 M782 I784	K645-Y648 HydrophobicContact CB-CD2 3.95Å; K645-Y648 PolarHBondContact O-N 3.4Å; P646-Y648 PolarHBondContact O-N 3.22Å; P646-Y648 VanDerWaalsContact O-N 3.13Å; Y648-F652 VanDerWaalsContact O-CD2 3.27Å; Y648-F652 WeakPolarHBondContact O-CD2 3.41Å; Y648-F652 WeakPolarHBondContact O-CE2 3.37Å; Y648-M782 VanDerWaalsContact O-CE 3.27Å; Y648-M782 WeakPolarHBondContact O-CE 3.38Å; Y648-I784 HydrophobicContact CD1-CB 4.45Å; Y648-I784 HydrophobicContact CD1-CD1 4.43Å; Y648-I784 HydrophobicContact CD1-CG1 3.7Å; Y648-I784 HydrophobicContact CD1-CG2 4.46Å; Y648-I784 HydrophobicContact CD2-CD1 4.01Å; Y648-I784 HydrophobicContact CD2-CG1 4.07Å; Y648-I784 HydrophobicContact CD2-CG2 4.23Å; Y648-I784 HydrophobicContact CE1-CB 4.46Å; Y648-I784 HydrophobicContact CE1-CG1 4.18Å; Y648-I784 HydrophobicContact CE1-CG2 4.15Å; Y648-I784 HydrophobicContact CE2-CG2 3.96Å; Y648-I784 HydrophobicContact CG-CD1 3.85Å; Y648-I784 HydrophobicContact CG-CG1 3.63Å
649	C	90.9	Very high	91	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-79.2	-37.1	179.3	59.4	0	0	0	0	114.2	I643 H644 K645 P651 F652 L653 V732 I738	I643-C649 WeakPolarHBondContact O-CB 3.17Å; H644-C649 PolarHBondContact O-SG 2.99Å; K645-C649 PolarHBondContact O-N 3.25Å; K645-C649 VanDerWaalsContact O-N 3.12Å; K645-C649 PolarHBondContact O-SG 2.89Å; C649-P651 VanDerWaalsContact C-CD 3.44Å; C649-P651 VanDerWaalsContact C-N 3.35Å; C649-F652 PolarHBondContact O-N 3.49Å; C649-L653 PolarHBondContact O-N 2.69Å; C649-V732 WeakPolarHBondContact SG-CG2 3.22Å; C649-I738 HydrophobicContact CB-CD1 3.67Å
650	L	90.4	Very high	91.2	Very high	33 Å²	33	45.3 Å²	45.3	17%	0.173	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-52.4	-41.4	-173.6	-74.8	167.6	0	0	0	114.2	P646 F652 L653 F676 Y693	P646-L650 HydrophobicContact CB-CD1 3.88Å; P646-L650 HydrophobicContact CB-CG 4.41Å; P646-L650 VanDerWaalsContact O-CB 3.24Å; P646-L650 WeakPolarHBondContact O-CB 3.34Å; P646-L650 VanDerWaalsContact O-CD1 3.26Å; P646-L650 WeakPolarHBondContact O-CD1 3.43Å; P646-L650 WeakPolarHBondContact O-CG 3.31Å; P646-L650 PolarHBondContact O-N 2.94Å; P646-L650 VanDerWaalsContact O-N 3.15Å; L650-F652 PolarHBondContact O-N 3.31Å; L650-F652 VanDerWaalsContact O-N 3.11Å; L650-L653 HydrophobicContact CD2-CD1 4.29Å; L650-L653 PolarHBondContact O-N 3.15Å; L650-F676 HydrophobicContact CD2-CD2 3.66Å; L650-F676 HydrophobicContact CD2-CE2 3.64Å; L650-F676 HydrophobicContact CD2-CG 4.31Å; L650-F676 HydrophobicContact CD2-CZ 4.26Å; L650-Y693 HydrophobicContact CD1-CD1 3.78Å; L650-Y693 HydrophobicContact CD1-CE1 3.46Å; L650-Y693 VanDerWaalsContact CD1-CE1 3.46Å; L650-Y693 HydrophobicContact CD1-CG 4.42Å; L650-Y693 HydrophobicContact CD2-CD1 3.69Å; L650-Y693 HydrophobicContact CD2-CE1 4.09Å; L650-Y693 HydrophobicContact CD2-CG 4.45Å; L650-Y693 HydrophobicContact CG-CD1 4.31Å; L650-Y693 HydrophobicContact CG-CE1 4.43Å
651	P	93.3	Very high	91.4	Very high	77 Å²	77	41.8 Å²	41.8	50%	0.5	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-58.9	-20.7	175.6	-25.8	36	0	0	0	114.9	C649 Q654	C649-P651 VanDerWaalsContact C-CD 3.44Å; C649-P651 VanDerWaalsContact C-N 3.35Å; P651-Q654 PolarHBondContact O-NE2 3.27Å
652	F	93.9	Very high	91.5	Very high	37 Å²	37	41.1 Å²	41.1	16%	0.162	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-104.8	-8.8	-176.3	-58.1	-85.3	0	0	0	113.8	Y648 C649 L650 Q654 R657 I738 L776 D781 M782	Y648-F652 VanDerWaalsContact O-CD2 3.27Å; Y648-F652 WeakPolarHBondContact O-CD2 3.41Å; Y648-F652 WeakPolarHBondContact O-CE2 3.37Å; C649-F652 PolarHBondContact O-N 3.49Å; L650-F652 PolarHBondContact O-N 3.31Å; L650-F652 VanDerWaalsContact O-N 3.11Å; F652-Q654 PolarHBondContact O-N 2.63Å; F652-Q654 PolarHBondContact O-OE1 2.92Å; F652-R657 VanDerWaalsContact O-CG 3.29Å; F652-R657 WeakPolarHBondContact O-CG 3.48Å; F652-R657 PolarHBondContact O-NE 3.21Å; F652-I738 HydrophobicContact CB-CG2 4.33Å; F652-L776 HydrophobicContact CB-CD1 3.78Å; F652-L776 HydrophobicContact CD1-CD1 3.56Å; F652-L776 HydrophobicContact CD1-CD2 4.31Å; F652-L776 HydrophobicContact CE1-CD1 4.34Å; F652-L776 HydrophobicContact CG-CD1 3.69Å; F652-D781 VanDerWaalsContact CZ-O 3.26Å; F652-D781 WeakPolarHBondContact CZ-O 3.25Å; F652-M782 HydrophobicContact CD2-CE 4.11Å; F652-M782 HydrophobicContact CD2-CG 4.2Å; F652-M782 HydrophobicContact CE2-CB 4.09Å; F652-M782 HydrophobicContact CE2-CE 4.42Å; F652-M782 HydrophobicContact CE2-CG 3.93Å; F652-M782 HydrophobicContact CZ-CB 4.39Å; F652-M782 HydrophobicContact CZ-CG 4.21Å
653	L	93.5	Very high	91.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.			trans	-77.6	42.1	177.1	-61.3	-179.6	0	0	0	112.9	C649 L650 V659 V673 F676 V695 L735	C649-L653 PolarHBondContact O-N 2.69Å; L650-L653 HydrophobicContact CD2-CD1 4.29Å; L650-L653 PolarHBondContact O-N 3.15Å; L653-V659 HydrophobicContact CD2-CG1 4.32Å; L653-V673 HydrophobicContact CB-CG1 4.46Å; L653-V673 HydrophobicContact CD2-CG2 4.04Å; L653-F676 HydrophobicContact CB-CD1 3.82Å; L653-F676 HydrophobicContact CB-CE1 4.24Å; L653-F676 WeakPolarHBondContact O-CD1 3.32Å; L653-V695 HydrophobicContact CD1-CG1 4.26Å; L653-V695 HydrophobicContact CD1-CG2 3.66Å; L653-V695 HydrophobicContact CD2-CG1 4.46Å; L653-L735 HydrophobicContact CD1-CD1 4.38Å; L653-L735 HydrophobicContact CD2-CD1 3.7Å
654	Q	93.8	Very high	90.3	Very high	63 Å²	63	48.4 Å²	48.4	29%	0.294	24%	0.236	S	C	.	.			trans	-70.1	147.5	173.6	-55.7	101.2	-5.9	0	0	111.2	P651 F652 G656 R657	P651-Q654 PolarHBondContact O-NE2 3.27Å; F652-Q654 PolarHBondContact O-N 2.63Å; F652-Q654 PolarHBondContact O-OE1 2.92Å; Q654-G656 PolarHBondContact O-N 2.65Å; Q654-R657 WeakPolarHBondContact O-CB 3.36Å; Q654-R657 PolarHBondContact O-N 2.97Å
655	P	94.4	Very high	89.7	Confident	62 Å²	62	49.4 Å²	49.4	40%	0.403	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	135.1	171.9	-28.9	36.3	0	0	0	112.2	V673 V674 R742	P655-V673 WeakPolarHBondContact CA-O 3.38Å; P655-V674 WeakPolarHBondContact CB-O 3.38Å; P655-V674 WeakPolarHBondContact CG-O 3.48Å; P655-R742 PolarHBondContact O-NH2 3.16Å
656	G	93.3	Very high	89.3	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-10.1	-172.8	0	0	0	0	0	115.2	Q654 L658 V672 V673 R742 L743	Q654-G656 PolarHBondContact O-N 2.65Å; G656-L658 PolarHBondContact O-N 3.28Å; G656-V672 VanDerWaalsContact CA-CG2 3.45Å; G656-V672 VanDerWaalsContact O-CG2 3.24Å; G656-V672 WeakPolarHBondContact O-CG2 3.46Å; G656-V673 PolarHBondContact N-O 3.15Å; G656-R742 CarbonylContact O-C 3.14Å; G656-R742 VanDerWaalsContact O-CA 3.27Å; G656-R742 WeakPolarHBondContact O-CA 3.32Å; G656-L743 WeakPolarHBondContact CA-O 3.14Å; G656-L743 PolarHBondContact O-N 3.11Å
657	R	96.3	Very high	89.3	Confident	18 Å²	18	48.8 Å²	48.8	7%	0.068	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	128.5	176.3	179.3	69	61.7	-170.1	-0.4	111.1	F652 Q654 V659 V672 V673 I738 S739 T740	F652-R657 VanDerWaalsContact O-CG 3.29Å; F652-R657 WeakPolarHBondContact O-CG 3.48Å; F652-R657 PolarHBondContact O-NE 3.21Å; Q654-R657 WeakPolarHBondContact O-CB 3.36Å; Q654-R657 PolarHBondContact O-N 2.97Å; R657-V659 HydrophobicContact CG-CG1 4.02Å; R657-V672 WeakPolarHBondContact O-CA 3.5Å; R657-V672 WeakPolarHBondContact O-CG2 3.45Å; R657-V673 HydrophobicContact CB-CB 4.2Å; R657-V673 HydrophobicContact CB-CG2 4.03Å; R657-V673 HydrophobicContact CG-CG2 4.43Å; R657-V673 PolarHBondContact O-N 3.39Å; R657-I738 HydrophobicContact CG-CG2 3.94Å; R657-S739 WeakPolarHBondContact CD-O 3.37Å; R657-S739 PolarHBondContact NH1-O 3.44Å; R657-T740 VanDerWaalsContact NH1-C 3.3Å; R657-T740 PolarHBondContact NH1-O 3.14Å
658	L	96.1	Very high	89.3	Confident	1 Å²	1	42 Å²	42	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.6	170.3	-97.4	179.1	0	0	0	110.3	G656 W670 G671 S739 V741 L743 I762 V765 V773	G656-L658 PolarHBondContact O-N 3.28Å; L658-W670 HydrophobicContact CB-CE3 4.27Å; L658-W670 HydrophobicContact CD2-CB 4.17Å; L658-W670 HydrophobicContact CD2-CE3 4.42Å; L658-G671 WeakPolarHBondContact CD2-O 3.39Å; L658-S739 WeakPolarHBondContact CB-OG 3.38Å; L658-S739 PolarHBondContact O-N 3.09Å; L658-S739 PolarHBondContact O-OG 3.35Å; L658-V741 HydrophobicContact CB-CB 4.48Å; L658-V741 HydrophobicContact CD1-CB 4.17Å; L658-V741 HydrophobicContact CD1-CG1 3.97Å; L658-V741 PolarHBondContact N-O 3.16Å; L658-V741 VanDerWaalsContact N-O 3.12Å; L658-L743 HydrophobicContact CD1-CD1 4.11Å; L658-L743 HydrophobicContact CD1-CG 4.29Å; L658-L743 HydrophobicContact CD2-CD1 4.15Å; L658-L743 HydrophobicContact CG-CD1 3.94Å; L658-L743 HydrophobicContact CG-CG 4.22Å; L658-I762 HydrophobicContact CD2-CD1 4.17Å; L658-I762 HydrophobicContact CD2-CG1 3.94Å; L658-I762 HydrophobicContact CD2-CG2 4.31Å; L658-V765 HydrophobicContact CD1-CB 4.27Å; L658-V765 HydrophobicContact CD1-CG1 3.89Å; L658-V765 HydrophobicContact CD1-CG2 4.35Å; L658-V773 HydrophobicContact CD1-CG1 4.4Å
659	V	95.1	Very high	89.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.4	-179.6	-68.2	0	0	0	0	110.6	L653 R657 V661 W670 G671 V673 V697 L735 A737 I738	L653-V659 HydrophobicContact CD2-CG1 4.32Å; R657-V659 HydrophobicContact CG-CG1 4.02Å; V659-V661 HydrophobicContact CG2-CG2 4.44Å; V659-W670 VanDerWaalsContact C-CE3 3.43Å; V659-G671 PolarHBondContact N-O 3.33Å; V659-G671 PolarHBondContact O-N 3.11Å; V659-G671 VanDerWaalsContact O-O 3.06Å; V659-V673 HydrophobicContact CB-CG2 4.45Å; V659-V673 HydrophobicContact CG1-CG2 3.7Å; V659-V673 HydrophobicContact CG2-CG2 3.83Å; V659-V697 HydrophobicContact CG2-CG1 3.71Å; V659-V697 HydrophobicContact CG2-CG2 4.11Å; V659-L735 HydrophobicContact CB-CD2 4.38Å; V659-L735 HydrophobicContact CG2-CD2 4.31Å; V659-A737 CarbonylContact C-O 3.56Å; V659-A737 WeakPolarHBondContact CA-O 3.31Å; V659-I738 HydrophobicContact CG1-CG1 4.33Å; V659-I738 HydrophobicContact CG1-CG2 4.15Å
660	K	93.6	Very high	89.5	Confident	56 Å²	56	43.2 Å²	43.2	24%	0.243	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.9	175.9	-160.1	-168.4	175.2	-159.9	0	110.6	D667 G669 W670 S736 A737	K660-D667 WeakPolarHBondContact CE-OD1 3.43Å; K660-D667 WeakPolarHBondContact CE-OD2 3.48Å; K660-D667 IonicContact NZ-OD1 3.5Å; K660-D667 IonicContact NZ-OD2 2.72Å; K660-D667 PolarHBondContact NZ-OD2 2.9Å; K660-G669 WeakPolarHBondContact CA-O 3.4Å; K660-G669 WeakPolarHBondContact CG-O 3.36Å; K660-W670 HydrophobicContact CB-CD2 4.32Å; K660-W670 HydrophobicContact CB-CE3 4.11Å; K660-W670 HydrophobicContact CB-CH2 4.24Å; K660-W670 HydrophobicContact CB-CZ2 4.45Å; K660-W670 HydrophobicContact CB-CZ3 4.07Å; K660-S736 PolarHBondContact O-N 3.2Å; K660-S736 PolarHBondContact O-OG 2.71Å; K660-S736 VanDerWaalsContact O-OG 3.09Å; K660-A737 HydrophobicContact CB-CB 3.83Å; K660-A737 PolarHBondContact N-O 3.41Å; K660-A737 PolarHBondContact O-N 2.96Å
661	V	91.3	Very high	89.6	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.8	-174.5	-178.3	0	0	0	0	111.3	V659 F668 G669 V697 L699 V730 L734 L735	V659-V661 HydrophobicContact CG2-CG2 4.44Å; V661-F668 HydrophobicContact CB-CB 4.32Å; V661-F668 HydrophobicContact CG1-CD2 4.29Å; V661-F668 PolarHBondContact O-N 3.27Å; V661-G669 PolarHBondContact N-O 3.44Å; V661-V697 HydrophobicContact CG2-CG1 4.13Å; V661-V697 HydrophobicContact CG2-CG2 4.44Å; V661-L699 HydrophobicContact CB-CD1 4.1Å; V661-L699 HydrophobicContact CB-CD2 3.8Å; V661-L699 HydrophobicContact CG1-CD1 4Å; V661-L699 HydrophobicContact CG2-CD1 4.18Å; V661-L699 HydrophobicContact CG2-CD2 3.67Å; V661-L699 HydrophobicContact CG2-CG 4.47Å; V661-V730 HydrophobicContact CG1-CG1 4.25Å; V661-L734 WeakPolarHBondContact CA-O 3.43Å; V661-L734 HydrophobicContact CG1-CB 4.34Å; V661-L735 HydrophobicContact CG2-CD2 3.85Å
662	K	88.7	Confident	89.8	Confident	96 Å²	96	38 Å²	38	42%	0.417	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	133.2	-178.8	-172.8	173.3	-179.7	174.9	0	110.8	D666 D667 L734	K662-D666 CarbonylContact C-O 3.6Å; K662-D666 VanDerWaalsContact CA-O 3.3Å; K662-D666 WeakPolarHBondContact CA-O 3.36Å; K662-D667 HydrophobicContact CG-CB 4.43Å; K662-L734 PolarHBondContact N-O 3.09Å
663	N	82.4	Confident	89.8	Confident	55 Å²	55	36.2 Å²	36.2	29%	0.294	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	114.7	-176.6	-175.3	32.4	0	0	0	111.1	G665 D666 F668 L734	N663-G665 PolarHBondContact O-N 3.01Å; N663-D666 PolarHBondContact N-O 3.39Å; N663-D666 WeakPolarHBondContact O-CB 3.26Å; N663-D666 PolarHBondContact O-N 2.96Å; N663-F668 HydrophobicContact CB-CE2 4.23Å; N663-L734 HydrophobicContact CB-CD2 4.1Å; N663-L734 WeakPolarHBondContact OD1-CD2 3.06Å
664	E	70.1	Confident	89.8	Confident	163 Å²	163	37.6 Å²	37.6	76%	0.762	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.3	9.9	175.9	-63.2	-166	159.1	0	0	118.4	K506	K506-E664 WeakPolarHBondContact CE-OE2 3.34Å; K506-E664 IonicContact NZ-OE2 3.15Å; K506-E664 PolarHBondContact NZ-OE2 3.44Å
665	G	72.3	Confident	89.8	Confident	58 Å²	58	38.2 Å²	38.2	60%	0.598	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	139.1	-34.5	-176.3	0	0	0	0	0	112.2	N663 D667	N663-G665 PolarHBondContact O-N 3.01Å; G665-D667 PolarHBondContact O-N 3.1Å
666	D	80.6	Confident	89.7	Confident	46 Å²	46	39 Å²	39	25%	0.246	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	111.5	175	-77.7	-52.4	0	0	0	111.1	K662 N663 F668 K715 P716	K662-D666 CarbonylContact C-O 3.6Å; K662-D666 VanDerWaalsContact CA-O 3.3Å; K662-D666 WeakPolarHBondContact CA-O 3.36Å; N663-D666 PolarHBondContact N-O 3.39Å; N663-D666 WeakPolarHBondContact O-CB 3.26Å; N663-D666 PolarHBondContact O-N 2.96Å; D666-F668 HydrophobicContact CB-CE2 4.04Å; D666-K715 WeakPolarHBondContact OD2-CD 3.24Å; D666-K715 WeakPolarHBondContact OD2-CE 3.2Å; D666-K715 IonicContact OD2-NZ 3.65Å; D666-K715 PolarHBondContact OD2-NZ 3.5Å; D666-P716 HydrophobicContact CB-CG 3.91Å; D666-P716 WeakPolarHBondContact OD1-CD 3.37Å; D666-P716 WeakPolarHBondContact OD1-CG 3.49Å
667	D	87.6	Confident	89.4	Confident	61 Å²	61	40.6 Å²	40.6	33%	0.326	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	111.2	173.3	-166.8	-25.6	0	0	0	109.6	K660 K662 G665 G669 P716	K660-D667 WeakPolarHBondContact CE-OD1 3.43Å; K660-D667 WeakPolarHBondContact CE-OD2 3.48Å; K660-D667 IonicContact NZ-OD1 3.5Å; K660-D667 IonicContact NZ-OD2 2.72Å; K660-D667 PolarHBondContact NZ-OD2 2.9Å; K662-D667 HydrophobicContact CG-CB 4.43Å; G665-D667 PolarHBondContact O-N 3.1Å; D667-G669 PolarHBondContact O-N 2.81Å; D667-G669 WeakPolarHBondContact OD1-CA 3.45Å; D667-G669 PolarHBondContact OD1-N 3.02Å; D667-P716 WeakPolarHBondContact O-CB 3.46Å
668	F	87.4	Confident	88.9	Confident	17 Å²	17	46.2 Å²	46.2	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-4.6	177.9	-65.5	-106.8	0	0	0	112.4	V661 N663 D666 L699 A714 K715 P716	V661-F668 HydrophobicContact CB-CB 4.32Å; V661-F668 HydrophobicContact CG1-CD2 4.29Å; V661-F668 PolarHBondContact O-N 3.27Å; N663-F668 HydrophobicContact CB-CE2 4.23Å; D666-F668 HydrophobicContact CB-CE2 4.04Å; F668-L699 HydrophobicContact CB-CD1 4.34Å; F668-L699 HydrophobicContact CB-CD2 3.93Å; F668-L699 HydrophobicContact CD1-CB 4.25Å; F668-L699 HydrophobicContact CD1-CD1 4.02Å; F668-L699 HydrophobicContact CG-CD1 4.19Å; F668-A714 HydrophobicContact CE1-CB 4.35Å; F668-A714 HydrophobicContact CZ-CB 4.43Å; F668-A714 WeakPolarHBondContact CZ-O 3.35Å; F668-K715 VanDerWaalsContact CE1-C 3.41Å; F668-P716 HydrophobicContact CD1-CB 4.19Å; F668-P716 HydrophobicContact CG-CB 4.24Å
669	G	91.2	Very high	87.9	Confident	20 Å²	20	51.5 Å²	51.5	21%	0.206	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	64.1	-146.9	-173.9	0	0	0	0	0	112	K660 V661 D667	K660-G669 WeakPolarHBondContact CA-O 3.4Å; K660-G669 WeakPolarHBondContact CG-O 3.36Å; V661-G669 PolarHBondContact N-O 3.44Å; D667-G669 PolarHBondContact O-N 2.81Å; D667-G669 WeakPolarHBondContact OD1-CA 3.45Å; D667-G669 PolarHBondContact OD1-N 3.02Å
670	W	93.6	Very high	86.5	Confident	43 Å²	43	55.8 Å²	55.8	16%	0.163	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	119.8	-176.9	-70.5	105.5	0	0	0	111.9	L658 V659 K660 A737 I762 V773 L775	L658-W670 HydrophobicContact CB-CE3 4.27Å; L658-W670 HydrophobicContact CD2-CB 4.17Å; L658-W670 HydrophobicContact CD2-CE3 4.42Å; V659-W670 VanDerWaalsContact C-CE3 3.43Å; K660-W670 HydrophobicContact CB-CD2 4.32Å; K660-W670 HydrophobicContact CB-CE3 4.11Å; K660-W670 HydrophobicContact CB-CH2 4.24Å; K660-W670 HydrophobicContact CB-CZ2 4.45Å; K660-W670 HydrophobicContact CB-CZ3 4.07Å; W670-A737 HydrophobicContact CH2-CB 4.07Å; W670-I762 HydrophobicContact CB-CG2 3.91Å; W670-V773 HydrophobicContact CH2-CB 4.35Å; W670-V773 HydrophobicContact CZ2-CB 3.82Å; W670-V773 HydrophobicContact CZ2-CG1 4.44Å; W670-V773 HydrophobicContact CZ2-CG2 4.35Å; W670-L775 HydrophobicContact CH2-CD2 3.67Å; W670-L775 HydrophobicContact CZ2-CD2 4.13Å
671	G	93.8	Very high	84.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	174	167.2	0	0	0	0	0	111.8	L658 V659 L698	L658-G671 WeakPolarHBondContact CD2-O 3.39Å; V659-G671 PolarHBondContact N-O 3.33Å; V659-G671 PolarHBondContact O-N 3.11Å; V659-G671 VanDerWaalsContact O-O 3.06Å; G671-L698 WeakPolarHBondContact CA-O 3.33Å
672	V	96.1	Very high	83.1	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.5	176.3	73.3	0	0	0	0	111.5	G656 R657 V674 V697 L698 L743 V758	G656-V672 VanDerWaalsContact CA-CG2 3.45Å; G656-V672 VanDerWaalsContact O-CG2 3.24Å; G656-V672 WeakPolarHBondContact O-CG2 3.46Å; R657-V672 WeakPolarHBondContact O-CA 3.5Å; R657-V672 WeakPolarHBondContact O-CG2 3.45Å; V672-V674 PolarHBondContact O-N 3.16Å; V672-V697 CarbonylContact O-C 3.51Å; V672-V697 WeakPolarHBondContact O-CA 3.34Å; V672-L698 HydrophobicContact CG1-CB 3.85Å; V672-L698 HydrophobicContact CG1-CD2 4.16Å; V672-L698 PolarHBondContact N-O 2.7Å; V672-L698 VanDerWaalsContact N-O 3.14Å; V672-L698 PolarHBondContact O-N 3.22Å; V672-L743 HydrophobicContact CG2-CB 4.48Å; V672-V758 HydrophobicContact CB-CG1 4.41Å; V672-V758 HydrophobicContact CG1-CG1 3.6Å
673	V	95.7	Very high	81.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	125	173	-179.7	0	0	0	0	109.2	L653 P655 G656 R657 V659 V695	L653-V673 HydrophobicContact CB-CG1 4.46Å; L653-V673 HydrophobicContact CD2-CG2 4.04Å; P655-V673 WeakPolarHBondContact CA-O 3.38Å; G656-V673 PolarHBondContact N-O 3.15Å; R657-V673 HydrophobicContact CB-CB 4.2Å; R657-V673 HydrophobicContact CB-CG2 4.03Å; R657-V673 HydrophobicContact CG-CG2 4.43Å; R657-V673 PolarHBondContact O-N 3.39Å; V659-V673 HydrophobicContact CB-CG2 4.45Å; V659-V673 HydrophobicContact CG1-CG2 3.7Å; V659-V673 HydrophobicContact CG2-CG2 3.83Å; V673-V695 HydrophobicContact CG1-CG1 4.06Å; V673-V695 HydrophobicContact CG2-CG1 4.25Å
674	V	93.4	Very high	79.9	Confident	29 Å²	29	59.9 Å²	59.9	18%	0.176	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-47.8	172.3	179.2	0	0	0	0	109.5	P655 V672 E696 L698 V727 I745 L749	P655-V674 WeakPolarHBondContact CB-O 3.38Å; P655-V674 WeakPolarHBondContact CG-O 3.48Å; V672-V674 PolarHBondContact O-N 3.16Å; V674-E696 HydrophobicContact CB-CB 4.31Å; V674-E696 WeakPolarHBondContact CB-O 3.3Å; V674-E696 PolarHBondContact N-O 3.4Å; V674-L698 HydrophobicContact CG2-CB 3.9Å; V674-V727 HydrophobicContact CG2-CG1 4.3Å; V674-V727 HydrophobicContact CG2-CG2 4.21Å; V674-I745 HydrophobicContact CB-CD1 4.3Å; V674-I745 HydrophobicContact CG1-CD1 4.1Å; V674-I745 HydrophobicContact CG2-CD1 4.15Å; V674-L749 HydrophobicContact CB-CD1 4.49Å; V674-L749 HydrophobicContact CG1-CD1 3.98Å; V674-L749 HydrophobicContact CG2-CD1 3.65Å
675	N	92.3	Very high	78.9	Confident	76 Å²	76	52.7 Å²	52.7	41%	0.406	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	172.2	-175.3	-168	22.1	0	0	0	110.1	E696	N675-E696 HydrophobicContact CB-CB 4.18Å; N675-E696 WeakPolarHBondContact CB-OE2 3.48Å; N675-E696 PolarHBondContact N-O 2.9Å; N675-E696 PolarHBondContact O-N 3.31Å
676	F	92.2	Very high	77.8	Confident	79 Å²	79	51.2 Å²	51.2	35%	0.346	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.6	162.4	69	-93.4	0	0	0	110.9	L650 L653 V694 V695	L650-F676 HydrophobicContact CD2-CD2 3.66Å; L650-F676 HydrophobicContact CD2-CE2 3.64Å; L650-F676 HydrophobicContact CD2-CG 4.31Å; L650-F676 HydrophobicContact CD2-CZ 4.26Å; L653-F676 HydrophobicContact CB-CD1 3.82Å; L653-F676 HydrophobicContact CB-CE1 4.24Å; L653-F676 WeakPolarHBondContact O-CD1 3.32Å; F676-V694 CarbonylContact C-O 3.59Å; F676-V694 WeakPolarHBondContact CA-O 3.35Å; F676-V695 HydrophobicContact CB-CG1 4.38Å; F676-V695 HydrophobicContact CB-CG2 4.41Å
677	S	87.4	Confident	76.5	Confident	33 Å²	33	51.8 Å²	51.8	23%	0.231	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140	177.7	62.2	0	0	0	0	111.2	V694	S677-V694 PolarHBondContact N-O 3.48Å; S677-V694 PolarHBondContact O-N 3.36Å
678	K	86.3	Confident	74.6	Confident	135 Å²	135	59 Å²	59	59%	0.587	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	112.5	163.3	-175.8	-173.3	-176.1	-176.5	0	107.1	P691 Y693	K678-P691 HydrophobicContact CD-CB 4.27Å; K678-P691 HydrophobicContact CG-CB 3.97Å; K678-Y693 HydrophobicContact CB-CD1 4.18Å; K678-Y693 HydrophobicContact CB-CE1 3.76Å; K678-Y693 HydrophobicContact CD-CE1 4.27Å; K678-Y693 HydrophobicContact CG-CD1 4.42Å; K678-Y693 HydrophobicContact CG-CE1 3.8Å
679	K	74.6	Confident	73.2	Confident	112 Å²	112	61.3 Å²	61.3	49%	0.487	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	137.5	169.6	-62.5	-164.3	-179.7	-176	0	109.1	P691 L692 V694	K679-P691 CarbonylContact O-C 3.56Å; K679-L692 PolarHBondContact N-O 3.07Å; K679-L692 PolarHBondContact O-N 2.71Å; K679-V694 HydrophobicContact CD-CG2 4Å; K679-V694 HydrophobicContact CG-CG2 4.2Å
680	S	66.9	Low	71.9	Confident	90 Å²	90	67.3 Å²	67.3	63%	0.629	36%	0.363	S	S	*	.			trans	-61.2	140.3	160.3	34.3	0	0	0	0	108.4	V682	S680-V682 PolarHBondContact O-N 2.74Å; S680-V682 VanDerWaalsContact OG-CG2 3.25Å; S680-V682 WeakPolarHBondContact OG-CG2 3.44Å
681	N	59.8	Low	70.9	Confident	34 Å²	34	67 Å²	67	18%	0.182	37%	0.367	C	S	.	.			trans	-80	71.1	177.2	-167.8	-2.1	0	0	0	109.4	K683 L689 L692	N681-K683 PolarHBondContact O-N 3.1Å; N681-L689 HydrophobicContact CB-CB 4.15Å; N681-L689 WeakPolarHBondContact ND2-CB 3.4Å; N681-L689 WeakPolarHBondContact ND2-CD1 3.26Å; N681-L692 HydrophobicContact CB-CD1 4.35Å; N681-L692 HydrophobicContact CB-CG 4.14Å
682	V	51.9	Low	70.1	Confident	98 Å²	98	70.3 Å²	70.3	59%	0.594	38%	0.384	S	S	*	.			trans	-80	56	-174.9	-162.3	0	0	0	0	111.1	S680 P684	S680-V682 PolarHBondContact O-N 2.74Å; S680-V682 VanDerWaalsContact OG-CG2 3.25Å; S680-V682 WeakPolarHBondContact OG-CG2 3.44Å; V682-P684 WeakPolarHBondContact O-CD 3.4Å
683	K	54.7	Low	69.6	Low	94 Å²	94	72.6 Å²	72.6	41%	0.409	39%	0.393	S	S	.	.			trans	-76.3	114.3	151.7	-76	-172.8	-178.7	-175.6	0	106.5	N681 N685 S686 E955	N681-K683 PolarHBondContact O-N 3.1Å; K683-N685 PolarHBondContact O-N 3.28Å; K683-N685 VanDerWaalsContact O-N 3.1Å; K683-S686 WeakPolarHBondContact CB-OG 3.36Å; K683-S686 PolarHBondContact O-OG 3.37Å; K683-E955 WeakPolarHBondContact CD-OE2 3.4Å; K683-E955 WeakPolarHBondContact CE-OE2 3.32Å; K683-E955 IonicContact NZ-OE2 3.85Å; K683-E955 PolarHBondContact NZ-OE2 2.68Å
684	P	51	Low	69.1	Low	68 Å²	68	73.3 Å²	73.3	44%	0.442	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-12.1	-173	27	-37.5	0	0	0	115.1	V682 M920	V682-P684 WeakPolarHBondContact O-CD 3.4Å; P684-M920 HydrophobicContact CB-CE 4.38Å; P684-M920 HydrophobicContact CB-SD 4.27Å; P684-M920 HydrophobicContact CG-CE 4.26Å; P684-M920 HydrophobicContact CG-SD 3.62Å
685	N	48.5	Very low	68.9	Low	12 Å²	12	72 Å²	72	6%	0.064	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-16.5	-169.9	-56.7	3.7	0	0	0	112.8	K683 Q935 K939 L958	K683-N685 PolarHBondContact O-N 3.28Å; K683-N685 VanDerWaalsContact O-N 3.1Å; N685-Q935 VanDerWaalsContact CG-NE2 3.3Å; N685-Q935 PolarHBondContact OD1-NE2 2.97Å; N685-K939 VanDerWaalsContact O-CE 3.32Å; N685-K939 WeakPolarHBondContact O-CE 3.44Å; N685-K939 PolarHBondContact O-NZ 3.32Å; N685-L958 HydrophobicContact CB-CB 3.99Å; N685-L958 PolarHBondContact ND2-O 2.94Å
686	S	49.4	Very low	68.8	Low	28 Å²	28	71.3 Å²	71.3	20%	0.196	38%	0.384	C	S	.	.	S	Bend	trans	-93.6	163.5	174.8	49.9	0	0	0	0	111.9	K683 L689	K683-S686 WeakPolarHBondContact CB-OG 3.36Å; K683-S686 PolarHBondContact O-OG 3.37Å; S686-L689 WeakPolarHBondContact OG-CD1 3.25Å
687	G	52.5	Low	68.9	Low	58 Å²	58	67.6 Å²	67.6	60%	0.598	37%	0.367	S	S	*	.			trans	-70.8	-170	170.5	0	0	0	0	0	112.9	L689	G687-L689 VanDerWaalsContact C-N 3.25Å; G687-L689 PolarHBondContact O-N 2.73Å
688	E	47	Very low	69.1	Low	213 Å²	213	66 Å²	66	100%	0.995	36%	0.356	S	S	*	.	S	Bend	trans	-67.6	82.5	172.9	-66.8	-164.9	147	0	0	111.2
689	L	59.1	Low	69.3	Low	65 Å²	65	59.6 Å²	59.6	34%	0.34	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-69.7	159.5	172.2	-69.1	171.8	0	0	0	111.4	N681 S686 G687 E955	N681-L689 HydrophobicContact CB-CB 4.15Å; N681-L689 WeakPolarHBondContact ND2-CB 3.4Å; N681-L689 WeakPolarHBondContact ND2-CD1 3.26Å; S686-L689 WeakPolarHBondContact OG-CD1 3.25Å; G687-L689 VanDerWaalsContact C-N 3.25Å; G687-L689 PolarHBondContact O-N 2.73Å; L689-E955 VanDerWaalsContact CD1-OE1 3.26Å; L689-E955 WeakPolarHBondContact CD1-OE1 3.37Å
690	D	63.5	Low	70.1	Confident	146 Å²	146	57.6 Å²	57.6	78%	0.781	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-53	138.3	175.6	-95.5	-47.2	0	0	0	112	L692	D690-L692 PolarHBondContact O-N 3.46Å
691	P	72.6	Confident	71	Confident	36 Å²	36	53.3 Å²	53.3	23%	0.234	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-71.6	130.7	-172.3	28	-34.5	0	0	0	111.8	K678 K679 Y693	K678-P691 HydrophobicContact CD-CB 4.27Å; K678-P691 HydrophobicContact CG-CB 3.97Å; K679-P691 CarbonylContact O-C 3.56Å; P691-Y693 HydrophobicContact CG-CE2 4.04Å; P691-Y693 VanDerWaalsContact O-CD2 3.23Å; P691-Y693 WeakPolarHBondContact O-CD2 3.26Å; P691-Y693 WeakPolarHBondContact O-CE2 3.25Å; P691-Y693 PolarHBondContact O-N 3.05Å
692	L	77.5	Confident	71.9	Confident	69 Å²	69	52.1 Å²	52.1	36%	0.361	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.6	-178.8	-63.7	176	0	0	0	110.9	K679 N681 D690 L731	K679-L692 PolarHBondContact N-O 3.07Å; K679-L692 PolarHBondContact O-N 2.71Å; N681-L692 HydrophobicContact CB-CD1 4.35Å; N681-L692 HydrophobicContact CB-CG 4.14Å; D690-L692 PolarHBondContact O-N 3.46Å; L692-L731 HydrophobicContact CB-CD2 4.42Å; L692-L731 HydrophobicContact CD2-CD2 4.45Å
693	Y	84.5	Confident	72.7	Confident	50 Å²	50	51.3 Å²	51.3	20%	0.196	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	112.8	173.4	-72	-85.3	0	0	0	110.1	P646 L650 K678 P691 V732	P646-Y693 HydrophobicContact CB-CD2 3.8Å; P646-Y693 HydrophobicContact CB-CE2 3.89Å; P646-Y693 HydrophobicContact CB-CG 4.34Å; P646-Y693 HydrophobicContact CG-CD2 3.73Å; P646-Y693 HydrophobicContact CG-CE2 4.16Å; P646-Y693 HydrophobicContact CG-CG 4.42Å; L650-Y693 HydrophobicContact CD1-CD1 3.78Å; L650-Y693 HydrophobicContact CD1-CE1 3.46Å; L650-Y693 VanDerWaalsContact CD1-CE1 3.46Å; L650-Y693 HydrophobicContact CD1-CG 4.42Å; L650-Y693 HydrophobicContact CD2-CD1 3.69Å; L650-Y693 HydrophobicContact CD2-CE1 4.09Å; L650-Y693 HydrophobicContact CD2-CG 4.45Å; L650-Y693 HydrophobicContact CG-CD1 4.31Å; L650-Y693 HydrophobicContact CG-CE1 4.43Å; K678-Y693 HydrophobicContact CB-CD1 4.18Å; K678-Y693 HydrophobicContact CB-CE1 3.76Å; K678-Y693 HydrophobicContact CD-CE1 4.27Å; K678-Y693 HydrophobicContact CG-CD1 4.42Å; K678-Y693 HydrophobicContact CG-CE1 3.8Å; P691-Y693 HydrophobicContact CG-CE2 4.04Å; P691-Y693 VanDerWaalsContact O-CD2 3.23Å; P691-Y693 WeakPolarHBondContact O-CD2 3.26Å; P691-Y693 WeakPolarHBondContact O-CE2 3.25Å; P691-Y693 PolarHBondContact O-N 3.05Å; Y693-V732 PolarHBondContact O-N 3.43Å
694	V	85.8	Confident	73	Confident	14 Å²	14	47.5 Å²	47.5	9%	0.085	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122	-177.9	179.8	0	0	0	0	109	F676 S677 K679 P729 V730 L731	F676-V694 CarbonylContact C-O 3.59Å; F676-V694 WeakPolarHBondContact CA-O 3.35Å; S677-V694 PolarHBondContact N-O 3.48Å; S677-V694 PolarHBondContact O-N 3.36Å; K679-V694 HydrophobicContact CD-CG2 4Å; K679-V694 HydrophobicContact CG-CG2 4.2Å; V694-P729 HydrophobicContact CG1-CB 3.5Å; V694-V730 WeakPolarHBondContact CA-O 3.35Å; V694-L731 HydrophobicContact CG2-CD2 4.19Å
695	V	90.3	Very high	73.5	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.7	-179.4	-167.3	0	0	0	0	108.3	L653 V673 F676 V697 P729 V730 V732 L735	L653-V695 HydrophobicContact CD1-CG1 4.26Å; L653-V695 HydrophobicContact CD1-CG2 3.66Å; L653-V695 HydrophobicContact CD2-CG1 4.46Å; V673-V695 HydrophobicContact CG1-CG1 4.06Å; V673-V695 HydrophobicContact CG2-CG1 4.25Å; F676-V695 HydrophobicContact CB-CG1 4.38Å; F676-V695 HydrophobicContact CB-CG2 4.41Å; V695-V697 HydrophobicContact CB-CG2 4.18Å; V695-V697 HydrophobicContact CG1-CG2 3.7Å; V695-V697 PolarHBondContact O-N 3.34Å; V695-P729 WeakPolarHBondContact O-CA 3.28Å; V695-V730 HydrophobicContact CB-CG2 4.36Å; V695-V730 PolarHBondContact N-O 3.17Å; V695-V730 WeakPolarHBondContact O-CG2 3.27Å; V695-V730 PolarHBondContact O-N 3.38Å; V695-V732 HydrophobicContact CG2-CB 4.39Å; V695-V732 HydrophobicContact CG2-CG2 4.41Å; V695-L735 HydrophobicContact CG2-CD1 4.37Å
696	E	90.4	Very high	73.9	Confident	63 Å²	63	47.1 Å²	47.1	29%	0.294	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	107	173.9	-70.5	172.6	-168.2	0	0	108	V674 N675 V727 P729	V674-E696 HydrophobicContact CB-CB 4.31Å; V674-E696 WeakPolarHBondContact CB-O 3.3Å; V674-E696 PolarHBondContact N-O 3.4Å; N675-E696 HydrophobicContact CB-CB 4.18Å; N675-E696 WeakPolarHBondContact CB-OE2 3.48Å; N675-E696 PolarHBondContact N-O 2.9Å; N675-E696 PolarHBondContact O-N 3.31Å; E696-V727 HydrophobicContact CB-CG1 3.98Å; E696-P729 HydrophobicContact CG-CB 4.46Å
697	V	92.4	Very high	74.1	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.4	-178	-172.4	0	0	0	0	109.4	V659 V661 V672 V695 L699 V728 V730	V659-V697 HydrophobicContact CG2-CG1 3.71Å; V659-V697 HydrophobicContact CG2-CG2 4.11Å; V661-V697 HydrophobicContact CG2-CG1 4.13Å; V661-V697 HydrophobicContact CG2-CG2 4.44Å; V672-V697 CarbonylContact O-C 3.51Å; V672-V697 WeakPolarHBondContact O-CA 3.34Å; V695-V697 HydrophobicContact CB-CG2 4.18Å; V695-V697 HydrophobicContact CG1-CG2 3.7Å; V695-V697 PolarHBondContact O-N 3.34Å; V697-L699 HydrophobicContact CB-CD1 4.45Å; V697-L699 HydrophobicContact CB-CD2 4.48Å; V697-L699 HydrophobicContact CB-CG 4.14Å; V697-L699 HydrophobicContact CG1-CD2 3.71Å; V697-L699 HydrophobicContact CG1-CG 3.83Å; V697-L699 PolarHBondContact O-N 3.24Å; V697-V728 PolarHBondContact N-O 2.99Å; V697-V728 PolarHBondContact O-N 3.29Å; V697-V730 HydrophobicContact CB-CG2 4.42Å; V697-V730 HydrophobicContact CG2-CG2 3.78Å
698	L	93.3	Very high	74	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	107	171.7	-172.3	81.9	0	0	0	108.8	G671 V672 V674 M725 Q726 V727 L749 R755 V758	G671-L698 WeakPolarHBondContact CA-O 3.33Å; V672-L698 HydrophobicContact CG1-CB 3.85Å; V672-L698 HydrophobicContact CG1-CD2 4.16Å; V672-L698 PolarHBondContact N-O 2.7Å; V672-L698 VanDerWaalsContact N-O 3.14Å; V672-L698 PolarHBondContact O-N 3.22Å; V674-L698 HydrophobicContact CG2-CB 3.9Å; L698-M725 HydrophobicContact CD1-CB 4.14Å; L698-M725 HydrophobicContact CD2-CB 4.08Å; L698-M725 HydrophobicContact CD2-CE 3.97Å; L698-M725 HydrophobicContact CG-CB 3.99Å; L698-M725 HydrophobicContact CG-CE 3.99Å; L698-M725 WeakPolarHBondContact O-CE 3.44Å; L698-Q726 CarbonylContact C-O 3.59Å; L698-Q726 WeakPolarHBondContact CA-O 3.36Å; L698-V727 HydrophobicContact CD1-CB 4.5Å; L698-V727 HydrophobicContact CD1-CG2 3.52Å; L698-L749 HydrophobicContact CD1-CD1 4.46Å; L698-R755 HydrophobicContact CD1-CB 4.19Å; L698-R755 HydrophobicContact CD1-CG 3.85Å; L698-V758 HydrophobicContact CD2-CB 3.79Å; L698-V758 HydrophobicContact CD2-CG1 3.86Å; L698-V758 HydrophobicContact CD2-CG2 4.05Å
699	L	90.7	Very high	74	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.8	-172	-68.1	170.7	0	0	0	112.5	V661 F668 V697 C701 M725 Q726 V728 V730	V661-L699 HydrophobicContact CB-CD1 4.1Å; V661-L699 HydrophobicContact CB-CD2 3.8Å; V661-L699 HydrophobicContact CG1-CD1 4Å; V661-L699 HydrophobicContact CG2-CD1 4.18Å; V661-L699 HydrophobicContact CG2-CD2 3.67Å; V661-L699 HydrophobicContact CG2-CG 4.47Å; F668-L699 HydrophobicContact CB-CD1 4.34Å; F668-L699 HydrophobicContact CB-CD2 3.93Å; F668-L699 HydrophobicContact CD1-CB 4.25Å; F668-L699 HydrophobicContact CD1-CD1 4.02Å; F668-L699 HydrophobicContact CG-CD1 4.19Å; V697-L699 HydrophobicContact CB-CD1 4.45Å; V697-L699 HydrophobicContact CB-CD2 4.48Å; V697-L699 HydrophobicContact CB-CG 4.14Å; V697-L699 HydrophobicContact CG1-CD2 3.71Å; V697-L699 HydrophobicContact CG1-CG 3.83Å; V697-L699 PolarHBondContact O-N 3.24Å; L699-C701 PolarHBondContact O-N 3.05Å; L699-M725 CarbonylContact O-C 3.58Å; L699-M725 WeakPolarHBondContact O-CA 3.47Å; L699-Q726 PolarHBondContact N-O 2.93Å; L699-Q726 PolarHBondContact O-N 2.89Å; L699-V728 HydrophobicContact CD1-CB 4.23Å; L699-V728 HydrophobicContact CD1-CG2 4.47Å; L699-V730 HydrophobicContact CD1-CG1 4.22Å
700	R	90.6	Very high	73.6	Confident	71 Å²	71	43.1 Å²	43.1	27%	0.268	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	80.2	176.6	-165.6	-170.2	81.7	140.6	10.9	110.9	A717 K718 M725 L759	R700-A717 HydrophobicContact CG-CB 4.2Å; R700-A717 PolarHBondContact NH2-O 2.82Å; R700-A717 PolarHBondContact O-N 3.42Å; R700-K718 PolarHBondContact NH2-O 2.9Å; R700-M725 HydrophobicContact CB-SD 3.81Å; R700-M725 HydrophobicContact CG-SD 4.27Å; R700-L759 HydrophobicContact CG-CD1 4.47Å
701	C	85.1	Confident	73.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	157.5	-176.4	-58.4	0	0	0	0	112.1	L699 K715 G723 E724 Q726	L699-C701 PolarHBondContact O-N 3.05Å; C701-K715 CarbonylContact C-O 3.56Å; C701-K715 VanDerWaalsContact CA-O 3.29Å; C701-K715 WeakPolarHBondContact CA-O 3.46Å; C701-G723 WeakPolarHBondContact O-CA 3.33Å; C701-E724 PolarHBondContact N-O 2.87Å; C701-E724 PolarHBondContact O-N 2.91Å; C701-Q726 HydrophobicContact CB-CB 4.23Å
702	S	79.4	Confident	72.3	Confident	8 Å²	8	45 Å²	45	6%	0.056	24%	0.24	C	C	.	.			trans	-63.5	158.1	170.1	76	0	0	0	0	111.4	E704 S705 K715 E721	S702-E704 PolarHBondContact O-N 2.82Å; S702-E704 PolarHBondContact OG-N 2.67Å; S702-S705 PolarHBondContact O-N 2.68Å; S702-S705 PolarHBondContact OG-N 2.95Å; S702-S705 PolarHBondContact OG-OG 3.17Å; S702-K715 PolarHBondContact N-O 3.04Å; S702-E721 WeakPolarHBondContact CA-OE2 3.36Å; S702-E721 WeakPolarHBondContact CB-OE2 3.42Å
703	K	68.1	Low	71.4	Confident	81 Å²	81	41.9 Å²	41.9	35%	0.352	22%	0.223	S	C	.	.	S	Bend	trans	-64.6	-18.1	173.3	-69	164.4	-172.6	177.4	0	113.3	E721	K703-E721 WeakPolarHBondContact CB-OE1 3.36Å; K703-E721 WeakPolarHBondContact CD-OE1 3.27Å; K703-E721 WeakPolarHBondContact CG-OE1 3.32Å; K703-E721 PolarHBondContact N-OE1 2.9Å
704	E	62.1	Low	70.8	Confident	15 Å²	15	40.2 Å²	40.2	7%	0.07	22%	0.22	C	C	.	.	S	Bend	trans	-74.6	-40	179.4	-178	170.9	-125.4	0	0	112.1	R501 F508 S702 L706 K707	R501-E704 IonicContact CZ-OE1 2.71Å; R501-E704 IonicContact CZ-OE2 3.14Å; R501-E704 IonicContact NE-OE1 3.49Å; R501-E704 PolarHBondContact NE-OE1 2.99Å; R501-E704 IonicContact NH1-OE1 3.1Å; R501-E704 PolarHBondContact NH1-OE1 3.03Å; R501-E704 VanDerWaalsContact NH1-OE1 3.08Å; R501-E704 IonicContact NH1-OE2 3.63Å; R501-E704 PolarHBondContact NH1-OE2 3.4Å; R501-E704 IonicContact NH2-OE1 3.46Å; R501-E704 PolarHBondContact NH2-OE1 3.39Å; R501-E704 IonicContact NH2-OE2 2.74Å; R501-E704 PolarHBondContact NH2-OE2 2.98Å; F508-E704 HydrophobicContact CB-CG 4.49Å; F508-E704 HydrophobicContact CD1-CG 4.31Å; F508-E704 WeakPolarHBondContact CD1-OE1 3.29Å; F508-E704 HydrophobicContact CD2-CG 3.98Å; F508-E704 HydrophobicContact CE2-CG 4.19Å; F508-E704 HydrophobicContact CG-CG 4.03Å; F508-E704 WeakPolarHBondContact CG-OE1 3.49Å; F508-E704 HydrophobicContact CZ-CG 4.45Å; S702-E704 PolarHBondContact O-N 2.82Å; S702-E704 PolarHBondContact OG-N 2.67Å; E704-L706 PolarHBondContact O-N 3.19Å; E704-K707 VanDerWaalsContact O-CB 3.27Å; E704-K707 WeakPolarHBondContact O-CB 3.42Å; E704-K707 WeakPolarHBondContact O-CG 3.47Å; E704-K707 PolarHBondContact O-N 2.98Å
705	S	60.3	Low	70.4	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.021	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.8	177.6	-58.3	0	0	0	0	114.4	S702 K707 A713 A714 K715	S702-S705 PolarHBondContact O-N 2.68Å; S702-S705 PolarHBondContact OG-N 2.95Å; S702-S705 PolarHBondContact OG-OG 3.17Å; S705-K707 VanDerWaalsContact C-N 3.31Å; S705-A713 WeakPolarHBondContact CA-O 3.4Å; S705-A713 VanDerWaalsContact CB-O 3.26Å; S705-A713 WeakPolarHBondContact CB-O 3.4Å; S705-A713 PolarHBondContact OG-O 3.48Å; S705-A714 WeakPolarHBondContact OG-CA 3.29Å; S705-K715 PolarHBondContact OG-N 3Å
706	L	57.8	Low	70.2	Confident	69 Å²	69	42.7 Å²	42.7	36%	0.361	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.9	173.6	-58.3	169.9	0	0	0	113.1	E704 E724 Q726	E704-L706 PolarHBondContact O-N 3.19Å; L706-E724 HydrophobicContact CD1-CB 4.01Å; L706-Q726 HydrophobicContact CD2-CB 4.42Å; L706-Q726 HydrophobicContact CD2-CG 4.4Å
707	K	52.9	Low	69.8	Low	45 Å²	45	40.1 Å²	40.1	20%	0.196	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-33.6	-174	-58.3	178.4	-171.3	179.8	0	112.8	D539 E704 S705	D539-K707 IonicContact OD1-NZ 3Å; D539-K707 PolarHBondContact OD1-NZ 2.72Å; D539-K707 WeakPolarHBondContact OD2-CE 3.32Å; D539-K707 IonicContact OD2-NZ 2.76Å; D539-K707 PolarHBondContact OD2-NZ 2.73Å; E704-K707 VanDerWaalsContact O-CB 3.27Å; E704-K707 WeakPolarHBondContact O-CB 3.42Å; E704-K707 WeakPolarHBondContact O-CG 3.47Å; E704-K707 PolarHBondContact O-N 2.98Å; S705-K707 VanDerWaalsContact C-N 3.31Å
708	N	50	Low	69.2	Low	52 Å²	52	44.3 Å²	44.3	28%	0.278	24%	0.24	S	C	.	.			trans	-98.9	145.3	-177.4	-85.9	8.7	0	0	0	112.5	F508 A710 A713	F508-N708 VanDerWaalsContact CE2-ND2 3.33Å; F508-N708 WeakPolarHBondContact CE2-ND2 3.39Å; F508-N708 WeakPolarHBondContact CZ-ND2 3.45Å; N708-A710 VanDerWaalsContact C-N 3.32Å; N708-A713 HydrophobicContact CB-CB 3.67Å
709	S	47.2	Very low	68.1	Low	134 Å²	134	50.8 Å²	50.8	94%	0.937	28%	0.282	S	S	*	.	S	Bend	trans	-82.7	-5.9	173.5	-53.1	0	0	0	0	114
710	A	51.2	Low	67.1	Low	48 Å²	48	56.7 Å²	56.7	40%	0.397	31%	0.314	S	S	.	.	S	Bend	trans	-90.7	133.1	-175.8	0	0	0	0	0	111.6	N708 E712 A713	N708-A710 VanDerWaalsContact C-N 3.32Å; A710-E712 VanDerWaalsContact C-N 3.25Å; A710-E712 PolarHBondContact O-N 2.83Å; A710-A713 WeakPolarHBondContact O-CB 3.47Å; A710-A713 PolarHBondContact O-N 3.37Å
711	T	53.9	Low	66.3	Low	78 Å²	78	54.8 Å²	54.8	48%	0.479	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-55.2	-38.5	-179.1	-53.9	0	0	0	0	113.2	A713 A714 V728 P729	T711-A713 PolarHBondContact O-N 2.9Å; T711-A714 WeakPolarHBondContact O-CB 3.31Å; T711-A714 PolarHBondContact O-N 3.02Å; T711-V728 HydrophobicContact CG2-CG1 4.47Å; T711-P729 HydrophobicContact CG2-CG 3.82Å; T711-P729 VanDerWaalsContact CG2-O 3.26Å; T711-P729 WeakPolarHBondContact CG2-O 3.5Å
712	E	54.9	Low	65.7	Low	144 Å²	144	61.5 Å²	61.5	67%	0.673	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-66.7	-19	-175.8	-69.7	143.9	-172.8	0	0	113.3	A710 A714	A710-E712 VanDerWaalsContact C-N 3.25Å; A710-E712 PolarHBondContact O-N 2.83Å; E712-A714 PolarHBondContact O-N 2.66Å
713	A	59.3	Low	65.5	Low	3 Å²	3	61.4 Å²	61.4	3%	0.025	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-76.4	3.3	176.3	0	0	0	0	0	114.2	F508 S705 N708 A710 T711 K715	F508-A713 HydrophobicContact CE2-CB 4.13Å; S705-A713 WeakPolarHBondContact CA-O 3.4Å; S705-A713 VanDerWaalsContact CB-O 3.26Å; S705-A713 WeakPolarHBondContact CB-O 3.4Å; S705-A713 PolarHBondContact OG-O 3.48Å; N708-A713 HydrophobicContact CB-CB 3.67Å; A710-A713 WeakPolarHBondContact O-CB 3.47Å; A710-A713 PolarHBondContact O-N 3.37Å; T711-A713 PolarHBondContact O-N 2.9Å; A713-K715 PolarHBondContact O-N 3.49Å
714	A	71.6	Confident	66.2	Low	15 Å²	15	59.2 Å²	59.2	12%	0.124	33%	0.329	C	S	.	.			trans	-69.8	124.2	175.2	0	0	0	0	0	111.4	F668 S705 T711 E712 V728	F668-A714 HydrophobicContact CE1-CB 4.35Å; F668-A714 HydrophobicContact CZ-CB 4.43Å; F668-A714 WeakPolarHBondContact CZ-O 3.35Å; S705-A714 WeakPolarHBondContact OG-CA 3.29Å; T711-A714 WeakPolarHBondContact O-CB 3.31Å; T711-A714 PolarHBondContact O-N 3.02Å; E712-A714 PolarHBondContact O-N 2.66Å; A714-V728 HydrophobicContact CB-CG1 3.76Å; A714-V728 HydrophobicContact CB-CG2 4.15Å
715	K	77.6	Confident	67.4	Low	40 Å²	40	58.5 Å²	58.5	17%	0.174	33%	0.325	C	S	.	.			trans	-138.1	148.2	178.6	-69.3	-63	-170.5	-177.8	0	111	D507 D666 F668 C701 S702 S705 A713	D507-K715 WeakPolarHBondContact OD1-CE 3.3Å; D507-K715 IonicContact OD1-NZ 3.34Å; D507-K715 PolarHBondContact OD1-NZ 2.72Å; D666-K715 WeakPolarHBondContact OD2-CD 3.24Å; D666-K715 WeakPolarHBondContact OD2-CE 3.2Å; D666-K715 IonicContact OD2-NZ 3.65Å; D666-K715 PolarHBondContact OD2-NZ 3.5Å; F668-K715 VanDerWaalsContact CE1-C 3.41Å; C701-K715 CarbonylContact C-O 3.56Å; C701-K715 VanDerWaalsContact CA-O 3.29Å; C701-K715 WeakPolarHBondContact CA-O 3.46Å; S702-K715 PolarHBondContact N-O 3.04Å; S705-K715 PolarHBondContact OG-N 3Å; A713-K715 PolarHBondContact O-N 3.49Å
716	P	84.8	Confident	68.6	Low	27 Å²	27	60.6 Å²	60.6	18%	0.175	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-67.5	146.7	-179.5	29.1	-36.5	0	0	0	111.8	D666 D667 F668	D666-P716 HydrophobicContact CB-CG 3.91Å; D666-P716 WeakPolarHBondContact OD1-CD 3.37Å; D666-P716 WeakPolarHBondContact OD1-CG 3.49Å; D667-P716 WeakPolarHBondContact O-CB 3.46Å; F668-P716 HydrophobicContact CD1-CB 4.19Å; F668-P716 HydrophobicContact CG-CB 4.24Å
717	A	83.6	Confident	70	Confident	9 Å²	9	59.7 Å²	59.7	7%	0.074	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.8	132	172.2	0	0	0	0	0	111.1	R700 E721	R700-A717 HydrophobicContact CG-CB 4.2Å; R700-A717 PolarHBondContact NH2-O 2.82Å; R700-A717 PolarHBondContact O-N 3.42Å; A717-E721 WeakPolarHBondContact CA-OE2 3.36Å; A717-E721 HydrophobicContact CB-CB 4.43Å
718	K	78.4	Confident	71.5	Confident	88 Å²	88	57.9 Å²	57.9	38%	0.383	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-62.3	162.1	-177.6	-66.1	173.7	-177.8	171	0	112.4	E540 R700 D720 E721	E540-K718 IonicContact OE1-NZ 3.45Å; E540-K718 PolarHBondContact OE1-NZ 3.32Å; R700-K718 PolarHBondContact NH2-O 2.9Å; K718-D720 VanDerWaalsContact C-N 3.29Å; K718-D720 PolarHBondContact O-N 3.21Å; K718-E721 HydrophobicContact CB-CB 4.02Å; K718-E721 PolarHBondContact N-OE2 3.21Å; K718-E721 WeakPolarHBondContact O-CB 3.4Å; K718-E721 PolarHBondContact O-N 3.45Å
719	P	71.3	Confident	73.1	Confident	136 Å²	136	57.6 Å²	57.6	88%	0.883	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-33.8	-177.2	-25.9	36	0	0	0	114.5	E721	P719-E721 VanDerWaalsContact C-N 3.35Å
720	D	69.4	Low	75	Confident	125 Å²	125	51.8 Å²	51.8	67%	0.668	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-0.6	174.6	62.1	-31	0	0	0	113.4	K718	K718-D720 VanDerWaalsContact C-N 3.29Å; K718-D720 PolarHBondContact O-N 3.21Å
721	E	74.1	Confident	76.7	Confident	31 Å²	31	52.4 Å²	52.4	15%	0.145	28%	0.281	C	S	.	.			trans	-100.4	132.1	-179.1	-163.3	-171.1	-173.4	0	0	112.4	S702 K703 A717 K718 P719 G723	S702-E721 WeakPolarHBondContact CA-OE2 3.36Å; S702-E721 WeakPolarHBondContact CB-OE2 3.42Å; K703-E721 WeakPolarHBondContact CB-OE1 3.36Å; K703-E721 WeakPolarHBondContact CD-OE1 3.27Å; K703-E721 WeakPolarHBondContact CG-OE1 3.32Å; K703-E721 PolarHBondContact N-OE1 2.9Å; A717-E721 WeakPolarHBondContact CA-OE2 3.36Å; A717-E721 HydrophobicContact CB-CB 4.43Å; K718-E721 HydrophobicContact CB-CB 4.02Å; K718-E721 PolarHBondContact N-OE2 3.21Å; K718-E721 WeakPolarHBondContact O-CB 3.4Å; K718-E721 PolarHBondContact O-N 3.45Å; P719-E721 VanDerWaalsContact C-N 3.35Å; E721-G723 PolarHBondContact O-N 3.39Å
722	K	71.9	Confident	78.3	Confident	140 Å²	140	49.4 Å²	49.4	61%	0.609	26%	0.262	S	S	*	.			trans	-60	-30.6	175.9	-170.9	177.2	178	-176.8	0	113.6	D354	D354-K722 IonicContact OD2-NZ 3.17Å
723	G	75.4	Confident	79.8	Confident	7 Å²	7	47.3 Å²	47.3	7%	0.072	25%	0.252	C	S	.	.			trans	65.3	167.2	-173.9	0	0	0	0	0	114.9	C701 E721	C701-G723 WeakPolarHBondContact O-CA 3.33Å; E721-G723 PolarHBondContact O-N 3.39Å
724	E	82.8	Confident	81.2	Confident	34 Å²	34	48.4 Å²	48.4	16%	0.159	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.1	163.9	-170.6	171.3	139.4	0	0	109.5	C701 L706 Q726 V752 R755	C701-E724 PolarHBondContact N-O 2.87Å; C701-E724 PolarHBondContact O-N 2.91Å; L706-E724 HydrophobicContact CD1-CB 4.01Å; E724-Q726 PolarHBondContact O-N 3.21Å; E724-V752 HydrophobicContact CG-CG1 4.46Å; E724-R755 IonicContact OE1-CZ 3.69Å; E724-R755 VanDerWaalsContact OE1-CZ 3.31Å; E724-R755 IonicContact OE1-NH1 3.43Å; E724-R755 PolarHBondContact OE1-NH1 3.05Å; E724-R755 IonicContact OE1-NH2 3.8Å; E724-R755 PolarHBondContact OE1-NH2 3.35Å
725	M	86.5	Confident	82.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	110.1	174.9	-67.9	-57.5	-78.4	0	0	110.2	L698 L699 R700 R755 L759 I762	L698-M725 HydrophobicContact CD1-CB 4.14Å; L698-M725 HydrophobicContact CD2-CB 4.08Å; L698-M725 HydrophobicContact CD2-CE 3.97Å; L698-M725 HydrophobicContact CG-CB 3.99Å; L698-M725 HydrophobicContact CG-CE 3.99Å; L698-M725 WeakPolarHBondContact O-CE 3.44Å; L699-M725 CarbonylContact O-C 3.58Å; L699-M725 WeakPolarHBondContact O-CA 3.47Å; R700-M725 HydrophobicContact CB-SD 3.81Å; R700-M725 HydrophobicContact CG-SD 4.27Å; M725-R755 HydrophobicContact CB-CB 3.94Å; M725-R755 WeakPolarHBondContact CG-O 3.29Å; M725-R755 VanDerWaalsContact O-CD 3.29Å; M725-R755 WeakPolarHBondContact O-CD 3.14Å; M725-R755 PolarHBondContact O-NH1 3.2Å; M725-L759 HydrophobicContact CG-CB 3.64Å; M725-L759 HydrophobicContact CG-CD2 4.44Å; M725-L759 HydrophobicContact CG-CG 4.44Å; M725-L759 HydrophobicContact SD-CB 3.94Å; M725-L759 HydrophobicContact SD-CD1 3.85Å; M725-L759 HydrophobicContact SD-CG 4.3Å; M725-I762 HydrophobicContact CE-CD1 3.62Å
726	Q	85	Confident	82.6	Confident	48 Å²	48	46.6 Å²	46.6	22%	0.224	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.2	-179	-177.3	174	-2.3	0	0	110.3	L698 L699 C701 L706 E724 V728	L698-Q726 CarbonylContact C-O 3.59Å; L698-Q726 WeakPolarHBondContact CA-O 3.36Å; L699-Q726 PolarHBondContact N-O 2.93Å; L699-Q726 PolarHBondContact O-N 2.89Å; C701-Q726 HydrophobicContact CB-CB 4.23Å; L706-Q726 HydrophobicContact CD2-CB 4.42Å; L706-Q726 HydrophobicContact CD2-CG 4.4Å; E724-Q726 PolarHBondContact O-N 3.21Å; Q726-V728 HydrophobicContact CB-CG2 4.43Å; Q726-V728 HydrophobicContact CG-CG2 4.22Å; Q726-V728 PolarHBondContact O-N 2.97Å
727	V	87.4	Confident	82.9	Confident	49 Å²	49	45.8 Å²	45.8	30%	0.297	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	114.7	172.1	-175.8	0	0	0	0	107.6	V674 E696 L698 L749	V674-V727 HydrophobicContact CG2-CG1 4.3Å; V674-V727 HydrophobicContact CG2-CG2 4.21Å; E696-V727 HydrophobicContact CB-CG1 3.98Å; L698-V727 HydrophobicContact CD1-CB 4.5Å; L698-V727 HydrophobicContact CD1-CG2 3.52Å; V727-L749 HydrophobicContact CG2-CD1 4.21Å
728	V	85.1	Confident	83.4	Confident	8 Å²	8	45.6 Å²	45.6	5%	0.048	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.2	-179.7	-174.5	0	0	0	0	108.7	V697 L699 T711 A714 Q726 V730	V697-V728 PolarHBondContact N-O 2.99Å; V697-V728 PolarHBondContact O-N 3.29Å; L699-V728 HydrophobicContact CD1-CB 4.23Å; L699-V728 HydrophobicContact CD1-CG2 4.47Å; T711-V728 HydrophobicContact CG2-CG1 4.47Å; A714-V728 HydrophobicContact CB-CG1 3.76Å; A714-V728 HydrophobicContact CB-CG2 4.15Å; Q726-V728 HydrophobicContact CB-CG2 4.43Å; Q726-V728 HydrophobicContact CG-CG2 4.22Å; Q726-V728 PolarHBondContact O-N 2.97Å; V728-V730 HydrophobicContact CB-CG1 4.31Å; V728-V730 HydrophobicContact CG1-CG1 3.82Å; V728-V730 PolarHBondContact O-N 2.95Å
729	P	84.5	Confident	84.2	Confident	45 Å²	45	41.4 Å²	41.4	29%	0.292	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	110.2	169.6	27.6	-27.7	0	0	0	109.6	V694 V695 E696 T711	V694-P729 HydrophobicContact CG1-CB 3.5Å; V695-P729 WeakPolarHBondContact O-CA 3.28Å; E696-P729 HydrophobicContact CG-CB 4.46Å; T711-P729 HydrophobicContact CG2-CG 3.82Å; T711-P729 VanDerWaalsContact CG2-O 3.26Å; T711-P729 WeakPolarHBondContact CG2-O 3.5Å
730	V	86.7	Confident	85.2	Confident	13 Å²	13	37.8 Å²	37.8	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	151	-179.7	-61.4	0	0	0	0	111.3	V661 V694 V695 V697 L699 V728 L734 L735	V661-V730 HydrophobicContact CG1-CG1 4.25Å; V694-V730 WeakPolarHBondContact CA-O 3.35Å; V695-V730 HydrophobicContact CB-CG2 4.36Å; V695-V730 PolarHBondContact N-O 3.17Å; V695-V730 WeakPolarHBondContact O-CG2 3.27Å; V695-V730 PolarHBondContact O-N 3.38Å; V697-V730 HydrophobicContact CB-CG2 4.42Å; V697-V730 HydrophobicContact CG2-CG2 3.78Å; L699-V730 HydrophobicContact CD1-CG1 4.22Å; V728-V730 HydrophobicContact CB-CG1 4.31Å; V728-V730 HydrophobicContact CG1-CG1 3.82Å; V728-V730 PolarHBondContact O-N 2.95Å; V730-L734 HydrophobicContact CB-CD1 4.21Å; V730-L735 HydrophobicContact CG2-CD2 4.4Å
731	L	85.9	Confident	86.4	Confident	61 Å²	61	32.9 Å²	32.9	32%	0.319	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	145.5	172.4	-69.3	174.3	0	0	0	110.6	L692 V694 H733 L734	L692-L731 HydrophobicContact CB-CD2 4.42Å; L692-L731 HydrophobicContact CD2-CD2 4.45Å; V694-L731 HydrophobicContact CG2-CD2 4.19Å; L731-H733 PolarHBondContact O-N 2.75Å; L731-H733 VanDerWaalsContact O-N 3.14Å; L731-L734 HydrophobicContact CB-CD1 4.4Å; L731-L734 HydrophobicContact CB-CG 4.48Å; L731-L734 WeakPolarHBondContact O-CB 3.47Å; L731-L734 PolarHBondContact O-N 2.96Å
732	V	88.6	Confident	87.3	Confident	14 Å²	14	38 Å²	38	9%	0.085	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-58.9	-29.2	-172.5	70.7	0	0	0	0	114.5	P646 C649 Y693 V695 L734 L735	P646-V732 HydrophobicContact CG-CG1 4.24Å; C649-V732 WeakPolarHBondContact SG-CG2 3.22Å; Y693-V732 PolarHBondContact O-N 3.43Å; V695-V732 HydrophobicContact CG2-CB 4.39Å; V695-V732 HydrophobicContact CG2-CG2 4.41Å; V732-L734 PolarHBondContact O-N 3.45Å; V732-L735 HydrophobicContact CG2-CD1 4.28Å; V732-L735 WeakPolarHBondContact O-CB 3.41Å; V732-L735 WeakPolarHBondContact O-CG 3.46Å; V732-L735 PolarHBondContact O-N 3Å
733	H	86.2	Confident	88.3	Confident	100 Å²	100	32.6 Å²	32.6	46%	0.463	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-71	-15.2	177.7	64.2	-113.7	0	0	0	113.9	H644 L731 L735	H644-H733 PolarHBondContact ND1-O 2.72Å; H644-H733 VanDerWaalsContact ND1-O 3.15Å; L731-H733 PolarHBondContact O-N 2.75Å; L731-H733 VanDerWaalsContact O-N 3.14Å; H733-L735 PolarHBondContact O-N 2.96Å
734	L	88.8	Confident	89	Confident	27 Å²	27	40.8 Å²	40.8	14%	0.141	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-79.6	-2.6	175.9	-56.2	175.7	0	0	0	112.4	V661 K662 N663 V730 L731 V732 S736	V661-L734 WeakPolarHBondContact CA-O 3.43Å; V661-L734 HydrophobicContact CG1-CB 4.34Å; K662-L734 PolarHBondContact N-O 3.09Å; N663-L734 HydrophobicContact CB-CD2 4.1Å; N663-L734 WeakPolarHBondContact OD1-CD2 3.06Å; V730-L734 HydrophobicContact CB-CD1 4.21Å; L731-L734 HydrophobicContact CB-CD1 4.4Å; L731-L734 HydrophobicContact CB-CG 4.48Å; L731-L734 WeakPolarHBondContact O-CB 3.47Å; L731-L734 PolarHBondContact O-N 2.96Å; V732-L734 PolarHBondContact O-N 3.45Å; L734-S736 PolarHBondContact O-N 3.42Å
735	L	90	Very high	89.4	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	108.3	171.4	-55	-173.7	0	0	0	109.2	L653 V659 V661 V695 V730 V732 H733	L653-L735 HydrophobicContact CD1-CD1 4.38Å; L653-L735 HydrophobicContact CD2-CD1 3.7Å; V659-L735 HydrophobicContact CB-CD2 4.38Å; V659-L735 HydrophobicContact CG2-CD2 4.31Å; V661-L735 HydrophobicContact CG2-CD2 3.85Å; V695-L735 HydrophobicContact CG2-CD1 4.37Å; V730-L735 HydrophobicContact CG2-CD2 4.4Å; V732-L735 HydrophobicContact CG2-CD1 4.28Å; V732-L735 WeakPolarHBondContact O-CB 3.41Å; V732-L735 WeakPolarHBondContact O-CG 3.46Å; V732-L735 PolarHBondContact O-N 3Å; H733-L735 PolarHBondContact O-N 2.96Å
736	S	88.1	Confident	89.5	Confident	14 Å²	14	42.2 Å²	42.2	10%	0.098	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-24.2	177.3	52.9	0	0	0	0	113	K660 L734	K660-S736 PolarHBondContact O-N 3.2Å; K660-S736 PolarHBondContact O-OG 2.71Å; K660-S736 VanDerWaalsContact O-OG 3.09Å; L734-S736 PolarHBondContact O-N 3.42Å
737	A	90.8	Very high	89.5	Confident	11 Å²	11	50 Å²	50	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	149.9	174.4	0	0	0	0	0	112.4	V659 K660 W670 L775	V659-A737 CarbonylContact C-O 3.56Å; V659-A737 WeakPolarHBondContact CA-O 3.31Å; K660-A737 HydrophobicContact CB-CB 3.83Å; K660-A737 PolarHBondContact N-O 3.41Å; K660-A737 PolarHBondContact O-N 2.96Å; W670-A737 HydrophobicContact CH2-CB 4.07Å; A737-L775 HydrophobicContact CB-CD2 3.92Å
738	I	93.9	Very high	89.4	Confident	5 Å²	5	50 Å²	50	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.8	173.5	-49.3	178.4	0	0	0	107.4	I643 C649 F652 R657 V659 L776 M782	I643-I738 HydrophobicContact CG2-CD1 4.07Å; I643-I738 HydrophobicContact CG2-CG1 4.26Å; C649-I738 HydrophobicContact CB-CD1 3.67Å; F652-I738 HydrophobicContact CB-CG2 4.33Å; R657-I738 HydrophobicContact CG-CG2 3.94Å; V659-I738 HydrophobicContact CG1-CG1 4.33Å; V659-I738 HydrophobicContact CG1-CG2 4.15Å; I738-L776 HydrophobicContact CB-CD1 4.11Å; I738-L776 HydrophobicContact CG2-CD1 3.53Å; I738-L776 HydrophobicContact CG2-CG 4.48Å; I738-L776 PolarHBondContact O-N 2.55Å; I738-M782 HydrophobicContact CD1-CE 4.41Å
739	S	94.9	Very high	89.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	156.9	-175.4	69.9	0	0	0	0	113.7	R657 L658 V741 P774	R657-S739 WeakPolarHBondContact CD-O 3.37Å; R657-S739 PolarHBondContact NH1-O 3.44Å; L658-S739 WeakPolarHBondContact CB-OG 3.38Å; L658-S739 PolarHBondContact O-N 3.09Å; L658-S739 PolarHBondContact O-OG 3.35Å; S739-V741 PolarHBondContact O-N 2.99Å; S739-P774 WeakPolarHBondContact CA-O 3.43Å; S739-P774 VanDerWaalsContact CB-O 3.24Å; S739-P774 WeakPolarHBondContact CB-O 3.37Å
740	T	93.3	Very high	89.2	Confident	59 Å²	59	58.4 Å²	58.4	36%	0.362	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-25.8	169.6	49.2	0	0	0	0	112.2	R657 P774 L775 L776	R657-T740 VanDerWaalsContact NH1-C 3.3Å; R657-T740 PolarHBondContact NH1-O 3.14Å; T740-P774 PolarHBondContact N-O 3.38Å; T740-P774 WeakPolarHBondContact OG1-CG 3.47Å; T740-P774 PolarHBondContact OG1-O 3.29Å; T740-P774 VanDerWaalsContact OG1-O 3.08Å; T740-L775 WeakPolarHBondContact CG2-O 3.47Å; T740-L776 HydrophobicContact CG2-CD2 3.76Å; T740-L776 HydrophobicContact CG2-CG 4.48Å
741	V	93.7	Very high	89.2	Confident	22 Å²	22	60.1 Å²	60.1	13%	0.133	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	136	-173	-173.9	0	0	0	0	112.5	L658 S739 V765 V773 P774	L658-V741 HydrophobicContact CB-CB 4.48Å; L658-V741 HydrophobicContact CD1-CB 4.17Å; L658-V741 HydrophobicContact CD1-CG1 3.97Å; L658-V741 PolarHBondContact N-O 3.16Å; L658-V741 VanDerWaalsContact N-O 3.12Å; S739-V741 PolarHBondContact O-N 2.99Å; V741-V765 HydrophobicContact CG1-CG1 4.21Å; V741-V765 HydrophobicContact CG1-CG2 4.03Å; V741-V765 HydrophobicContact CG2-CG1 4.33Å; V741-V773 HydrophobicContact CG2-CG1 3.93Å; V741-P774 HydrophobicContact CG2-CG 4.03Å
742	R	93.6	Very high	89	Confident	138 Å²	138	60.3 Å²	60.3	52%	0.521	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.8	166.8	-65.4	-176.2	66.3	-162.4	-1.8	110.8	P655 G656	P655-R742 PolarHBondContact O-NH2 3.16Å; G656-R742 CarbonylContact O-C 3.14Å; G656-R742 VanDerWaalsContact O-CA 3.27Å; G656-R742 WeakPolarHBondContact O-CA 3.32Å
743	L	92.5	Very high	88.9	Confident	27 Å²	27	65.8 Å²	65.8	14%	0.141	31%	0.311	C	S	.	.			trans	-96.5	155.1	177.1	-69.5	179.7	0	0	0	111.8	G656 L658 V672 I762 V765	G656-L743 WeakPolarHBondContact CA-O 3.14Å; G656-L743 PolarHBondContact O-N 3.11Å; L658-L743 HydrophobicContact CD1-CD1 4.11Å; L658-L743 HydrophobicContact CD1-CG 4.29Å; L658-L743 HydrophobicContact CD2-CD1 4.15Å; L658-L743 HydrophobicContact CG-CD1 3.94Å; L658-L743 HydrophobicContact CG-CG 4.22Å; V672-L743 HydrophobicContact CG2-CB 4.48Å; L743-I762 HydrophobicContact CD1-CB 4.5Å; L743-I762 HydrophobicContact CD1-CG1 3.59Å; L743-V765 HydrophobicContact CD2-CG2 3.69Å
744	Y	91.1	Very high	89	Confident	180 Å²	180	63.7 Å²	63.7	71%	0.706	30%	0.304	S	S	*	.			trans	-71.5	127.8	165.6	178.5	-92.1	0	0	0	110.4
745	I	90.4	Very high	88.9	Confident	41 Å²	41	63.9 Å²	63.9	21%	0.21	30%	0.302	C	S	.	.			trans	-109.9	123.6	178.2	168.8	168.2	0	0	0	109.2	V674 L749	V674-I745 HydrophobicContact CB-CD1 4.3Å; V674-I745 HydrophobicContact CG1-CD1 4.1Å; V674-I745 HydrophobicContact CG2-CD1 4.15Å; I745-L749 HydrophobicContact CD1-CD1 3.81Å; I745-L749 HydrophobicContact CG1-CD1 4.21Å; I745-L749 HydrophobicContact CG1-CD2 4.45Å; I745-L749 HydrophobicContact CG1-CG 4.48Å
746	P	89.1	Confident	88.7	Confident	22 Å²	22	65.8 Å²	65.8	14%	0.143	31%	0.311	C	S	.	.			trans	-58.8	139.9	172.2	-24.7	34.4	0	0	0	112	D748 L749 N754 V758	P746-D748 PolarHBondContact O-N 2.97Å; P746-D748 VanDerWaalsContact O-N 3.11Å; P746-L749 HydrophobicContact CB-CD2 4.38Å; P746-L749 HydrophobicContact CG-CD2 4.45Å; P746-N754 HydrophobicContact CB-CB 4.17Å; P746-N754 HydrophobicContact CG-CB 4.32Å; P746-V758 HydrophobicContact CG-CG2 4.4Å
747	K	85.1	Confident	88.8	Confident	212 Å²	212	67.9 Å²	67.9	92%	0.922	33%	0.326	S	S	*	.	S	Bend	trans	-62.4	-18.1	-178.3	-69	-171.8	177.4	-176.1	0	114.9
748	D	85.8	Confident	88.8	Confident	49 Å²	49	67.4 Å²	67.4	26%	0.262	32%	0.322	S	S	.	.			trans	-129.5	114.4	174.9	-171.8	-5.7	0	0	0	109.5	P746 R750 N754	P746-D748 PolarHBondContact O-N 2.97Å; P746-D748 VanDerWaalsContact O-N 3.11Å; D748-R750 VanDerWaalsContact OD1-CB 3.26Å; D748-R750 WeakPolarHBondContact OD1-CB 3.4Å; D748-R750 VanDerWaalsContact OD1-CG 3.26Å; D748-R750 WeakPolarHBondContact OD1-CG 3.35Å; D748-R750 IonicContact OD1-CZ 2.68Å; D748-R750 PolarHBondContact OD1-N 2.74Å; D748-R750 IonicContact OD1-NE 3.72Å; D748-R750 PolarHBondContact OD1-NE 3.13Å; D748-R750 IonicContact OD1-NH2 2.68Å; D748-R750 IonicContact OD2-CZ 2.9Å; D748-R750 IonicContact OD2-NE 3.54Å; D748-R750 PolarHBondContact OD2-NE 3.19Å; D748-R750 VanDerWaalsContact OD2-NE 3.15Å; D748-R750 IonicContact OD2-NH2 2.67Å; D748-R750 PolarHBondContact OD2-NH2 3.23Å; D748-N754 WeakPolarHBondContact O-CB 3.49Å; D748-N754 PolarHBondContact O-ND2 3.27Å
749	L	85.3	Confident	88.7	Confident	26 Å²	26	68 Å²	68	14%	0.136	33%	0.325	C	S	.	.			trans	-98.6	7.7	176.8	-66.9	-177.3	0	0	0	113.1	V674 L698 V727 I745 P746 R755	V674-L749 HydrophobicContact CB-CD1 4.49Å; V674-L749 HydrophobicContact CG1-CD1 3.98Å; V674-L749 HydrophobicContact CG2-CD1 3.65Å; L698-L749 HydrophobicContact CD1-CD1 4.46Å; V727-L749 HydrophobicContact CG2-CD1 4.21Å; I745-L749 HydrophobicContact CD1-CD1 3.81Å; I745-L749 HydrophobicContact CG1-CD1 4.21Å; I745-L749 HydrophobicContact CG1-CD2 4.45Å; I745-L749 HydrophobicContact CG1-CG 4.48Å; P746-L749 HydrophobicContact CB-CD2 4.38Å; P746-L749 HydrophobicContact CG-CD2 4.45Å; L749-R755 HydrophobicContact CB-CG 4.03Å; L749-R755 HydrophobicContact CD2-CG 4.2Å; L749-R755 WeakPolarHBondContact O-CD 3.36Å; L749-R755 WeakPolarHBondContact O-CG 3.42Å; L749-R755 PolarHBondContact O-NE 3.13Å; L749-R755 VanDerWaalsContact O-NE 3.08Å
750	R	80.4	Confident	88.4	Confident	203 Å²	203	74.7 Å²	74.7	77%	0.766	35%	0.354	S	S	*	.	S	Bend	trans	-66	-42.4	174.5	-59.5	170.9	-64.6	178.3	4.9	112.1	D748	D748-R750 VanDerWaalsContact OD1-CB 3.26Å; D748-R750 WeakPolarHBondContact OD1-CB 3.4Å; D748-R750 VanDerWaalsContact OD1-CG 3.26Å; D748-R750 WeakPolarHBondContact OD1-CG 3.35Å; D748-R750 IonicContact OD1-CZ 2.68Å; D748-R750 PolarHBondContact OD1-N 2.74Å; D748-R750 IonicContact OD1-NE 3.72Å; D748-R750 PolarHBondContact OD1-NE 3.13Å; D748-R750 IonicContact OD1-NH2 2.68Å; D748-R750 IonicContact OD2-CZ 2.9Å; D748-R750 IonicContact OD2-NE 3.54Å; D748-R750 PolarHBondContact OD2-NE 3.19Å; D748-R750 VanDerWaalsContact OD2-NE 3.15Å; D748-R750 IonicContact OD2-NH2 2.67Å; D748-R750 PolarHBondContact OD2-NH2 3.23Å
751	P	86.3	Confident	88.4	Confident	49 Å²	49	73.9 Å²	73.9	32%	0.318	35%	0.351	S	S	.	.	S	Bend	trans	-65.6	139.7	175.7	-21.1	34.6	0	0	0	112.7	D753 N754 R755	P751-D753 VanDerWaalsContact C-N 3.32Å; P751-D753 PolarHBondContact O-N 2.85Å; P751-N754 HydrophobicContact CB-CB 4.27Å; P751-N754 PolarHBondContact O-N 2.96Å; P751-R755 PolarHBondContact O-N 2.74Å
752	V	81.1	Confident	88.3	Confident	65 Å²	65	73 Å²	73	39%	0.394	35%	0.345	S	S	.	.	H	α-helix	trans	-59.7	-44.5	176.1	-177	0	0	0	0	110.5	E724 N754 R755 Q756	E724-V752 HydrophobicContact CG-CG1 4.46Å; V752-N754 VanDerWaalsContact C-N 3.31Å; V752-N754 PolarHBondContact O-N 2.71Å; V752-R755 PolarHBondContact O-N 2.78Å; V752-R755 VanDerWaalsContact O-N 3.12Å; V752-Q756 WeakPolarHBondContact O-CB 3.33Å; V752-Q756 PolarHBondContact O-N 2.62Å
753	D	85.6	Confident	88.1	Confident	129 Å²	129	70.5 Å²	70.5	69%	0.69	34%	0.34	S	S	*	.	H	α-helix	trans	-63.4	-35.4	-175.8	-52.5	-77.2	0	0	0	112.8	P751 Q756 S757	P751-D753 VanDerWaalsContact C-N 3.32Å; P751-D753 PolarHBondContact O-N 2.85Å; D753-Q756 PolarHBondContact O-N 3.24Å; D753-S757 WeakPolarHBondContact O-CB 3.45Å; D753-S757 PolarHBondContact O-N 3.28Å
754	N	88.4	Confident	88.1	Confident	57 Å²	57	74.5 Å²	74.5	31%	0.305	36%	0.357	S	S	.	.	H	α-helix	trans	-66.9	-43.1	175	-71.4	0.5	0	0	0	111.1	P746 D748 P751 V752 S757	P746-N754 HydrophobicContact CB-CB 4.17Å; P746-N754 HydrophobicContact CG-CB 4.32Å; D748-N754 WeakPolarHBondContact O-CB 3.49Å; D748-N754 PolarHBondContact O-ND2 3.27Å; P751-N754 HydrophobicContact CB-CB 4.27Å; P751-N754 PolarHBondContact O-N 2.96Å; V752-N754 VanDerWaalsContact C-N 3.31Å; V752-N754 PolarHBondContact O-N 2.71Å; N754-S757 WeakPolarHBondContact O-CB 3.41Å; N754-S757 PolarHBondContact O-N 3.25Å
755	R	87.6	Confident	88.1	Confident	31 Å²	31	66.7 Å²	66.7	12%	0.117	33%	0.329	C	S	.	.	H	α-helix	trans	-65	-41.7	175.1	-67.3	-175.9	-77.7	120	-3.1	111.6	L698 E724 M725 L749 P751 V752 S757 V758	L698-R755 HydrophobicContact CD1-CB 4.19Å; L698-R755 HydrophobicContact CD1-CG 3.85Å; E724-R755 IonicContact OE1-CZ 3.69Å; E724-R755 VanDerWaalsContact OE1-CZ 3.31Å; E724-R755 IonicContact OE1-NH1 3.43Å; E724-R755 PolarHBondContact OE1-NH1 3.05Å; E724-R755 IonicContact OE1-NH2 3.8Å; E724-R755 PolarHBondContact OE1-NH2 3.35Å; M725-R755 HydrophobicContact CB-CB 3.94Å; M725-R755 WeakPolarHBondContact CG-O 3.29Å; M725-R755 VanDerWaalsContact O-CD 3.29Å; M725-R755 WeakPolarHBondContact O-CD 3.14Å; M725-R755 PolarHBondContact O-NH1 3.2Å; L749-R755 HydrophobicContact CB-CG 4.03Å; L749-R755 HydrophobicContact CD2-CG 4.2Å; L749-R755 WeakPolarHBondContact O-CD 3.36Å; L749-R755 WeakPolarHBondContact O-CG 3.42Å; L749-R755 PolarHBondContact O-NE 3.13Å; L749-R755 VanDerWaalsContact O-NE 3.08Å; P751-R755 PolarHBondContact O-N 2.74Å; V752-R755 PolarHBondContact O-N 2.78Å; V752-R755 VanDerWaalsContact O-N 3.12Å; R755-S757 VanDerWaalsContact C-N 3.34Å; R755-S757 PolarHBondContact O-N 2.7Å; R755-V758 WeakPolarHBondContact O-CB 3.41Å; R755-V758 PolarHBondContact O-N 2.93Å
756	Q	86.1	Confident	88.1	Confident	41 Å²	41	69 Å²	69	19%	0.192	34%	0.338	C	S	.	.	H	α-helix	trans	-74.5	-22.5	179.4	-149.5	72.2	-4.9	0	0	113.3	V752 D753 V758 L759 K760	V752-Q756 WeakPolarHBondContact O-CB 3.33Å; V752-Q756 PolarHBondContact O-N 2.62Å; D753-Q756 PolarHBondContact O-N 3.24Å; Q756-V758 VanDerWaalsContact C-N 3.31Å; Q756-L759 PolarHBondContact O-N 2.99Å; Q756-K760 PolarHBondContact O-N 2.97Å
757	S	90.3	Very high	88.2	Confident	58 Å²	58	74.7 Å²	74.7	41%	0.406	36%	0.361	S	S	.	.	H	α-helix	trans	-61.2	-41.4	168.6	-166.6	0	0	0	0	111.1	D753 N754 R755 L759 K760 S761	D753-S757 WeakPolarHBondContact O-CB 3.45Å; D753-S757 PolarHBondContact O-N 3.28Å; N754-S757 WeakPolarHBondContact O-CB 3.41Å; N754-S757 PolarHBondContact O-N 3.25Å; R755-S757 VanDerWaalsContact C-N 3.34Å; R755-S757 PolarHBondContact O-N 2.7Å; S757-L759 VanDerWaalsContact C-N 3.35Å; S757-L759 PolarHBondContact O-N 3.32Å; S757-K760 WeakPolarHBondContact O-CB 3.44Å; S757-K760 PolarHBondContact O-N 3.42Å; S757-K760 VanDerWaalsContact O-N 3.16Å; S757-S761 PolarHBondContact O-N 3.45Å; S757-S761 PolarHBondContact O-OG 3.37Å
758	V	91.1	Very high	88.6	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-39.1	176.2	-178.6	0	0	0	0	111.8	V672 L698 P746 R755 Q756 K760 S761 I762	V672-V758 HydrophobicContact CB-CG1 4.41Å; V672-V758 HydrophobicContact CG1-CG1 3.6Å; L698-V758 HydrophobicContact CD2-CB 3.79Å; L698-V758 HydrophobicContact CD2-CG1 3.86Å; L698-V758 HydrophobicContact CD2-CG2 4.05Å; P746-V758 HydrophobicContact CG-CG2 4.4Å; R755-V758 WeakPolarHBondContact O-CB 3.41Å; R755-V758 PolarHBondContact O-N 2.93Å; Q756-V758 VanDerWaalsContact C-N 3.31Å; V758-K760 VanDerWaalsContact C-N 3.26Å; V758-K760 PolarHBondContact O-N 2.85Å; V758-S761 WeakPolarHBondContact O-CA 3.47Å; V758-S761 WeakPolarHBondContact O-CB 3.15Å; V758-S761 PolarHBondContact O-N 3Å; V758-I762 HydrophobicContact CG1-CD1 4.29Å; V758-I762 HydrophobicContact CG1-CG1 4.38Å; V758-I762 WeakPolarHBondContact O-CG1 3.38Å; V758-I762 PolarHBondContact O-N 3.13Å
759	L	90.2	Very high	88.8	Confident	16 Å²	16	75.4 Å²	75.4	8%	0.084	36%	0.356	C	S	.	.	H	α-helix	trans	-57.1	-40	175.1	-178.8	59	0	0	0	112.3	R700 M725 Q756 S757 S761 I762 Q763	R700-L759 HydrophobicContact CG-CD1 4.47Å; M725-L759 HydrophobicContact CG-CB 3.64Å; M725-L759 HydrophobicContact CG-CD2 4.44Å; M725-L759 HydrophobicContact CG-CG 4.44Å; M725-L759 HydrophobicContact SD-CB 3.94Å; M725-L759 HydrophobicContact SD-CD1 3.85Å; M725-L759 HydrophobicContact SD-CG 4.3Å; Q756-L759 PolarHBondContact O-N 2.99Å; S757-L759 VanDerWaalsContact C-N 3.35Å; S757-L759 PolarHBondContact O-N 3.32Å; L759-S761 VanDerWaalsContact C-N 3.32Å; L759-S761 PolarHBondContact O-N 2.91Å; L759-I762 PolarHBondContact O-N 3.24Å; L759-Q763 HydrophobicContact CD1-CG 4.41Å; L759-Q763 WeakPolarHBondContact O-CG 3.21Å; L759-Q763 PolarHBondContact O-N 2.59Å
760	K	90.3	Very high	88.8	Confident	141 Å²	141	79 Å²	79	61%	0.613	38%	0.381	S	S	*	.	H	α-helix	trans	-62.7	-40.5	175.5	-60.9	176.9	-177.9	177.3	0	111.1	Q756 S757 V758 Q763 E764	Q756-K760 PolarHBondContact O-N 2.97Å; S757-K760 WeakPolarHBondContact O-CB 3.44Å; S757-K760 PolarHBondContact O-N 3.42Å; S757-K760 VanDerWaalsContact O-N 3.16Å; V758-K760 VanDerWaalsContact C-N 3.26Å; V758-K760 PolarHBondContact O-N 2.85Å; K760-Q763 PolarHBondContact O-N 2.64Å; K760-E764 WeakPolarHBondContact O-CB 3.3Å; K760-E764 PolarHBondContact O-N 3.08Å
761	S	93.2	Very high	89	Confident	42 Å²	42	77.4 Å²	77.4	29%	0.294	39%	0.388	S	S	.	.	H	α-helix	trans	-64.7	-38.3	175.4	-54.7	0	0	0	0	112.9	S757 V758 L759 E764 V765	S757-S761 PolarHBondContact O-N 3.45Å; S757-S761 PolarHBondContact O-OG 3.37Å; V758-S761 WeakPolarHBondContact O-CA 3.47Å; V758-S761 WeakPolarHBondContact O-CB 3.15Å; V758-S761 PolarHBondContact O-N 3Å; L759-S761 VanDerWaalsContact C-N 3.32Å; L759-S761 PolarHBondContact O-N 2.91Å; S761-E764 PolarHBondContact O-N 2.94Å; S761-V765 WeakPolarHBondContact O-CG2 3.34Å; S761-V765 PolarHBondContact O-N 2.75Å; S761-V765 VanDerWaalsContact O-N 3.11Å
762	I	91.4	Very high	89	Confident	4 Å²	4	77.2 Å²	77.2	2%	0.021	40%	0.395	C	S	.	.	H	α-helix	trans	-64.2	-47.9	173.7	-61	177.7	0	0	0	110	L658 W670 M725 L743 V758 L759 E764 V765 Q766	L658-I762 HydrophobicContact CD2-CD1 4.17Å; L658-I762 HydrophobicContact CD2-CG1 3.94Å; L658-I762 HydrophobicContact CD2-CG2 4.31Å; W670-I762 HydrophobicContact CB-CG2 3.91Å; M725-I762 HydrophobicContact CE-CD1 3.62Å; L743-I762 HydrophobicContact CD1-CB 4.5Å; L743-I762 HydrophobicContact CD1-CG1 3.59Å; V758-I762 HydrophobicContact CG1-CD1 4.29Å; V758-I762 HydrophobicContact CG1-CG1 4.38Å; V758-I762 WeakPolarHBondContact O-CG1 3.38Å; V758-I762 PolarHBondContact O-N 3.13Å; L759-I762 PolarHBondContact O-N 3.24Å; I762-E764 VanDerWaalsContact C-N 3.29Å; I762-E764 PolarHBondContact O-N 3.31Å; I762-V765 PolarHBondContact O-N 3.36Å; I762-Q766 WeakPolarHBondContact O-CG 3.34Å; I762-Q766 PolarHBondContact O-N 3.38Å
763	Q	89.8	Confident	89.4	Confident	86 Å²	86	74.7 Å²	74.7	40%	0.402	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-36.7	176.9	-72.2	173	-16.4	0	0	112.5	L759 K760 Q766 K767	L759-Q763 HydrophobicContact CD1-CG 4.41Å; L759-Q763 WeakPolarHBondContact O-CG 3.21Å; L759-Q763 PolarHBondContact O-N 2.59Å; K760-Q763 PolarHBondContact O-N 2.64Å; Q763-Q766 PolarHBondContact O-N 2.69Å; Q763-K767 WeakPolarHBondContact O-CG 3.4Å; Q763-K767 PolarHBondContact O-N 2.74Å
764	E	91.6	Very high	89.7	Confident	110 Å²	110	70.7 Å²	70.7	51%	0.514	36%	0.361	S	S	.	.	H	α-helix	trans	-69.9	-35.4	177.4	-159.7	62.6	-159.3	0	0	112.4	K760 S761 I762 K767 R768	K760-E764 WeakPolarHBondContact O-CB 3.3Å; K760-E764 PolarHBondContact O-N 3.08Å; S761-E764 PolarHBondContact O-N 2.94Å; I762-E764 VanDerWaalsContact C-N 3.29Å; I762-E764 PolarHBondContact O-N 3.31Å; E764-K767 PolarHBondContact O-N 3.36Å; E764-K767 WeakPolarHBondContact OE2-CE 3.46Å; E764-K767 IonicContact OE2-NZ 2.73Å; E764-K767 PolarHBondContact OE2-NZ 3Å; E764-R768 WeakPolarHBondContact O-CB 3.43Å; E764-R768 PolarHBondContact O-N 2.85Å; E764-R768 VanDerWaalsContact O-N 3.07Å
765	V	91.9	Very high	90	Very high	17 Å²	17	72.6 Å²	72.6	10%	0.103	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-44.2	169	171.8	0	0	0	0	110.6	L658 V741 L743 S761 I762 K767 R768 F769 V773	L658-V765 HydrophobicContact CD1-CB 4.27Å; L658-V765 HydrophobicContact CD1-CG1 3.89Å; L658-V765 HydrophobicContact CD1-CG2 4.35Å; V741-V765 HydrophobicContact CG1-CG1 4.21Å; V741-V765 HydrophobicContact CG1-CG2 4.03Å; V741-V765 HydrophobicContact CG2-CG1 4.33Å; L743-V765 HydrophobicContact CD2-CG2 3.69Å; S761-V765 WeakPolarHBondContact O-CG2 3.34Å; S761-V765 PolarHBondContact O-N 2.75Å; S761-V765 VanDerWaalsContact O-N 3.11Å; I762-V765 PolarHBondContact O-N 3.36Å; V765-K767 VanDerWaalsContact C-N 3.34Å; V765-K767 PolarHBondContact O-N 3.06Å; V765-R768 PolarHBondContact O-N 3.38Å; V765-R768 VanDerWaalsContact O-N 3.11Å; V765-F769 HydrophobicContact CG1-CD2 3.9Å; V765-F769 HydrophobicContact CG1-CE2 4.32Å; V765-F769 WeakPolarHBondContact O-CD2 3.44Å; V765-F769 PolarHBondContact O-N 2.75Å; V765-V773 HydrophobicContact CG1-CG1 3.98Å; V765-V773 HydrophobicContact CG1-CG2 4.11Å
766	Q	89.9	Confident	90.1	Very high	89 Å²	89	71.8 Å²	71.8	42%	0.416	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-36.8	178	-67.8	177.3	-69.5	0	0	112.9	I762 Q763 F769 V773	I762-Q766 WeakPolarHBondContact O-CG 3.34Å; I762-Q766 PolarHBondContact O-N 3.38Å; Q763-Q766 PolarHBondContact O-N 2.69Å; Q766-F769 CarbonylContact O-C 3.5Å; Q766-V773 HydrophobicContact CG-CG2 4.39Å
767	K	91	Very high	90.3	Very high	142 Å²	142	73 Å²	73	62%	0.617	38%	0.376	S	S	*	.	H	α-helix	trans	-66.3	-36.6	171.8	-68.1	175.4	-158.3	162	0	112.9	Q763 E764 V765 F769	Q763-K767 WeakPolarHBondContact O-CG 3.4Å; Q763-K767 PolarHBondContact O-N 2.74Å; E764-K767 PolarHBondContact O-N 3.36Å; E764-K767 WeakPolarHBondContact OE2-CE 3.46Å; E764-K767 IonicContact OE2-NZ 2.73Å; E764-K767 PolarHBondContact OE2-NZ 3Å; V765-K767 VanDerWaalsContact C-N 3.34Å; V765-K767 PolarHBondContact O-N 3.06Å; K767-F769 VanDerWaalsContact C-N 3.33Å
768	R	92.3	Very high	90.3	Very high	201 Å²	201	70.9 Å²	70.9	76%	0.758	36%	0.361	S	S	*	.	H	α-helix	trans	-74.9	-24.6	-177.9	-174.9	171.8	-179.6	172.5	0.8	112.8	E764 V765	E764-R768 WeakPolarHBondContact O-CB 3.43Å; E764-R768 PolarHBondContact O-N 2.85Å; E764-R768 VanDerWaalsContact O-N 3.07Å; V765-R768 PolarHBondContact O-N 3.38Å; V765-R768 VanDerWaalsContact O-N 3.11Å
769	F	91.2	Very high	90.2	Very high	75 Å²	75	73.1 Å²	73.1	33%	0.329	37%	0.372	S	S	.	.			trans	-126.4	70.9	178	-60.2	-78.5	0	0	0	110.1	V765 Q766 K767 D771 G772 P774	V765-F769 HydrophobicContact CG1-CD2 3.9Å; V765-F769 HydrophobicContact CG1-CE2 4.32Å; V765-F769 WeakPolarHBondContact O-CD2 3.44Å; V765-F769 PolarHBondContact O-N 2.75Å; Q766-F769 CarbonylContact O-C 3.5Å; K767-F769 VanDerWaalsContact C-N 3.33Å; F769-D771 VanDerWaalsContact C-N 3.27Å; F769-D771 PolarHBondContact O-N 3.04Å; F769-G772 WeakPolarHBondContact CB-O 3.49Å; F769-G772 CarbonylContact O-C 3.6Å; F769-G772 PolarHBondContact O-N 3.43Å; F769-G772 VanDerWaalsContact O-N 3.12Å; F769-P774 HydrophobicContact CD1-CG 4.31Å; F769-P774 HydrophobicContact CE1-CG 4.1Å; F769-P774 HydrophobicContact CZ-CG 4.23Å
770	P	85.4	Confident	90.1	Very high	101 Å²	101	79.2 Å²	79.2	66%	0.656	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.7	-173.7	26.8	-34.8	0	0	0	112.9	G772	P770-G772 VanDerWaalsContact C-N 3.25Å; P770-G772 PolarHBondContact O-N 2.9Å
771	D	83.6	Confident	90.2	Very high	169 Å²	169	76.3 Å²	76.3	90%	0.904	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-9.5	178.8	-46.3	-71.4	0	0	0	113.2	F769	F769-D771 VanDerWaalsContact C-N 3.27Å; F769-D771 PolarHBondContact O-N 3.04Å
772	G	86.2	Confident	89.9	Confident	46 Å²	46	74.9 Å²	74.9	47%	0.474	39%	0.385	S	S	.	.			trans	138.1	141.4	179.1	0	0	0	0	0	113.3	F769 P770	F769-G772 WeakPolarHBondContact CB-O 3.49Å; F769-G772 CarbonylContact O-C 3.6Å; F769-G772 PolarHBondContact O-N 3.43Å; F769-G772 VanDerWaalsContact O-N 3.12Å; P770-G772 VanDerWaalsContact C-N 3.25Å; P770-G772 PolarHBondContact O-N 2.9Å
773	V	90.8	Very high	89.8	Confident	12 Å²	12	76.7 Å²	76.7	7%	0.073	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-67.5	127.3	175.9	-176.2	0	0	0	0	109.2	L658 W670 V741 V765 Q766 L775	L658-V773 HydrophobicContact CD1-CG1 4.4Å; W670-V773 HydrophobicContact CH2-CB 4.35Å; W670-V773 HydrophobicContact CZ2-CB 3.82Å; W670-V773 HydrophobicContact CZ2-CG1 4.44Å; W670-V773 HydrophobicContact CZ2-CG2 4.35Å; V741-V773 HydrophobicContact CG2-CG1 3.93Å; V765-V773 HydrophobicContact CG1-CG1 3.98Å; V765-V773 HydrophobicContact CG1-CG2 4.11Å; Q766-V773 HydrophobicContact CG-CG2 4.39Å; V773-L775 PolarHBondContact O-N 3.37Å
774	P	92.4	Very high	89.8	Confident	44 Å²	44	72.6 Å²	72.6	29%	0.286	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-64.3	120.9	-172.7	22.5	-33.1	0	0	0	112.6	S739 T740 V741 F769	S739-P774 WeakPolarHBondContact CA-O 3.43Å; S739-P774 VanDerWaalsContact CB-O 3.24Å; S739-P774 WeakPolarHBondContact CB-O 3.37Å; T740-P774 PolarHBondContact N-O 3.38Å; T740-P774 WeakPolarHBondContact OG1-CG 3.47Å; T740-P774 PolarHBondContact OG1-O 3.29Å; T740-P774 VanDerWaalsContact OG1-O 3.08Å; V741-P774 HydrophobicContact CG2-CG 4.03Å; F769-P774 HydrophobicContact CD1-CG 4.31Å; F769-P774 HydrophobicContact CE1-CG 4.1Å; F769-P774 HydrophobicContact CZ-CG 4.23Å
775	L	92.8	Very high	89.6	Confident	97 Å²	97	75.4 Å²	75.4	51%	0.508	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-73.8	162.2	178.2	-55.5	-170.6	0	0	0	111.5	W670 A737 T740 V773	W670-L775 HydrophobicContact CH2-CD2 3.67Å; W670-L775 HydrophobicContact CZ2-CD2 4.13Å; A737-L775 HydrophobicContact CB-CD2 3.92Å; T740-L775 WeakPolarHBondContact CG2-O 3.47Å; V773-L775 PolarHBondContact O-N 3.37Å
776	L	91.6	Very high	89.5	Confident	14 Å²	14	77.3 Å²	77.3	7%	0.073	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-78.4	135.7	161.8	-67.4	168.9	0	0	0	109	F652 I738 T740 D781 M782	F652-L776 HydrophobicContact CB-CD1 3.78Å; F652-L776 HydrophobicContact CD1-CD1 3.56Å; F652-L776 HydrophobicContact CD1-CD2 4.31Å; F652-L776 HydrophobicContact CE1-CD1 4.34Å; F652-L776 HydrophobicContact CG-CD1 3.69Å; I738-L776 HydrophobicContact CB-CD1 4.11Å; I738-L776 HydrophobicContact CG2-CD1 3.53Å; I738-L776 HydrophobicContact CG2-CG 4.48Å; I738-L776 PolarHBondContact O-N 2.55Å; T740-L776 HydrophobicContact CG2-CD2 3.76Å; T740-L776 HydrophobicContact CG2-CG 4.48Å; L776-D781 WeakPolarHBondContact CA-OD2 3.36Å; L776-D781 HydrophobicContact CB-CB 4.04Å; L776-D781 HydrophobicContact CD2-CB 3.85Å; L776-M782 HydrophobicContact CB-CG 3.99Å; L776-M782 HydrophobicContact CB-SD 4.23Å; L776-M782 HydrophobicContact CD1-CG 4.34Å
777	D	90.3	Very high	89.4	Confident	67 Å²	67	79.8 Å²	79.8	36%	0.358	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-73.2	132.7	172.7	-172.5	-92.3	0	0	0	111.8	I779 D780 D781 M782	D777-I779 VanDerWaalsContact C-N 3.28Å; D777-I779 PolarHBondContact O-N 3.28Å; D777-I779 WeakPolarHBondContact OD1-CA 3.32Å; D777-I779 PolarHBondContact OD1-N 3.43Å; D777-D780 HydrophobicContact CB-CB 4.19Å; D777-D780 PolarHBondContact OD1-N 3.18Å; D777-D781 PolarHBondContact N-OD2 3.04Å; D777-D781 WeakPolarHBondContact O-CB 3.49Å; D777-D781 PolarHBondContact O-N 2.83Å; D777-M782 PolarHBondContact O-N 3.44Å
778	P	89.3	Confident	89.4	Confident	13 Å²	13	74.1 Å²	74.1	8%	0.084	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.1	179.4	-26.6	36.8	0	0	0	115	I639 I643 I784 L789	I639-P778 HydrophobicContact CG2-CG 4.13Å; I643-P778 HydrophobicContact CD1-CG 3.98Å; I643-P778 HydrophobicContact CG1-CB 4.42Å; I643-P778 HydrophobicContact CG1-CG 4.01Å; P778-I784 HydrophobicContact CB-CD1 4.29Å; P778-I784 WeakPolarHBondContact O-CB 3.33Å; P778-I784 WeakPolarHBondContact O-CG1 3.23Å; P778-I784 PolarHBondContact O-N 3.4Å; P778-L789 HydrophobicContact CB-CD2 3.78Å
779	I	88.6	Confident	89.2	Confident	49 Å²	49	64.6 Å²	64.6	25%	0.251	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-53.8	-178.9	-62.3	174.8	0	0	0	110.3	D777 G783 K790 I793	D777-I779 VanDerWaalsContact C-N 3.28Å; D777-I779 PolarHBondContact O-N 3.28Å; D777-I779 WeakPolarHBondContact OD1-CA 3.32Å; D777-I779 PolarHBondContact OD1-N 3.43Å; I779-G783 WeakPolarHBondContact O-CA 3.16Å; I779-G783 PolarHBondContact O-N 3.46Å; I779-K790 HydrophobicContact CD1-CG 3.89Å; I779-I793 HydrophobicContact CD1-CD1 3.69Å; I779-I793 HydrophobicContact CG1-CD1 4.07Å
780	D	89.1	Confident	89.1	Confident	145 Å²	145	65 Å²	65	78%	0.775	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-40.5	-167.2	-74.4	-9.1	0	0	0	113	D777	D777-D780 HydrophobicContact CB-CB 4.19Å; D777-D780 PolarHBondContact OD1-N 3.18Å
781	D	91.3	Very high	89.4	Confident	79 Å²	79	65.8 Å²	65.8	42%	0.422	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-48.1	173.4	-75	-53.4	0	0	0	111.9	F652 L776 D777	F652-D781 VanDerWaalsContact CZ-O 3.26Å; F652-D781 WeakPolarHBondContact CZ-O 3.25Å; L776-D781 WeakPolarHBondContact CA-OD2 3.36Å; L776-D781 HydrophobicContact CB-CB 4.04Å; L776-D781 HydrophobicContact CD2-CB 3.85Å; D777-D781 PolarHBondContact N-OD2 3.04Å; D777-D781 WeakPolarHBondContact O-CB 3.49Å; D777-D781 PolarHBondContact O-N 2.83Å
782	M	88.4	Confident	89.8	Confident	13 Å²	13	58.1 Å²	58.1	6%	0.064	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-10.9	-171.4	-63.2	-172.3	66.6	0	0	114.4	I643 Y648 F652 I738 L776 D777 I784	I643-M782 HydrophobicContact CG2-CE 4.14Å; I643-M782 HydrophobicContact CG2-SD 4.03Å; Y648-M782 VanDerWaalsContact O-CE 3.27Å; Y648-M782 WeakPolarHBondContact O-CE 3.38Å; F652-M782 HydrophobicContact CD2-CE 4.11Å; F652-M782 HydrophobicContact CD2-CG 4.2Å; F652-M782 HydrophobicContact CE2-CB 4.09Å; F652-M782 HydrophobicContact CE2-CE 4.42Å; F652-M782 HydrophobicContact CE2-CG 3.93Å; F652-M782 HydrophobicContact CZ-CB 4.39Å; F652-M782 HydrophobicContact CZ-CG 4.21Å; I738-M782 HydrophobicContact CD1-CE 4.41Å; L776-M782 HydrophobicContact CB-CG 3.99Å; L776-M782 HydrophobicContact CB-SD 4.23Å; L776-M782 HydrophobicContact CD1-CG 4.34Å; D777-M782 PolarHBondContact O-N 3.44Å; M782-I784 VanDerWaalsContact C-N 3.33Å; M782-I784 HydrophobicContact CB-CD1 4.31Å; M782-I784 HydrophobicContact CB-CG1 4.11Å; M782-I784 PolarHBondContact O-N 3.17Å
783	G	88.2	Confident	90	Very high	42 Å²	42	57.4 Å²	57.4	43%	0.433	31%	0.305	S	S	.	.			trans	68.2	24.6	174.2	0	0	0	0	0	114.9	I779 Q785	I779-G783 WeakPolarHBondContact O-CA 3.16Å; I779-G783 PolarHBondContact O-N 3.46Å; G783-Q785 PolarHBondContact O-N 3.21Å
784	I	89.8	Confident	90	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.329	C	S	.	.			trans	-76.6	92.8	-176.6	-52.4	176.4	0	0	0	110.2	Y648 P778 M782 D786 L789	Y648-I784 HydrophobicContact CD1-CB 4.45Å; Y648-I784 HydrophobicContact CD1-CD1 4.43Å; Y648-I784 HydrophobicContact CD1-CG1 3.7Å; Y648-I784 HydrophobicContact CD1-CG2 4.46Å; Y648-I784 HydrophobicContact CD2-CD1 4.01Å; Y648-I784 HydrophobicContact CD2-CG1 4.07Å; Y648-I784 HydrophobicContact CD2-CG2 4.23Å; Y648-I784 HydrophobicContact CE1-CB 4.46Å; Y648-I784 HydrophobicContact CE1-CG1 4.18Å; Y648-I784 HydrophobicContact CE1-CG2 4.15Å; Y648-I784 HydrophobicContact CE2-CG2 3.96Å; Y648-I784 HydrophobicContact CG-CD1 3.85Å; Y648-I784 HydrophobicContact CG-CG1 3.63Å; P778-I784 HydrophobicContact CB-CD1 4.29Å; P778-I784 WeakPolarHBondContact O-CB 3.33Å; P778-I784 WeakPolarHBondContact O-CG1 3.23Å; P778-I784 PolarHBondContact O-N 3.4Å; M782-I784 VanDerWaalsContact C-N 3.33Å; M782-I784 HydrophobicContact CB-CD1 4.31Å; M782-I784 HydrophobicContact CB-CG1 4.11Å; M782-I784 PolarHBondContact O-N 3.17Å; I784-D786 HydrophobicContact CG2-CB 3.88Å; I784-D786 PolarHBondContact O-N 3.12Å; I784-D786 VanDerWaalsContact O-N 3.12Å; I784-L789 HydrophobicContact CB-CD2 3.66Å; I784-L789 HydrophobicContact CD1-CD2 4.13Å; I784-L789 HydrophobicContact CG1-CD2 4.48Å; I784-L789 HydrophobicContact CG2-CD2 3.48Å; I784-L789 VanDerWaalsContact CG2-CD2 3.48Å
785	Q	87.8	Confident	90	Very high	169 Å²	169	65.4 Å²	65.4	79%	0.79	34%	0.336	S	S	*	.			trans	-76.8	13.4	-179.8	-62.3	-177.5	-1.8	0	0	114.8	G783 Q787	G783-Q785 PolarHBondContact O-N 3.21Å; Q785-Q787 PolarHBondContact O-N 3.4Å
786	D	89.4	Confident	89.9	Confident	57 Å²	57	61.9 Å²	61.9	31%	0.305	32%	0.319	S	S	.	.			trans	-69	126.3	-176.1	-165.7	-55	0	0	0	111.9	Y642 I784 G788 L789 K790	Y642-D786 HydrophobicContact CD1-CB 4.42Å; Y642-D786 HydrophobicContact CE1-CB 4.16Å; Y642-D786 WeakPolarHBondContact CE1-OD2 3.32Å; I784-D786 HydrophobicContact CG2-CB 3.88Å; I784-D786 PolarHBondContact O-N 3.12Å; I784-D786 VanDerWaalsContact O-N 3.12Å; D786-G788 VanDerWaalsContact C-N 3.27Å; D786-G788 PolarHBondContact O-N 3.5Å; D786-G788 WeakPolarHBondContact OD1-CA 3.19Å; D786-G788 PolarHBondContact OD1-N 2.83Å; D786-L789 HydrophobicContact CB-CB 4.24Å; D786-L789 PolarHBondContact O-N 3.32Å; D786-K790 PolarHBondContact O-N 3.44Å; D786-K790 VanDerWaalsContact O-N 3.16Å
787	Q	88.6	Confident	89.9	Confident	140 Å²	140	66.8 Å²	66.8	65%	0.654	34%	0.341	S	S	*	.	H	α-helix	trans	-68.7	-23.9	179.4	-70.2	-163.7	10.3	0	0	113.6	Q785 K791	Q785-Q787 PolarHBondContact O-N 3.4Å; Q787-K791 WeakPolarHBondContact O-CD 3.37Å; Q787-K791 VanDerWaalsContact O-CG 3.27Å; Q787-K791 WeakPolarHBondContact O-CG 3.2Å; Q787-K791 PolarHBondContact O-N 2.91Å
788	G	89.8	Confident	90	Very high	24 Å²	24	66.1 Å²	66.1	25%	0.247	35%	0.345	C	S	.	.	H	α-helix	trans	-64.7	-54.4	172.2	0	0	0	0	0	110.3	D786 K790 K791 V792	D786-G788 VanDerWaalsContact C-N 3.27Å; D786-G788 PolarHBondContact O-N 3.5Å; D786-G788 WeakPolarHBondContact OD1-CA 3.19Å; D786-G788 PolarHBondContact OD1-N 2.83Å; G788-K790 VanDerWaalsContact C-N 3.33Å; G788-K790 PolarHBondContact O-N 2.61Å; G788-K791 CarbonylContact O-C 3.58Å; G788-K791 WeakPolarHBondContact O-CA 3.43Å; G788-K791 WeakPolarHBondContact O-CB 3.39Å; G788-K791 PolarHBondContact O-N 3.03Å; G788-V792 WeakPolarHBondContact O-CG2 2.98Å; G788-V792 PolarHBondContact O-N 2.66Å
789	L	89.5	Confident	90.1	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-55.7	-45.2	177	176.6	61	0	0	0	112.3	I639 Y642 P778 I784 D786 K791 V792 I793	I639-L789 HydrophobicContact CB-CD1 4.44Å; I639-L789 HydrophobicContact CG1-CD1 4.01Å; I639-L789 HydrophobicContact CG2-CD1 4.27Å; Y642-L789 HydrophobicContact CD1-CB 4.07Å; Y642-L789 HydrophobicContact CD2-CB 3.98Å; Y642-L789 HydrophobicContact CD2-CD1 3.92Å; Y642-L789 HydrophobicContact CD2-CG 4.48Å; Y642-L789 HydrophobicContact CE1-CB 4.27Å; Y642-L789 HydrophobicContact CE2-CB 4.2Å; Y642-L789 HydrophobicContact CG-CB 3.92Å; Y642-L789 HydrophobicContact CG-CD1 4.11Å; Y642-L789 HydrophobicContact CG-CD2 4.45Å; Y642-L789 HydrophobicContact CG-CG 4.38Å; P778-L789 HydrophobicContact CB-CD2 3.78Å; I784-L789 HydrophobicContact CB-CD2 3.66Å; I784-L789 HydrophobicContact CD1-CD2 4.13Å; I784-L789 HydrophobicContact CG1-CD2 4.48Å; I784-L789 HydrophobicContact CG2-CD2 3.48Å; I784-L789 VanDerWaalsContact CG2-CD2 3.48Å; D786-L789 HydrophobicContact CB-CB 4.24Å; D786-L789 PolarHBondContact O-N 3.32Å; L789-K791 VanDerWaalsContact C-N 3.27Å; L789-K791 PolarHBondContact O-N 3.2Å; L789-V792 WeakPolarHBondContact O-CA 3.43Å; L789-V792 WeakPolarHBondContact O-CB 3.36Å; L789-V792 PolarHBondContact O-N 3.23Å; L789-I793 HydrophobicContact CD1-CD1 3.91Å; L789-I793 HydrophobicContact CD1-CG1 4.16Å; L789-I793 HydrophobicContact CG-CD1 3.9Å; L789-I793 PolarHBondContact O-N 3.18Å
790	K	89.3	Confident	90.3	Very high	85 Å²	85	69 Å²	69	37%	0.37	36%	0.355	S	S	.	.	H	α-helix	trans	-59	-37.2	176.7	-70.4	-175.6	176.4	-169.6	0	112.7	I779 D786 G788 Q794	I779-K790 HydrophobicContact CD1-CG 3.89Å; D786-K790 PolarHBondContact O-N 3.44Å; D786-K790 VanDerWaalsContact O-N 3.16Å; G788-K790 VanDerWaalsContact C-N 3.33Å; G788-K790 PolarHBondContact O-N 2.61Å; K790-Q794 WeakPolarHBondContact O-CB 3.36Å; K790-Q794 VanDerWaalsContact O-CG 3.26Å; K790-Q794 WeakPolarHBondContact O-CG 3.45Å; K790-Q794 PolarHBondContact O-N 3.45Å
791	K	91.6	Very high	90.4	Very high	117 Å²	117	68.1 Å²	68.1	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-72.7	-25.9	173.2	-69.7	166.6	-173.7	170.7	0	113.2	Q787 G788 L789 K795	Q787-K791 WeakPolarHBondContact O-CD 3.37Å; Q787-K791 VanDerWaalsContact O-CG 3.27Å; Q787-K791 WeakPolarHBondContact O-CG 3.2Å; Q787-K791 PolarHBondContact O-N 2.91Å; G788-K791 CarbonylContact O-C 3.58Å; G788-K791 WeakPolarHBondContact O-CA 3.43Å; G788-K791 WeakPolarHBondContact O-CB 3.39Å; G788-K791 PolarHBondContact O-N 3.03Å; L789-K791 VanDerWaalsContact C-N 3.27Å; L789-K791 PolarHBondContact O-N 3.2Å; K791-K795 WeakPolarHBondContact O-CD 3.5Å; K791-K795 VanDerWaalsContact O-CG 3.23Å; K791-K795 WeakPolarHBondContact O-CG 3.47Å; K791-K795 PolarHBondContact O-N 2.85Å
792	V	91.4	Very high	90.4	Very high	8 Å²	8	71.1 Å²	71.1	5%	0.048	35%	0.352	C	S	.	.	H	α-helix	trans	-73	-47.3	172.4	-178.7	0	0	0	0	110.1	L635 E638 I639 G788 L789 Q794 K795 V796	L635-V792 HydrophobicContact CB-CG1 4.21Å; L635-V792 HydrophobicContact CD2-CG1 3.95Å; E638-V792 HydrophobicContact CB-CG1 4Å; E638-V792 HydrophobicContact CB-CG2 4.41Å; I639-V792 HydrophobicContact CD1-CG1 4.18Å; I639-V792 HydrophobicContact CG1-CB 4.41Å; I639-V792 HydrophobicContact CG1-CG1 3.63Å; G788-V792 WeakPolarHBondContact O-CG2 2.98Å; G788-V792 PolarHBondContact O-N 2.66Å; L789-V792 WeakPolarHBondContact O-CA 3.43Å; L789-V792 WeakPolarHBondContact O-CB 3.36Å; L789-V792 PolarHBondContact O-N 3.23Å; V792-Q794 PolarHBondContact O-N 2.94Å; V792-K795 WeakPolarHBondContact O-CB 3.49Å; V792-K795 PolarHBondContact O-N 3.19Å; V792-V796 PolarHBondContact O-N 3.02Å
793	I	90.2	Very high	90.6	Very high	31 Å²	31	71.6 Å²	71.6	16%	0.159	35%	0.354	C	S	.	.	H	α-helix	trans	-59.5	-47.3	177.4	-68.9	166.6	0	0	0	110.9	I639 I779 L789 K795 V796 E797	I639-I793 HydrophobicContact CD1-CG1 3.91Å; I639-I793 HydrophobicContact CG1-CG1 4.46Å; I779-I793 HydrophobicContact CD1-CD1 3.69Å; I779-I793 HydrophobicContact CG1-CD1 4.07Å; L789-I793 HydrophobicContact CD1-CD1 3.91Å; L789-I793 HydrophobicContact CD1-CG1 4.16Å; L789-I793 HydrophobicContact CG-CD1 3.9Å; L789-I793 PolarHBondContact O-N 3.18Å; I793-K795 PolarHBondContact O-N 3.36Å; I793-V796 WeakPolarHBondContact O-CA 3.44Å; I793-V796 WeakPolarHBondContact O-CB 3.46Å; I793-V796 PolarHBondContact O-N 2.86Å; I793-E797 HydrophobicContact CG2-CG 4.41Å; I793-E797 WeakPolarHBondContact O-CG 3.37Å; I793-E797 PolarHBondContact O-N 3.29Å
794	Q	90.8	Very high	90.7	Very high	122 Å²	122	75.3 Å²	75.3	57%	0.57	36%	0.356	S	S	*	.	H	α-helix	trans	-58.6	-31.1	174.4	-74.5	172.4	-14.6	0	0	113.9	K790 V792 A798	K790-Q794 WeakPolarHBondContact O-CB 3.36Å; K790-Q794 VanDerWaalsContact O-CG 3.26Å; K790-Q794 WeakPolarHBondContact O-CG 3.45Å; K790-Q794 PolarHBondContact O-N 3.45Å; V792-Q794 PolarHBondContact O-N 2.94Å; Q794-A798 VanDerWaalsContact O-CB 3.29Å; Q794-A798 WeakPolarHBondContact O-CB 3.42Å; Q794-A798 PolarHBondContact O-N 2.89Å; Q794-A798 VanDerWaalsContact O-N 3.16Å
795	K	92.3	Very high	90.7	Very high	102 Å²	102	78.9 Å²	78.9	44%	0.443	38%	0.381	S	S	.	.	H	α-helix	trans	-72.7	-40.7	171.7	-71.1	165.7	-175.3	175.4	0	111.4	L635 K791 V792 I793 A798 F799	L635-K795 HydrophobicContact CD1-CB 3.79Å; L635-K795 HydrophobicContact CD2-CB 4.15Å; L635-K795 HydrophobicContact CD2-CD 3.77Å; K791-K795 WeakPolarHBondContact O-CD 3.5Å; K791-K795 VanDerWaalsContact O-CG 3.23Å; K791-K795 WeakPolarHBondContact O-CG 3.47Å; K791-K795 PolarHBondContact O-N 2.85Å; V792-K795 WeakPolarHBondContact O-CB 3.49Å; V792-K795 PolarHBondContact O-N 3.19Å; I793-K795 PolarHBondContact O-N 3.36Å; K795-A798 PolarHBondContact O-N 3.41Å; K795-F799 HydrophobicContact CB-CD2 4.48Å; K795-F799 WeakPolarHBondContact O-CB 3.37Å; K795-F799 VanDerWaalsContact O-CD2 3.27Å; K795-F799 WeakPolarHBondContact O-CD2 3.47Å; K795-F799 PolarHBondContact O-N 2.82Å
796	V	91.9	Very high	90.8	Very high	23 Å²	23	71.7 Å²	71.7	14%	0.139	35%	0.347	C	S	.	.	H	α-helix	trans	-59.5	-53.6	176.3	172.4	0	0	0	0	109.5	L632 L635 I639 V792 I793 A798 F799 E800	L632-V796 HydrophobicContact CD2-CB 4.46Å; L632-V796 HydrophobicContact CD2-CG1 4.03Å; L635-V796 HydrophobicContact CB-CG2 3.57Å; L635-V796 HydrophobicContact CD1-CG2 4.19Å; L635-V796 HydrophobicContact CG-CG2 4.46Å; I639-V796 HydrophobicContact CD1-CG2 3.96Å; V792-V796 PolarHBondContact O-N 3.02Å; I793-V796 WeakPolarHBondContact O-CA 3.44Å; I793-V796 WeakPolarHBondContact O-CB 3.46Å; I793-V796 PolarHBondContact O-N 2.86Å; V796-A798 VanDerWaalsContact C-N 3.3Å; V796-A798 PolarHBondContact O-N 2.81Å; V796-F799 CarbonylContact O-C 3.6Å; V796-F799 PolarHBondContact O-N 3.04Å; V796-F799 VanDerWaalsContact O-N 3.09Å; V796-E800 HydrophobicContact CG1-CG 4.24Å; V796-E800 WeakPolarHBondContact O-CB 3.26Å; V796-E800 WeakPolarHBondContact O-CG 3.45Å; V796-E800 PolarHBondContact O-N 3.4Å
797	E	90.9	Very high	90.6	Very high	117 Å²	117	74 Å²	74	55%	0.547	37%	0.365	S	S	.	.	H	α-helix	trans	-51.5	-46.7	174.7	-67.2	169.2	167.6	0	0	112.1	I793 E800 H801	I793-E797 HydrophobicContact CG2-CG 4.41Å; I793-E797 WeakPolarHBondContact O-CG 3.37Å; I793-E797 PolarHBondContact O-N 3.29Å; E797-E800 PolarHBondContact O-N 3.05Å; E797-H801 WeakPolarHBondContact O-CB 3.49Å; E797-H801 PolarHBondContact O-N 3.43Å
798	A	92	Very high	90.5	Very high	52 Å²	52	68 Å²	68	43%	0.43	34%	0.338	S	S	.	.	H	α-helix	trans	-68.4	-36.3	179.2	0	0	0	0	0	113.4	Q794 K795 V796 R802	Q794-A798 VanDerWaalsContact O-CB 3.29Å; Q794-A798 WeakPolarHBondContact O-CB 3.42Å; Q794-A798 PolarHBondContact O-N 2.89Å; Q794-A798 VanDerWaalsContact O-N 3.16Å; K795-A798 PolarHBondContact O-N 3.41Å; V796-A798 VanDerWaalsContact C-N 3.3Å; V796-A798 PolarHBondContact O-N 2.81Å; A798-R802 WeakPolarHBondContact O-CB 3.43Å; A798-R802 WeakPolarHBondContact O-CG 3.22Å; A798-R802 PolarHBondContact O-N 3.08Å; A798-R802 VanDerWaalsContact O-N 3.13Å
799	F	92.3	Very high	90.4	Very high	48 Å²	48	69.3 Å²	69.3	21%	0.211	34%	0.337	C	S	.	.	H	α-helix	trans	-75.9	-34.5	175.6	-86.7	-68.8	0	0	0	112.3	I628 Q631 L632 L635 K795 V796 R802 M803	I628-F799 HydrophobicContact CG1-CD1 4.26Å; I628-F799 HydrophobicContact CG2-CD1 4.22Å; I628-F799 WeakPolarHBondContact CG2-O 3.09Å; Q631-F799 HydrophobicContact CB-CE1 4.26Å; Q631-F799 HydrophobicContact CB-CE2 4.33Å; Q631-F799 HydrophobicContact CB-CZ 4.13Å; Q631-F799 HydrophobicContact CG-CZ 4.39Å; L632-F799 HydrophobicContact CD1-CB 4.44Å; L632-F799 HydrophobicContact CD2-CB 3.54Å; L632-F799 HydrophobicContact CG-CB 3.83Å; L635-F799 HydrophobicContact CD1-CD2 3.66Å; L635-F799 HydrophobicContact CD1-CE2 4.1Å; K795-F799 HydrophobicContact CB-CD2 4.48Å; K795-F799 WeakPolarHBondContact O-CB 3.37Å; K795-F799 VanDerWaalsContact O-CD2 3.27Å; K795-F799 WeakPolarHBondContact O-CD2 3.47Å; K795-F799 PolarHBondContact O-N 2.82Å; V796-F799 CarbonylContact O-C 3.6Å; V796-F799 PolarHBondContact O-N 3.04Å; V796-F799 VanDerWaalsContact O-N 3.09Å; F799-R802 CarbonylContact O-C 3.55Å; F799-R802 PolarHBondContact O-N 3.37Å; F799-M803 WeakPolarHBondContact O-CB 3.43Å; F799-M803 PolarHBondContact O-N 2.81Å
800	E	91.2	Very high	90.2	Very high	74 Å²	74	75.4 Å²	75.4	35%	0.346	37%	0.37	S	S	.	.	H	α-helix	trans	-65.1	-49	171.8	-79	-163.8	-168	0	0	111.1	L632 V796 E797 R802 M803 Y804	L632-E800 HydrophobicContact CD1-CG 4.17Å; L632-E800 HydrophobicContact CD2-CG 3.79Å; V796-E800 HydrophobicContact CG1-CG 4.24Å; V796-E800 WeakPolarHBondContact O-CB 3.26Å; V796-E800 WeakPolarHBondContact O-CG 3.45Å; V796-E800 PolarHBondContact O-N 3.4Å; E797-E800 PolarHBondContact O-N 3.05Å; E800-R802 PolarHBondContact O-N 3.32Å; E800-M803 CarbonylContact O-C 3.57Å; E800-M803 WeakPolarHBondContact O-CA 3.27Å; E800-M803 VanDerWaalsContact O-CB 3.3Å; E800-M803 WeakPolarHBondContact O-CB 3.17Å; E800-M803 PolarHBondContact O-N 3.44Å; E800-Y804 HydrophobicContact CB-CD2 4.26Å; E800-Y804 HydrophobicContact CB-CE2 3.81Å; E800-Y804 HydrophobicContact CG-CE2 4.42Å; E800-Y804 WeakPolarHBondContact O-CD2 3.46Å; E800-Y804 PolarHBondContact O-N 2.98Å
801	H	92	Very high	90	Very high	127 Å²	127	74.3 Å²	74.3	59%	0.588	37%	0.368	S	S	*	.	H	α-helix	trans	-54.6	-42.3	173.2	-177.8	-75	0	0	0	111.3	E797 M803 S805	E797-H801 WeakPolarHBondContact O-CB 3.49Å; E797-H801 PolarHBondContact O-N 3.43Å; H801-M803 VanDerWaalsContact C-N 3.35Å; H801-S805 PolarHBondContact CE1-OG 3.22Å; H801-S805 PolarHBondContact ND1-OG 3.3Å; H801-S805 WeakPolarHBondContact O-CB 3.37Å; H801-S805 PolarHBondContact O-N 3.39Å; H801-S805 PolarHBondContact O-OG 2.81Å
802	R	90.9	Very high	89.7	Confident	143 Å²	143	74.8 Å²	74.8	54%	0.54	38%	0.383	S	S	.	.	H	α-helix	trans	-69.5	-27.8	174.8	-72.4	176.5	75.4	-171.6	5.6	113.6	I628 A798 F799 E800 H806	I628-R802 HydrophobicContact CD1-CB 4.34Å; A798-R802 WeakPolarHBondContact O-CB 3.43Å; A798-R802 WeakPolarHBondContact O-CG 3.22Å; A798-R802 PolarHBondContact O-N 3.08Å; A798-R802 VanDerWaalsContact O-N 3.13Å; F799-R802 CarbonylContact O-C 3.55Å; F799-R802 PolarHBondContact O-N 3.37Å; E800-R802 PolarHBondContact O-N 3.32Å; R802-H806 WeakPolarHBondContact O-CB 3.41Å; R802-H806 PolarHBondContact O-N 2.98Å
803	M	91.9	Very high	89.4	Confident	22 Å²	22	78.9 Å²	78.9	11%	0.108	41%	0.405	C	S	.	.	H	α-helix	trans	-70.4	-53.6	173.3	-172.7	179.5	62	0	0	110.5	Y625 I628 R629 L632 F799 E800 H801 S805 H806 H809	Y625-M803 HydrophobicContact CD2-CG 4.49Å; Y625-M803 HydrophobicContact CE2-CG 3.54Å; I628-M803 HydrophobicContact CG2-CB 3.8Å; I628-M803 HydrophobicContact CG2-CG 4.36Å; R629-M803 HydrophobicContact CG-SD 3.89Å; L632-M803 HydrophobicContact CD1-CB 4.38Å; L632-M803 HydrophobicContact CD1-CE 4.21Å; L632-M803 HydrophobicContact CD1-SD 3.84Å; F799-M803 WeakPolarHBondContact O-CB 3.43Å; F799-M803 PolarHBondContact O-N 2.81Å; E800-M803 CarbonylContact O-C 3.57Å; E800-M803 WeakPolarHBondContact O-CA 3.27Å; E800-M803 VanDerWaalsContact O-CB 3.3Å; E800-M803 WeakPolarHBondContact O-CB 3.17Å; E800-M803 PolarHBondContact O-N 3.44Å; H801-M803 VanDerWaalsContact C-N 3.35Å; M803-S805 VanDerWaalsContact C-N 3.3Å; M803-S805 PolarHBondContact O-N 3.07Å; M803-H806 VanDerWaalsContact O-CB 3.26Å; M803-H806 WeakPolarHBondContact O-CB 3.4Å; M803-H806 PolarHBondContact O-N 3.46Å; M803-H809 WeakPolarHBondContact O-CB 3.31Å
804	Y	90.6	Very high	89.2	Confident	120 Å²	120	78.6 Å²	78.6	47%	0.471	40%	0.404	S	S	.	.	H	α-helix	trans	-64	-33.8	179	-59.7	-55.6	0	0	0	112.5	E800 H806 H809	E800-Y804 HydrophobicContact CB-CD2 4.26Å; E800-Y804 HydrophobicContact CB-CE2 3.81Å; E800-Y804 HydrophobicContact CG-CE2 4.42Å; E800-Y804 WeakPolarHBondContact O-CD2 3.46Å; E800-Y804 PolarHBondContact O-N 2.98Å; Y804-H806 VanDerWaalsContact C-N 3.26Å; Y804-H806 PolarHBondContact O-N 3Å; Y804-H809 AromaticContact CD1-CD2 3.76Å; Y804-H809 AromaticContact CD1-CE1 3.99Å; Y804-H809 AromaticContact CD1-NE2 3.35Å; Y804-H809 WeakPolarHBondContact CD1-NE2 3.49Å; Y804-H809 AromaticContact CE1-NE2 3.68Å
805	S	90.1	Very high	89	Confident	75 Å²	75	78.3 Å²	78.3	52%	0.524	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.4	173.8	-58.2	0	0	0	0	113.9	H801 M803	H801-S805 PolarHBondContact CE1-OG 3.22Å; H801-S805 PolarHBondContact ND1-OG 3.3Å; H801-S805 WeakPolarHBondContact O-CB 3.37Å; H801-S805 PolarHBondContact O-N 3.39Å; H801-S805 PolarHBondContact O-OG 2.81Å; M803-S805 VanDerWaalsContact C-N 3.3Å; M803-S805 PolarHBondContact O-N 3.07Å
806	H	90.3	Very high	88.7	Confident	19 Å²	19	78 Å²	78	9%	0.088	41%	0.409	C	S	.	.	S	Bend	trans	-78.7	130.8	-176.8	-166.3	-100.8	0	0	0	110.4	N621 Y625 R802 M803 Y804 L808 H809	N621-H806 PolarHBondContact O-CE1 3.15Å; N621-H806 PolarHBondContact O-NE2 3.23Å; Y625-H806 HydrophobicContact CD2-CB 3.82Å; Y625-H806 AromaticContact CD2-CG 3.73Å; Y625-H806 AromaticContact CD2-ND1 3.41Å; Y625-H806 WeakPolarHBondContact CD2-ND1 3.31Å; Y625-H806 HydrophobicContact CE2-CB 4.25Å; Y625-H806 AromaticContact CG-ND1 3.85Å; R802-H806 WeakPolarHBondContact O-CB 3.41Å; R802-H806 PolarHBondContact O-N 2.98Å; M803-H806 VanDerWaalsContact O-CB 3.26Å; M803-H806 WeakPolarHBondContact O-CB 3.4Å; M803-H806 PolarHBondContact O-N 3.46Å; Y804-H806 VanDerWaalsContact C-N 3.26Å; Y804-H806 PolarHBondContact O-N 3Å; H806-L808 WeakPolarHBondContact ND1-CB 3.33Å; H806-L808 PolarHBondContact ND1-N 2.89Å; H806-L808 PolarHBondContact O-N 3.3Å; H806-H809 WeakPolarHBondContact O-CB 3.46Å; H806-H809 PolarHBondContact O-N 2.97Å
807	P	86.3	Confident	88.5	Confident	104 Å²	104	77.9 Å²	77.9	68%	0.675	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-53.6	-33.7	-176.2	-28.8	35.4	0	0	0	114.1	H809	P807-H809 VanDerWaalsContact C-N 3.3Å; P807-H809 PolarHBondContact O-N 3.06Å
808	L	85.9	Confident	88.4	Confident	16 Å²	16	73.3 Å²	73.3	8%	0.084	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-74.8	-13	-177.7	-144.5	145.2	0	0	0	113.8	V622 Y625 H806 N810 D811 L814 V817	V622-L808 HydrophobicContact CB-CD1 4.42Å; V622-L808 HydrophobicContact CG2-CD1 3.81Å; Y625-L808 HydrophobicContact CD1-CD2 4.48Å; H806-L808 WeakPolarHBondContact ND1-CB 3.33Å; H806-L808 PolarHBondContact ND1-N 2.89Å; H806-L808 PolarHBondContact O-N 3.3Å; L808-N810 VanDerWaalsContact C-N 3.29Å; L808-N810 PolarHBondContact O-N 3.04Å; L808-D811 HydrophobicContact CG-CB 4.45Å; L808-D811 PolarHBondContact O-N 2.87Å; L808-L814 HydrophobicContact CD2-CB 4.19Å; L808-L814 HydrophobicContact CD2-CD1 3.47Å; L808-L814 VanDerWaalsContact CD2-CD1 3.47Å; L808-L814 HydrophobicContact CD2-CG 4.4Å; L808-V817 HydrophobicContact CD1-CG1 4.47Å
809	H	88.3	Confident	88.2	Confident	51 Å²	51	73 Å²	73	24%	0.236	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-67.7	-31.5	177.9	-172.8	62.7	0	0	0	112.8	Y625 M803 Y804 H806 P807	Y625-H809 HydrophobicContact CE2-CB 3.96Å; Y625-H809 AromaticContact CZ-ND1 3.87Å; Y625-H809 PolarHBondContact OH-ND1 3.37Å; M803-H809 WeakPolarHBondContact O-CB 3.31Å; Y804-H809 AromaticContact CD1-CD2 3.76Å; Y804-H809 AromaticContact CD1-CE1 3.99Å; Y804-H809 AromaticContact CD1-NE2 3.35Å; Y804-H809 WeakPolarHBondContact CD1-NE2 3.49Å; Y804-H809 AromaticContact CE1-NE2 3.68Å; H806-H809 WeakPolarHBondContact O-CB 3.46Å; H806-H809 PolarHBondContact O-N 2.97Å; P807-H809 VanDerWaalsContact C-N 3.3Å; P807-H809 PolarHBondContact O-N 3.06Å
810	N	84.9	Confident	88.1	Confident	128 Å²	128	73.5 Å²	73.5	68%	0.684	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-102.9	10.2	-179.4	-57.3	-57.5	0	0	0	112.6	L808	L808-N810 VanDerWaalsContact C-N 3.29Å; L808-N810 PolarHBondContact O-N 3.04Å
811	D	85.2	Confident	87.9	Confident	61 Å²	61	70 Å²	70	33%	0.326	37%	0.367	S	S	.	.			trans	-80.7	125	178.6	-171.1	-32.1	0	0	0	109.8	L808 N813 L814	L808-D811 HydrophobicContact CG-CB 4.45Å; L808-D811 PolarHBondContact O-N 2.87Å; D811-N813 PolarHBondContact O-N 2.64Å; D811-N813 VanDerWaalsContact O-N 3.1Å; D811-N813 WeakPolarHBondContact OD1-CB 3.31Å; D811-N813 PolarHBondContact OD1-N 3.35Å; D811-N813 PolarHBondContact OD1-ND2 2.89Å; D811-L814 WeakPolarHBondContact O-CB 3.36Å; D811-L814 PolarHBondContact O-N 2.8Å
812	P	84.1	Confident	87.8	Confident	127 Å²	127	68 Å²	68	83%	0.825	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.4	177.4	26.3	-35.7	0	0	0	113.8
813	N	85	Confident	87.7	Confident	94 Å²	94	66.9 Å²	66.9	50%	0.503	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0.7	175.1	-56	-67.5	0	0	0	113.6	D811 E815 T816 V817	D811-N813 PolarHBondContact O-N 2.64Å; D811-N813 VanDerWaalsContact O-N 3.1Å; D811-N813 WeakPolarHBondContact OD1-CB 3.31Å; D811-N813 PolarHBondContact OD1-N 3.35Å; D811-N813 PolarHBondContact OD1-ND2 2.89Å; N813-E815 VanDerWaalsContact C-N 3.31Å; N813-E815 PolarHBondContact O-N 2.8Å; N813-T816 PolarHBondContact O-N 3.43Å; N813-T816 VanDerWaalsContact O-N 3.1Å; N813-V817 HydrophobicContact CB-CG2 4.23Å; N813-V817 WeakPolarHBondContact O-CG2 3.46Å; N813-V817 PolarHBondContact O-N 2.82Å
814	L	86.4	Confident	87.7	Confident	26 Å²	26	66.6 Å²	66.6	14%	0.136	36%	0.355	C	S	.	.	H	α-helix	trans	-39.5	-57.5	-178.1	160.5	56.3	0	0	0	112.2	Y625 L808 D811 T816 V817 Y818	Y625-L814 HydrophobicContact CD1-CD1 3.96Å; Y625-L814 HydrophobicContact CE1-CD1 3.4Å; Y625-L814 VanDerWaalsContact CE1-CD1 3.4Å; L808-L814 HydrophobicContact CD2-CB 4.19Å; L808-L814 HydrophobicContact CD2-CD1 3.47Å; L808-L814 VanDerWaalsContact CD2-CD1 3.47Å; L808-L814 HydrophobicContact CD2-CG 4.4Å; D811-L814 WeakPolarHBondContact O-CB 3.36Å; D811-L814 PolarHBondContact O-N 2.8Å; L814-T816 PolarHBondContact O-N 2.88Å; L814-V817 PolarHBondContact O-N 3.48Å; L814-Y818 WeakPolarHBondContact O-CB 3.42Å; L814-Y818 PolarHBondContact O-N 2.95Å
815	E	86.1	Confident	87.6	Confident	116 Å²	116	60.9 Å²	60.9	54%	0.542	33%	0.332	S	S	.	.	H	α-helix	trans	-65.2	-40.3	-171.6	-162.6	66.4	-177.1	0	0	112	N813 V817 Y818 T819	N813-E815 VanDerWaalsContact C-N 3.31Å; N813-E815 PolarHBondContact O-N 2.8Å; E815-V817 PolarHBondContact O-N 3.34Å; E815-Y818 PolarHBondContact O-N 3Å; E815-T819 WeakPolarHBondContact O-CB 3.31Å; E815-T819 PolarHBondContact O-N 2.89Å; E815-T819 PolarHBondContact O-OG1 3.35Å
816	T	87.3	Confident	87.5	Confident	95 Å²	95	61.9 Å²	61.9	58%	0.583	33%	0.329	S	S	*	.	H	α-helix	trans	-63.5	-45	177.2	-63.2	0	0	0	0	111.2	N813 L814 L820	N813-T816 PolarHBondContact O-N 3.43Å; N813-T816 VanDerWaalsContact O-N 3.1Å; L814-T816 PolarHBondContact O-N 2.88Å; T816-L820 WeakPolarHBondContact O-CG 3.38Å; T816-L820 PolarHBondContact O-N 3.37Å; T816-L820 VanDerWaalsContact O-N 3.15Å
817	V	87.9	Confident	87.6	Confident	20 Å²	20	62 Å²	62	12%	0.121	33%	0.33	C	S	.	.	H	α-helix	trans	-72.5	-33.6	-178.6	178.1	0	0	0	0	111	I616 V622 L808 N813 L814 E815 L820 C821	I616-V817 HydrophobicContact CG2-CG1 4.1Å; V622-V817 HydrophobicContact CB-CG1 4.21Å; V622-V817 HydrophobicContact CG1-CG1 3.68Å; V622-V817 HydrophobicContact CG2-CG1 3.41Å; V622-V817 VanDerWaalsContact CG2-CG1 3.41Å; L808-V817 HydrophobicContact CD1-CG1 4.47Å; N813-V817 HydrophobicContact CB-CG2 4.23Å; N813-V817 WeakPolarHBondContact O-CG2 3.46Å; N813-V817 PolarHBondContact O-N 2.82Å; L814-V817 PolarHBondContact O-N 3.48Å; E815-V817 PolarHBondContact O-N 3.34Å; V817-L820 PolarHBondContact O-N 3.3Å; V817-C821 PolarHBondContact O-N 3.05Å; V817-C821 VanDerWaalsContact O-N 3.1Å
818	Y	87.8	Confident	87.7	Confident	22 Å²	22	57.9 Å²	57.9	9%	0.086	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-49.1	173.2	-172.3	-92.9	0	0	0	111.8	Y625 Y626 R629 L814 E815 L820 C821 E822	Y625-Y818 HydrophobicContact CD1-CD2 4.1Å; Y625-Y818 HydrophobicContact CD1-CE2 4.43Å; Y625-Y818 HydrophobicContact CE1-CD2 4.3Å; Y626-Y818 AromaticContact CD2-CE2 3.78Å; Y626-Y818 HydrophobicContact CD2-CE2 3.78Å; Y626-Y818 AromaticContact CD2-CZ 3.81Å; R629-Y818 HydrophobicContact CB-CE2 4.41Å; L814-Y818 WeakPolarHBondContact O-CB 3.42Å; L814-Y818 PolarHBondContact O-N 2.95Å; E815-Y818 PolarHBondContact O-N 3Å; Y818-L820 VanDerWaalsContact C-N 3.26Å; Y818-L820 PolarHBondContact O-N 3.48Å; Y818-C821 CarbonylContact O-C 3.38Å; Y818-C821 WeakPolarHBondContact O-CA 3.43Å; Y818-C821 WeakPolarHBondContact O-CB 3.47Å; Y818-C821 PolarHBondContact O-N 3.36Å; Y818-E822 WeakPolarHBondContact O-CB 3.47Å; Y818-E822 PolarHBondContact O-N 3.47Å
819	T	88.8	Confident	87.9	Confident	44 Å²	44	59.5 Å²	59.5	27%	0.27	31%	0.313	S	S	.	.	H	α-helix	trans	-60.7	-33.3	175.8	-57.9	0	0	0	0	112.3	E815 K823	E815-T819 WeakPolarHBondContact O-CB 3.31Å; E815-T819 PolarHBondContact O-N 2.89Å; E815-T819 PolarHBondContact O-OG1 3.35Å; T819-K823 HydrophobicContact CG2-CD 4.17Å; T819-K823 WeakPolarHBondContact O-CB 3.28Å; T819-K823 VanDerWaalsContact O-CG 3.28Å; T819-K823 WeakPolarHBondContact O-CG 3.4Å; T819-K823 PolarHBondContact O-N 3.16Å
820	L	88.4	Confident	87.9	Confident	59 Å²	59	60.1 Å²	60.1	31%	0.309	32%	0.318	S	S	.	.	H	α-helix	trans	-67.2	-41.1	172.5	-72.3	172	0	0	0	112	I614 I616 T816 V817 Y818 K824	I614-L820 HydrophobicContact CG2-CD2 4.37Å; I616-L820 HydrophobicContact CD1-CB 4.42Å; I616-L820 HydrophobicContact CG1-CB 4.33Å; T816-L820 WeakPolarHBondContact O-CG 3.38Å; T816-L820 PolarHBondContact O-N 3.37Å; T816-L820 VanDerWaalsContact O-N 3.15Å; V817-L820 PolarHBondContact O-N 3.3Å; Y818-L820 VanDerWaalsContact C-N 3.26Å; Y818-L820 PolarHBondContact O-N 3.48Å; L820-K824 VanDerWaalsContact O-CB 3.3Å; L820-K824 WeakPolarHBondContact O-CB 3.38Å; L820-K824 PolarHBondContact O-N 3.03Å
821	C	88.7	Confident	88	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-65.9	-41.6	175.2	-170.2	0	0	0	0	112.3	I616 V622 V817 Y818 K824 A825	I616-C821 HydrophobicContact CD1-CB 4.09Å; V622-C821 HydrophobicContact CG1-CB 3.52Å; V817-C821 PolarHBondContact O-N 3.05Å; V817-C821 VanDerWaalsContact O-N 3.1Å; Y818-C821 CarbonylContact O-C 3.38Å; Y818-C821 WeakPolarHBondContact O-CA 3.43Å; Y818-C821 WeakPolarHBondContact O-CB 3.47Å; Y818-C821 PolarHBondContact O-N 3.36Å; C821-K824 PolarHBondContact O-N 2.93Å; C821-A825 VanDerWaalsContact O-CB 3.3Å; C821-A825 WeakPolarHBondContact O-CB 3.39Å; C821-A825 PolarHBondContact O-N 3.37Å
822	E	88.9	Confident	88.3	Confident	87 Å²	87	55 Å²	55	41%	0.407	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-47.3	175.9	-176	174.2	-122.1	0	0	111.6	Y626 Y818 K824 A825 Q826	Y626-E822 HydrophobicContact CE2-CB 4.22Å; Y626-E822 HydrophobicContact CE2-CG 4.44Å; Y818-E822 WeakPolarHBondContact O-CB 3.47Å; Y818-E822 PolarHBondContact O-N 3.47Å; E822-K824 VanDerWaalsContact C-N 3.34Å; E822-K824 PolarHBondContact O-N 3.34Å; E822-A825 WeakPolarHBondContact O-CB 3.4Å; E822-A825 PolarHBondContact O-N 3.1Å; E822-Q826 PolarHBondContact O-N 2.67Å
823	K	89.4	Confident	88.5	Confident	119 Å²	119	51.9 Å²	51.9	52%	0.517	27%	0.269	S	S	.	.	H	α-helix	trans	-59.8	-42.4	173	-74.7	171.9	179.2	175	0	112.3	I614 T819 Q826 I827	I614-K823 HydrophobicContact CD1-CB 4.48Å; T819-K823 HydrophobicContact CG2-CD 4.17Å; T819-K823 WeakPolarHBondContact O-CB 3.28Å; T819-K823 VanDerWaalsContact O-CG 3.28Å; T819-K823 WeakPolarHBondContact O-CG 3.4Å; T819-K823 PolarHBondContact O-N 3.16Å; K823-Q826 PolarHBondContact O-N 3.19Å; K823-I827 WeakPolarHBondContact O-CD1 3.39Å; K823-I827 VanDerWaalsContact O-CG1 3.32Å; K823-I827 WeakPolarHBondContact O-CG1 3.44Å; K823-I827 PolarHBondContact O-N 3.09Å
824	K	90.6	Very high	88.5	Confident	15 Å²	15	47.4 Å²	47.4	7%	0.065	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-34.8	177.7	-167.3	169.4	-173	174.2	0	112.3	F75 Y611 I614 I616 E619 L820 C821 E822 A828	F75-K824 HydrophobicContact CE1-CG 4.38Å; Y611-K824 HydrophobicContact CD2-CG 3.68Å; Y611-K824 HydrophobicContact CE2-CD 4.17Å; Y611-K824 HydrophobicContact CE2-CG 3.39Å; Y611-K824 WeakPolarHBondContact CE2-O 3.39Å; I614-K824 HydrophobicContact CB-CD 4.35Å; I614-K824 HydrophobicContact CG2-CB 4.21Å; I614-K824 HydrophobicContact CG2-CD 4.14Å; I614-K824 WeakPolarHBondContact O-CE 3.34Å; I614-K824 PolarHBondContact O-NZ 3.28Å; I616-K824 HydrophobicContact CD1-CB 4.06Å; I616-K824 HydrophobicContact CD1-CD 3.62Å; I616-K824 HydrophobicContact CD1-CG 4.46Å; I616-K824 HydrophobicContact CG1-CD 4.1Å; E619-K824 VanDerWaalsContact OE1-CE 3.23Å; E619-K824 WeakPolarHBondContact OE1-CE 3.47Å; E619-K824 IonicContact OE1-NZ 2.7Å; E619-K824 PolarHBondContact OE1-NZ 3.44Å; E619-K824 IonicContact OE2-NZ 2.71Å; E619-K824 PolarHBondContact OE2-NZ 2.67Å; L820-K824 VanDerWaalsContact O-CB 3.3Å; L820-K824 WeakPolarHBondContact O-CB 3.38Å; L820-K824 PolarHBondContact O-N 3.03Å; C821-K824 PolarHBondContact O-N 2.93Å; E822-K824 VanDerWaalsContact C-N 3.34Å; E822-K824 PolarHBondContact O-N 3.34Å; K824-A828 WeakPolarHBondContact O-CB 3.41Å; K824-A828 PolarHBondContact O-N 3.19Å; K824-A828 VanDerWaalsContact O-N 3.09Å
825	A	88.8	Confident	88.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-44.8	172.4	0	0	0	0	0	111.6	P73 F75 Y626 C821 E822 A828 I829	P73-A825 HydrophobicContact CB-CB 4.34Å; P73-A825 HydrophobicContact CG-CB 4.27Å; F75-A825 HydrophobicContact CZ-CB 3.97Å; Y626-A825 HydrophobicContact CE1-CB 4.02Å; C821-A825 VanDerWaalsContact O-CB 3.3Å; C821-A825 WeakPolarHBondContact O-CB 3.39Å; C821-A825 PolarHBondContact O-N 3.37Å; E822-A825 WeakPolarHBondContact O-CB 3.4Å; E822-A825 PolarHBondContact O-N 3.1Å; A825-A828 WeakPolarHBondContact O-CB 3.22Å; A825-A828 PolarHBondContact O-N 3.29Å; A825-I829 WeakPolarHBondContact O-CG1 3.43Å; A825-I829 PolarHBondContact O-N 3.26Å
826	Q	89.7	Confident	88.4	Confident	97 Å²	97	49.4 Å²	49.4	45%	0.453	25%	0.248	S	C	.	.	H	α-helix	trans	-60.4	-49.8	176.9	-174.2	58.6	52.9	0	0	110.9	E822 K823 A828 I829 D830	E822-Q826 PolarHBondContact O-N 2.67Å; K823-Q826 PolarHBondContact O-N 3.19Å; Q826-A828 PolarHBondContact O-N 2.95Å; Q826-I829 CarbonylContact O-C 3.59Å; Q826-I829 WeakPolarHBondContact O-CA 3.28Å; Q826-I829 WeakPolarHBondContact O-CB 3.47Å; Q826-I829 PolarHBondContact O-N 2.84Å; Q826-D830 PolarHBondContact NE2-OD1 3.37Å; Q826-D830 PolarHBondContact O-N 2.72Å
827	I	90.7	Very high	88.2	Confident	20 Å²	20	48.7 Å²	48.7	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-34.5	177.6	-63.4	161.4	0	0	0	111.3	S607 Q610 Y611 I614 K823 D830 I831	S607-I827 WeakPolarHBondContact O-CG2 3.15Å; Q610-I827 HydrophobicContact CB-CD1 4.3Å; Y611-I827 HydrophobicContact CD2-CG2 4.47Å; I614-I827 HydrophobicContact CD1-CD1 3.6Å; K823-I827 WeakPolarHBondContact O-CD1 3.39Å; K823-I827 VanDerWaalsContact O-CG1 3.32Å; K823-I827 WeakPolarHBondContact O-CG1 3.44Å; K823-I827 PolarHBondContact O-N 3.09Å; I827-D830 PolarHBondContact O-N 3.41Å; I827-I831 HydrophobicContact CG2-CD1 3.89Å; I827-I831 HydrophobicContact CG2-CG1 4.37Å; I827-I831 WeakPolarHBondContact O-CD1 3.4Å; I827-I831 WeakPolarHBondContact O-CG1 3.36Å; I827-I831 PolarHBondContact O-N 3.47Å
828	A	89.6	Confident	87.8	Confident	18 Å²	18	48.7 Å²	48.7	15%	0.149	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-37	173.3	0	0	0	0	0	113.1	Y611 K824 A825 Q826 K832	Y611-A828 HydrophobicContact CD2-CB 4.26Å; Y611-A828 HydrophobicContact CE2-CB 3.86Å; K824-A828 WeakPolarHBondContact O-CB 3.41Å; K824-A828 PolarHBondContact O-N 3.19Å; K824-A828 VanDerWaalsContact O-N 3.09Å; A825-A828 WeakPolarHBondContact O-CB 3.22Å; A825-A828 PolarHBondContact O-N 3.29Å; Q826-A828 PolarHBondContact O-N 2.95Å; A828-K832 WeakPolarHBondContact O-CB 3.31Å; A828-K832 PolarHBondContact O-N 3.28Å
829	I	89.7	Confident	87.5	Confident	51 Å²	51	55.6 Å²	55.6	26%	0.262	27%	0.268	S	S	.	.	H	α-helix	trans	-66.6	-42.5	172.4	-67.5	163.2	0	0	0	109.9	A825 Q826 K832 S833	A825-I829 WeakPolarHBondContact O-CG1 3.43Å; A825-I829 PolarHBondContact O-N 3.26Å; Q826-I829 CarbonylContact O-C 3.59Å; Q826-I829 WeakPolarHBondContact O-CA 3.28Å; Q826-I829 WeakPolarHBondContact O-CB 3.47Å; Q826-I829 PolarHBondContact O-N 2.84Å; I829-K832 WeakPolarHBondContact O-CB 3.43Å; I829-K832 PolarHBondContact O-N 3.2Å; I829-S833 WeakPolarHBondContact O-CB 3.43Å; I829-S833 PolarHBondContact O-N 2.62Å
830	D	87.8	Confident	86.8	Confident	63 Å²	63	60.1 Å²	60.1	34%	0.337	28%	0.284	S	S	.	.	H	α-helix	trans	-63.9	-41.9	178.3	-58.1	-26.6	0	0	0	111.6	Q826 I827 S833 A834	Q826-D830 PolarHBondContact NE2-OD1 3.37Å; Q826-D830 PolarHBondContact O-N 2.72Å; I827-D830 PolarHBondContact O-N 3.41Å; D830-S833 PolarHBondContact O-N 3.42Å; D830-A834 WeakPolarHBondContact O-CB 3.23Å; D830-A834 PolarHBondContact O-N 2.83Å
831	I	87.6	Confident	85.9	Confident	18 Å²	18	57.7 Å²	57.7	9%	0.092	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-45.2	172.5	-66.6	159.2	0	0	0	110.7	E608 Y611 I827 S833 A834 K835	E608-I831 HydrophobicContact CG-CD1 3.89Å; E608-I831 HydrophobicContact CG-CG1 4.21Å; E608-I831 HydrophobicContact CG-CG2 4.12Å; Y611-I831 HydrophobicContact CG-CD1 4.33Å; I827-I831 HydrophobicContact CG2-CD1 3.89Å; I827-I831 HydrophobicContact CG2-CG1 4.37Å; I827-I831 WeakPolarHBondContact O-CD1 3.4Å; I827-I831 WeakPolarHBondContact O-CG1 3.36Å; I827-I831 PolarHBondContact O-N 3.47Å; I831-S833 VanDerWaalsContact C-N 3.27Å; I831-S833 PolarHBondContact O-N 3.24Å; I831-A834 PolarHBondContact O-N 3.06Å; I831-K835 HydrophobicContact CG2-CD 4.12Å; I831-K835 HydrophobicContact CG2-CG 4.42Å; I831-K835 WeakPolarHBondContact O-CB 3.3Å; I831-K835 WeakPolarHBondContact O-CG 3.47Å; I831-K835 PolarHBondContact O-N 2.92Å
832	K	90.2	Very high	84.9	Confident	63 Å²	63	60.9 Å²	60.9	27%	0.274	28%	0.284	S	S	.	.	H	α-helix	trans	-60.4	-39.3	176.7	-170.4	-173.4	-173.8	-171.4	0	110.9	T70 D71 A828 I829 R836	T70-K832 PolarHBondContact O-NZ 3.25Å; T70-K832 VanDerWaalsContact O-NZ 3.14Å; D71-K832 WeakPolarHBondContact OD1-CE 3.17Å; D71-K832 IonicContact OD1-NZ 2.72Å; D71-K832 PolarHBondContact OD1-NZ 2.91Å; A828-K832 WeakPolarHBondContact O-CB 3.31Å; A828-K832 PolarHBondContact O-N 3.28Å; I829-K832 WeakPolarHBondContact O-CB 3.43Å; I829-K832 PolarHBondContact O-N 3.2Å; K832-R836 VanDerWaalsContact O-CG 3.31Å; K832-R836 WeakPolarHBondContact O-CG 3.42Å; K832-R836 PolarHBondContact O-N 3.31Å
833	S	88.8	Confident	84.1	Confident	62 Å²	62	60.5 Å²	60.5	43%	0.434	29%	0.288	S	S	.	.	H	α-helix	trans	-67.6	-51.5	176.3	-163.3	0	0	0	0	111.7	I829 D830 I831 K835 R836 E837	I829-S833 WeakPolarHBondContact O-CB 3.43Å; I829-S833 PolarHBondContact O-N 2.62Å; D830-S833 PolarHBondContact O-N 3.42Å; I831-S833 VanDerWaalsContact C-N 3.27Å; I831-S833 PolarHBondContact O-N 3.24Å; S833-K835 VanDerWaalsContact C-N 3.28Å; S833-K835 PolarHBondContact O-N 3.23Å; S833-R836 CarbonylContact O-C 3.51Å; S833-R836 WeakPolarHBondContact O-CA 3.29Å; S833-R836 WeakPolarHBondContact O-CB 3.41Å; S833-R836 PolarHBondContact O-N 3.34Å; S833-E837 WeakPolarHBondContact O-CB 3.39Å; S833-E837 PolarHBondContact O-N 3.31Å
834	A	85.1	Confident	83.3	Confident	1 Å²	1	56 Å²	56	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-64.8	-28.8	178.8	0	0	0	0	0	113.1	V600 V604 D830 I831 E837 L838	V600-A834 WeakPolarHBondContact CG1-O 3.4Å; V604-A834 HydrophobicContact CG2-CB 3.55Å; D830-A834 WeakPolarHBondContact O-CB 3.23Å; D830-A834 PolarHBondContact O-N 2.83Å; I831-A834 PolarHBondContact O-N 3.06Å; A834-E837 WeakPolarHBondContact O-CB 3.34Å; A834-L838 WeakPolarHBondContact O-CB 3.3Å; A834-L838 PolarHBondContact O-N 3.22Å
835	K	86	Confident	82.5	Confident	83 Å²	83	57.6 Å²	57.6	36%	0.361	28%	0.279	S	S	.	.	H	α-helix	trans	-76.2	-31.2	170.7	-70.8	-172.5	-179.6	-170.9	0	113.3	V604 E608 I831 S833 K839	V604-K835 HydrophobicContact CG1-CD 4.43Å; V604-K835 HydrophobicContact CG1-CG 4.12Å; V604-K835 HydrophobicContact CG2-CG 4.08Å; E608-K835 VanDerWaalsContact OE1-CE 3.31Å; E608-K835 WeakPolarHBondContact OE1-CE 3.3Å; E608-K835 IonicContact OE1-NZ 3.93Å; E608-K835 PolarHBondContact OE1-NZ 2.67Å; I831-K835 HydrophobicContact CG2-CD 4.12Å; I831-K835 HydrophobicContact CG2-CG 4.42Å; I831-K835 WeakPolarHBondContact O-CB 3.3Å; I831-K835 WeakPolarHBondContact O-CG 3.47Å; I831-K835 PolarHBondContact O-N 2.92Å; S833-K835 VanDerWaalsContact C-N 3.28Å; S833-K835 PolarHBondContact O-N 3.23Å; K835-K839 WeakPolarHBondContact O-CB 3.35Å; K835-K839 PolarHBondContact O-N 3.02Å
836	R	85.6	Confident	82.2	Confident	100 Å²	100	58.5 Å²	58.5	38%	0.377	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-44.7	166.7	-75	165.5	165.5	161.4	-3	110.8	D71 K832 S833 K839 K840	D71-R836 VanDerWaalsContact CG-NH1 3.3Å; D71-R836 IonicContact OD1-CZ 3.29Å; D71-R836 VanDerWaalsContact OD1-CZ 3.24Å; D71-R836 IonicContact OD1-NH1 2.64Å; D71-R836 PolarHBondContact OD1-NH1 2.84Å; D71-R836 IonicContact OD1-NH2 2.72Å; D71-R836 PolarHBondContact OD1-NH2 3.26Å; D71-R836 IonicContact OD2-CZ 2.66Å; D71-R836 IonicContact OD2-NH1 2.68Å; D71-R836 PolarHBondContact OD2-NH1 3.41Å; D71-R836 IonicContact OD2-NH2 3.62Å; K832-R836 VanDerWaalsContact O-CG 3.31Å; K832-R836 WeakPolarHBondContact O-CG 3.42Å; K832-R836 PolarHBondContact O-N 3.31Å; S833-R836 CarbonylContact O-C 3.51Å; S833-R836 WeakPolarHBondContact O-CA 3.29Å; S833-R836 WeakPolarHBondContact O-CB 3.41Å; S833-R836 PolarHBondContact O-N 3.34Å; R836-K839 PolarHBondContact O-N 3.06Å; R836-K840 WeakPolarHBondContact O-CB 3.38Å; R836-K840 WeakPolarHBondContact O-CG 3.45Å; R836-K840 PolarHBondContact O-N 3.09Å
837	E	81.5	Confident	82.1	Confident	81 Å²	81	55.3 Å²	55.3	38%	0.379	27%	0.269	S	S	.	.	H	α-helix	trans	-55.9	-52.6	175.4	-174	177.9	-162.7	0	0	110.5	V600 K603 S833 A834 K839 K840 A841	V600-E837 HydrophobicContact CG1-CB 4.38Å; V600-E837 HydrophobicContact CG1-CG 4.16Å; V600-E837 HydrophobicContact CG2-CG 4.28Å; K603-E837 IonicContact NZ-OE1 3.04Å; K603-E837 IonicContact NZ-OE2 2.69Å; K603-E837 PolarHBondContact NZ-OE2 2.98Å; S833-E837 WeakPolarHBondContact O-CB 3.39Å; S833-E837 PolarHBondContact O-N 3.31Å; A834-E837 WeakPolarHBondContact O-CB 3.34Å; E837-K839 PolarHBondContact O-N 3.01Å; E837-K840 PolarHBondContact O-N 3.43Å; E837-A841 WeakPolarHBondContact O-CB 3.37Å; E837-A841 PolarHBondContact O-N 3.42Å
838	L	80.6	Confident	82	Confident	19 Å²	19	59.5 Å²	59.5	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-42.9	175.6	-176.5	61.9	0	0	0	113.2	I597 V600 V601 A834 K840 A841 R842	I597-L838 HydrophobicContact CG2-CD1 3.79Å; V600-L838 HydrophobicContact CG1-CB 4.09Å; V601-L838 HydrophobicContact CG2-CD1 3.74Å; V601-L838 HydrophobicContact CG2-CD2 4.02Å; A834-L838 WeakPolarHBondContact O-CB 3.3Å; A834-L838 PolarHBondContact O-N 3.22Å; L838-K840 VanDerWaalsContact C-N 3.33Å; L838-K840 PolarHBondContact O-N 2.78Å; L838-A841 PolarHBondContact O-N 3.31Å; L838-R842 PolarHBondContact O-N 3Å
839	K	81.1	Confident	82.2	Confident	167 Å²	167	61.4 Å²	61.4	73%	0.726	30%	0.297	S	S	*	.	H	α-helix	trans	-63.7	-38.7	176.5	-173.3	-178.4	178.1	-173.8	0	111.7	K835 R836 E837	K835-K839 WeakPolarHBondContact O-CB 3.35Å; K835-K839 PolarHBondContact O-N 3.02Å; R836-K839 PolarHBondContact O-N 3.06Å; E837-K839 PolarHBondContact O-N 3.01Å
840	K	75.1	Confident	82.4	Confident	140 Å²	140	59 Å²	59	61%	0.609	29%	0.285	S	S	*	.	H	α-helix	trans	-67	-44.3	174.3	-77.1	-172.3	175.4	-167.5	0	111.5	R836 E837 L838 R842 T843 L845	R836-K840 WeakPolarHBondContact O-CB 3.38Å; R836-K840 WeakPolarHBondContact O-CG 3.45Å; R836-K840 PolarHBondContact O-N 3.09Å; E837-K840 PolarHBondContact O-N 3.43Å; L838-K840 VanDerWaalsContact C-N 3.33Å; L838-K840 PolarHBondContact O-N 2.78Å; K840-R842 PolarHBondContact O-N 2.97Å; K840-T843 PolarHBondContact O-N 2.81Å; K840-T843 VanDerWaalsContact O-O 3.07Å; K840-T843 PolarHBondContact O-OG1 3.3Å; K840-L845 HydrophobicContact CB-CD2 3.77Å; K840-L845 VanDerWaalsContact O-CD2 3.26Å; K840-L845 WeakPolarHBondContact O-CD2 3.28Å
841	A	68.5	Low	82.7	Confident	7 Å²	7	61 Å²	61	6%	0.058	29%	0.291	C	S	.	.	H	α-helix	trans	-64.5	-23.2	-176.8	0	0	0	0	0	114.3	I597 E837 L838 T843	I597-A841 HydrophobicContact CD1-CB 3.9Å; I597-A841 HydrophobicContact CG1-CB 3.6Å; E837-A841 WeakPolarHBondContact O-CB 3.37Å; E837-A841 PolarHBondContact O-N 3.42Å; L838-A841 PolarHBondContact O-N 3.31Å; A841-T843 PolarHBondContact O-N 2.98Å
842	R	67.2	Low	83.1	Confident	67 Å²	67	60.9 Å²	60.9	25%	0.253	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.7	169.8	-69.5	-173.3	-174.3	148.4	7.2	114.4	E87 L838 K840	E87-R842 IonicContact OE1-CZ 2.66Å; E87-R842 IonicContact OE1-NH1 2.64Å; E87-R842 PolarHBondContact OE1-NH1 3.34Å; E87-R842 IonicContact OE1-NH2 2.57Å; E87-R842 IonicContact OE2-CZ 3.55Å; E87-R842 IonicContact OE2-NH1 2.74Å; E87-R842 PolarHBondContact OE2-NH1 3.01Å; E87-R842 IonicContact OE2-NH2 2.71Å; E87-R842 PolarHBondContact OE2-NH2 3.42Å; L838-R842 PolarHBondContact O-N 3Å; K840-R842 PolarHBondContact O-N 2.97Å
843	T	72.1	Confident	83.3	Confident	79 Å²	79	60 Å²	60	49%	0.485	29%	0.286	S	S	.	.	S	Bend	trans	-115.2	146.8	175.8	57.7	0	0	0	0	110.5	K840 A841 L845	K840-T843 PolarHBondContact O-N 2.81Å; K840-T843 VanDerWaalsContact O-O 3.07Å; K840-T843 PolarHBondContact O-OG1 3.3Å; A841-T843 PolarHBondContact O-N 2.98Å; T843-L845 PolarHBondContact O-N 2.98Å
844	V	74	Confident	83.7	Confident	25 Å²	25	57.6 Å²	57.6	15%	0.152	27%	0.268	C	S	.	.			trans	-66	107.3	171.2	179.1	0	0	0	0	108.2	L584 E585 Q846 M847	L584-V844 HydrophobicContact CB-CG1 3.86Å; L584-V844 HydrophobicContact CD1-CG1 4.35Å; E585-V844 HydrophobicContact CG-CG2 4.22Å; V844-Q846 VanDerWaalsContact C-N 3.35Å; V844-Q846 PolarHBondContact O-N 3.24Å; V844-M847 HydrophobicContact CB-CB 3.99Å; V844-M847 HydrophobicContact CB-CE 4.29Å; V844-M847 HydrophobicContact CG1-CB 4.09Å; V844-M847 HydrophobicContact CG1-CE 4.03Å; V844-M847 WeakPolarHBondContact O-CB 3.41Å; V844-M847 PolarHBondContact O-N 3.22Å
845	L	72.6	Confident	84.2	Confident	48 Å²	48	62.8 Å²	62.8	25%	0.251	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-37.7	-156.9	-70.6	171.1	0	0	0	113.8	Y589 H593 K840 T843 M847	Y589-L845 HydrophobicContact CE1-CB 4.2Å; Y589-L845 HydrophobicContact CE1-CD1 3.78Å; H593-L845 HydrophobicContact CB-CD1 4.38Å; H593-L845 WeakPolarHBondContact CD2-CD1 3.49Å; H593-L845 WeakPolarHBondContact NE2-CD1 3.46Å; K840-L845 HydrophobicContact CB-CD2 3.77Å; K840-L845 VanDerWaalsContact O-CD2 3.26Å; K840-L845 WeakPolarHBondContact O-CD2 3.28Å; T843-L845 PolarHBondContact O-N 2.98Å; L845-M847 VanDerWaalsContact C-N 3.34Å
846	Q	82.4	Confident	84.8	Confident	19 Å²	19	58.9 Å²	58.9	9%	0.089	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	1.9	-178.3	-72.3	162.8	-26.4	0	0	112.9	F562 L564 L584 V844 D848 E849 L850	F562-Q846 PolarHBondContact O-NE2 2.9Å; L564-Q846 HydrophobicContact CD1-CB 4.09Å; L584-Q846 HydrophobicContact CD1-CB 4.14Å; L584-Q846 HydrophobicContact CD2-CB 3.73Å; V844-Q846 VanDerWaalsContact C-N 3.35Å; V844-Q846 PolarHBondContact O-N 3.24Å; Q846-D848 VanDerWaalsContact C-N 3.32Å; Q846-D848 PolarHBondContact O-N 2.79Å; Q846-E849 WeakPolarHBondContact O-CB 3.31Å; Q846-E849 PolarHBondContact O-N 2.84Å; Q846-L850 PolarHBondContact O-N 2.96Å
847	M	87.6	Confident	85.3	Confident	31 Å²	31	54.1 Å²	54.1	15%	0.153	25%	0.253	C	S	.	.	H	α-helix	trans	-65.3	-31.2	-177.2	-173.9	57.8	69.9	0	0	113.1	E581 L584 V844 L845 L850 K851	E581-M847 HydrophobicContact CB-CE 4.11Å; E581-M847 HydrophobicContact CG-CE 3.82Å; E581-M847 HydrophobicContact CG-SD 3.86Å; L584-M847 HydrophobicContact CD1-CE 4.26Å; V844-M847 HydrophobicContact CB-CB 3.99Å; V844-M847 HydrophobicContact CB-CE 4.29Å; V844-M847 HydrophobicContact CG1-CB 4.09Å; V844-M847 HydrophobicContact CG1-CE 4.03Å; V844-M847 WeakPolarHBondContact O-CB 3.41Å; V844-M847 PolarHBondContact O-N 3.22Å; L845-M847 VanDerWaalsContact C-N 3.34Å; M847-L850 HydrophobicContact SD-CD2 4.19Å; M847-K851 WeakPolarHBondContact O-CD 3.48Å; M847-K851 WeakPolarHBondContact O-CE 3.29Å; M847-K851 VanDerWaalsContact O-CG 3.29Å; M847-K851 WeakPolarHBondContact O-CG 3.45Å; M847-K851 PolarHBondContact O-N 2.96Å
848	D	89.5	Confident	86.1	Confident	108 Å²	108	55 Å²	55	58%	0.578	25%	0.252	S	S	*	.	H	α-helix	trans	-80	-31.9	174.7	-77.6	-17.5	0	0	0	112.6	Q846 K851 C852	Q846-D848 VanDerWaalsContact C-N 3.32Å; Q846-D848 PolarHBondContact O-N 2.79Å; D848-K851 PolarHBondContact O-N 2.99Å; D848-K851 WeakPolarHBondContact OD1-CD 3.47Å; D848-K851 IonicContact OD1-NZ 2.68Å; D848-K851 PolarHBondContact OD1-NZ 3.39Å; D848-C852 PolarHBondContact O-N 3.23Å; D848-C852 VanDerWaalsContact O-N 3.08Å; D848-C852 PolarHBondContact O-SG 3.04Å
849	E	92.4	Very high	86.8	Confident	58 Å²	58	59.9 Å²	59.9	27%	0.271	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-44.5	169.5	-167.3	-164.4	152.8	0	0	110.6	L564 Q846 K851 C852 R853 L950	L564-E849 HydrophobicContact CD1-CB 4.19Å; L564-E849 HydrophobicContact CD1-CG 4.36Å; Q846-E849 WeakPolarHBondContact O-CB 3.31Å; Q846-E849 PolarHBondContact O-N 2.84Å; E849-K851 VanDerWaalsContact C-N 3.34Å; E849-K851 PolarHBondContact O-N 2.94Å; E849-C852 CarbonylContact O-C 3.57Å; E849-C852 PolarHBondContact O-N 2.86Å; E849-R853 PolarHBondContact O-N 3.49Å; E849-R853 IonicContact OE1-CZ 3.77Å; E849-R853 IonicContact OE1-NE 3.47Å; E849-R853 PolarHBondContact OE1-NE 3.16Å; E849-R853 IonicContact OE1-NH2 2.74Å; E849-R853 PolarHBondContact OE1-NH2 3.32Å; E849-L950 HydrophobicContact CG-CD2 4.07Å
850	L	94.4	Very high	87.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.2	-44.7	174.4	177.1	60.1	0	0	0	112	L564 V569 P580 E581 L584 Q846 M847 C852 R853 K854	L564-L850 HydrophobicContact CD1-CB 3.77Å; V569-L850 HydrophobicContact CG1-CD1 4.08Å; V569-L850 HydrophobicContact CG2-CD1 3.72Å; P580-L850 HydrophobicContact CB-CD1 3.65Å; P580-L850 HydrophobicContact CB-CD2 3.85Å; P580-L850 HydrophobicContact CB-CG 4.39Å; P580-L850 HydrophobicContact CG-CD1 4.49Å; E581-L850 HydrophobicContact CG-CD2 3.94Å; L584-L850 HydrophobicContact CD1-CB 4.07Å; L584-L850 HydrophobicContact CD1-CD2 3.75Å; Q846-L850 PolarHBondContact O-N 2.96Å; M847-L850 HydrophobicContact SD-CD2 4.19Å; L850-C852 VanDerWaalsContact C-N 3.32Å; L850-C852 PolarHBondContact O-N 2.99Å; L850-R853 PolarHBondContact O-N 2.9Å; L850-K854 HydrophobicContact CD1-CD 4.31Å; L850-K854 HydrophobicContact CD1-CG 4.16Å; L850-K854 HydrophobicContact CG-CD 4.33Å; L850-K854 WeakPolarHBondContact O-CB 3.33Å; L850-K854 WeakPolarHBondContact O-CG 3.4Å; L850-K854 PolarHBondContact O-N 3.13Å
851	K	94.3	Very high	88.5	Confident	105 Å²	105	47.3 Å²	47.3	46%	0.457	22%	0.224	S	C	.	.	H	α-helix	trans	-61.9	-39	175.2	-69	163.3	-155.7	158.8	0	112	M847 D848 E849 R855	M847-K851 WeakPolarHBondContact O-CD 3.48Å; M847-K851 WeakPolarHBondContact O-CE 3.29Å; M847-K851 VanDerWaalsContact O-CG 3.29Å; M847-K851 WeakPolarHBondContact O-CG 3.45Å; M847-K851 PolarHBondContact O-N 2.96Å; D848-K851 PolarHBondContact O-N 2.99Å; D848-K851 WeakPolarHBondContact OD1-CD 3.47Å; D848-K851 IonicContact OD1-NZ 2.68Å; D848-K851 PolarHBondContact OD1-NZ 3.39Å; E849-K851 VanDerWaalsContact C-N 3.34Å; E849-K851 PolarHBondContact O-N 2.94Å; K851-R855 WeakPolarHBondContact O-CB 3.16Å; K851-R855 PolarHBondContact O-N 3.01Å
852	C	95.7	Very high	89.9	Confident	16 Å²	16	47 Å²	47	11%	0.108	22%	0.221	C	C	.	.	H	α-helix	trans	-69.7	-40.8	176.2	-69.6	0	0	0	0	111.8	D848 E849 L850 R855 V856 A948 L950	D848-C852 PolarHBondContact O-N 3.23Å; D848-C852 VanDerWaalsContact O-N 3.08Å; D848-C852 PolarHBondContact O-SG 3.04Å; E849-C852 CarbonylContact O-C 3.57Å; E849-C852 PolarHBondContact O-N 2.86Å; L850-C852 VanDerWaalsContact C-N 3.32Å; L850-C852 PolarHBondContact O-N 2.99Å; C852-R855 WeakPolarHBondContact O-CB 3.28Å; C852-R855 PolarHBondContact O-N 2.89Å; C852-V856 PolarHBondContact O-N 2.78Å; C852-A948 PolarHBondContact SG-O 2.83Å; C852-L950 HydrophobicContact CB-CD2 3.43Å; C852-L950 VanDerWaalsContact CB-CD2 3.43Å; C852-L950 HydrophobicContact CB-CG 3.85Å
853	R	95.9	Very high	91.3	Very high	45 Å²	45	44 Å²	44	17%	0.17	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-46.9	173.2	-71.1	-176.3	-176.5	-101.9	5.8	112.3	L564 Y566 E849 L850 R855 V856 L857 L950	L564-R853 PolarHBondContact O-NE 3.12Å; L564-R853 PolarHBondContact O-NH1 2.79Å; L564-R853 PolarHBondContact O-NH2 3.29Å; Y566-R853 HydrophobicContact CD1-CB 4.13Å; Y566-R853 HydrophobicContact CD1-CG 4.36Å; Y566-R853 HydrophobicContact CE1-CB 3.62Å; Y566-R853 HydrophobicContact CE1-CG 3.71Å; E849-R853 PolarHBondContact O-N 3.49Å; E849-R853 IonicContact OE1-CZ 3.77Å; E849-R853 IonicContact OE1-NE 3.47Å; E849-R853 PolarHBondContact OE1-NE 3.16Å; E849-R853 IonicContact OE1-NH2 2.74Å; E849-R853 PolarHBondContact OE1-NH2 3.32Å; L850-R853 PolarHBondContact O-N 2.9Å; R853-R855 PolarHBondContact O-N 3.25Å; R853-V856 WeakPolarHBondContact O-CB 3.49Å; R853-V856 PolarHBondContact O-N 3.46Å; R853-L857 WeakPolarHBondContact O-CG 3.5Å; R853-L857 PolarHBondContact O-N 3.48Å; R853-L950 HydrophobicContact CG-CD1 4.12Å; R853-L950 HydrophobicContact CG-CD2 4.18Å
854	K	95.9	Very high	92.5	Very high	10 Å²	10	42 Å²	42	4%	0.043	20%	0.199	C	C	.	.	H	α-helix	trans	-56	-38.3	171.4	-77	-176.7	169.7	-169.6	0	111.5	V569 E581 L850 L857 R858 D867	V569-K854 HydrophobicContact CG1-CG 4.36Å; E581-K854 IonicContact OE1-NZ 3.18Å; E581-K854 PolarHBondContact OE1-NZ 3.25Å; E581-K854 IonicContact OE2-NZ 2.67Å; E581-K854 PolarHBondContact OE2-NZ 2.72Å; L850-K854 HydrophobicContact CD1-CD 4.31Å; L850-K854 HydrophobicContact CD1-CG 4.16Å; L850-K854 HydrophobicContact CG-CD 4.33Å; L850-K854 WeakPolarHBondContact O-CB 3.33Å; L850-K854 WeakPolarHBondContact O-CG 3.4Å; L850-K854 PolarHBondContact O-N 3.13Å; K854-L857 PolarHBondContact O-N 3.01Å; K854-R858 WeakPolarHBondContact O-CB 3.32Å; K854-R858 WeakPolarHBondContact O-CD 3.45Å; K854-R858 WeakPolarHBondContact O-CG 3.45Å; K854-R858 PolarHBondContact O-N 3.37Å; K854-D867 WeakPolarHBondContact CD-OD2 3.45Å; K854-D867 WeakPolarHBondContact CE-OD2 3.35Å; K854-D867 IonicContact NZ-OD2 2.7Å; K854-D867 PolarHBondContact NZ-OD2 3.44Å
855	R	96.9	Very high	93.4	Very high	111 Å²	111	45.5 Å²	45.5	42%	0.419	23%	0.225	S	C	.	.	H	α-helix	trans	-62.4	-40.6	172.4	180	-175	-72.2	136.7	1.9	112.7	K851 C852 R853 R859 A948	K851-R855 WeakPolarHBondContact O-CB 3.16Å; K851-R855 PolarHBondContact O-N 3.01Å; C852-R855 WeakPolarHBondContact O-CB 3.28Å; C852-R855 PolarHBondContact O-N 2.89Å; R853-R855 PolarHBondContact O-N 3.25Å; R855-R859 WeakPolarHBondContact O-CB 3.37Å; R855-R859 VanDerWaalsContact O-CG 3.31Å; R855-R859 WeakPolarHBondContact O-CG 3.38Å; R855-R859 PolarHBondContact O-N 3.39Å; R855-A948 HydrophobicContact CB-CB 4.32Å; R855-A948 HydrophobicContact CG-CB 4.02Å; R855-A948 PolarHBondContact NH1-O 2.95Å
856	V	97	Very high	94.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.6	-50.3	174.9	175.1	0	0	0	0	110.9	Y566 C852 R853 R858 R859 L860 L885 V944 A948 L950	Y566-V856 HydrophobicContact CE1-CB 4.18Å; Y566-V856 HydrophobicContact CE1-CG1 4.29Å; C852-V856 PolarHBondContact O-N 2.78Å; R853-V856 WeakPolarHBondContact O-CB 3.49Å; R853-V856 PolarHBondContact O-N 3.46Å; V856-R858 VanDerWaalsContact C-N 3.29Å; V856-R858 PolarHBondContact O-N 3.48Å; V856-R859 PolarHBondContact O-N 2.67Å; V856-L860 HydrophobicContact CG1-CD1 3.79Å; V856-L860 HydrophobicContact CG1-CG 4.39Å; V856-L860 PolarHBondContact O-N 3.34Å; V856-L885 HydrophobicContact CG1-CD1 4.12Å; V856-V944 HydrophobicContact CG1-CG1 4.38Å; V856-A948 HydrophobicContact CG2-CB 3.53Å; V856-L950 HydrophobicContact CG2-CD1 3.95Å
857	L	97.4	Very high	94.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-54.9	-44.4	178	-65.4	177.5	0	0	0	111.9	Y566 V569 L570 R853 K854 G861 F862 A863 L885	Y566-L857 HydrophobicContact CD1-CD1 4.35Å; Y566-L857 HydrophobicContact CD1-CD2 3.74Å; Y566-L857 HydrophobicContact CD1-CG 3.95Å; Y566-L857 HydrophobicContact CE1-CD2 4.4Å; Y566-L857 HydrophobicContact CE1-CG 4.38Å; Y566-L857 HydrophobicContact CG-CD2 4.43Å; V569-L857 HydrophobicContact CB-CD1 4.41Å; V569-L857 HydrophobicContact CG1-CD1 3.68Å; L570-L857 HydrophobicContact CD1-CD2 4.03Å; L570-L857 HydrophobicContact CD2-CD1 3.9Å; L570-L857 HydrophobicContact CD2-CD2 4.04Å; L570-L857 HydrophobicContact CG-CD1 4.07Å; L570-L857 HydrophobicContact CG-CD2 4.06Å; R853-L857 WeakPolarHBondContact O-CG 3.5Å; R853-L857 PolarHBondContact O-N 3.48Å; K854-L857 PolarHBondContact O-N 3.01Å; L857-G861 PolarHBondContact O-N 3.3Å; L857-F862 HydrophobicContact CB-CB 4.24Å; L857-F862 HydrophobicContact CD2-CB 3.84Å; L857-F862 HydrophobicContact CD2-CG 4.19Å; L857-F862 PolarHBondContact O-N 3.03Å; L857-A863 HydrophobicContact CB-CB 4.5Å; L857-L885 HydrophobicContact CD2-CD2 3.72Å
858	R	96.9	Very high	95.1	Very high	98 Å²	98	51.7 Å²	51.7	37%	0.37	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-32.7	176.4	-68.9	169.1	-171.6	-174.5	12.1	113.7	K854 V856 A863 T864 S865 D867	K854-R858 WeakPolarHBondContact O-CB 3.32Å; K854-R858 WeakPolarHBondContact O-CD 3.45Å; K854-R858 WeakPolarHBondContact O-CG 3.45Å; K854-R858 PolarHBondContact O-N 3.37Å; V856-R858 VanDerWaalsContact C-N 3.29Å; V856-R858 PolarHBondContact O-N 3.48Å; R858-A863 WeakPolarHBondContact CA-O 3.47Å; R858-T864 WeakPolarHBondContact CG-O 3.26Å; R858-S865 PolarHBondContact NH1-O 2.89Å; R858-D867 IonicContact CZ-OD1 3.7Å; R858-D867 IonicContact NE-OD1 3.77Å; R858-D867 PolarHBondContact NE-OD1 3.41Å; R858-D867 IonicContact NH2-OD1 3.38Å; R858-D867 PolarHBondContact NH2-OD1 2.98Å; R858-D867 IonicContact NH2-OD2 2.63Å; R858-D867 PolarHBondContact NH2-OD2 3.35Å
859	R	95.9	Very high	95.4	Very high	123 Å²	123	47.2 Å²	47.2	46%	0.464	25%	0.246	S	C	.	.	H	α-helix	trans	-80.9	-28.5	179.7	-76.2	-172.7	73.5	-159.6	5.4	114.1	R855 V856 V944 E947	R855-R859 WeakPolarHBondContact O-CB 3.37Å; R855-R859 VanDerWaalsContact O-CG 3.31Å; R855-R859 WeakPolarHBondContact O-CG 3.38Å; R855-R859 PolarHBondContact O-N 3.39Å; V856-R859 PolarHBondContact O-N 2.67Å; R859-V944 HydrophobicContact CB-CG1 3.93Å; R859-V944 PolarHBondContact NH1-O 3.36Å; R859-E947 IonicContact CZ-OE2 3.84Å; R859-E947 IonicContact NH1-OE2 3.72Å; R859-E947 PolarHBondContact NH1-OE2 2.68Å; R859-E947 IonicContact NH2-OE2 3.73Å; R859-E947 PolarHBondContact NH2-OE2 2.61Å
860	L	96.1	Very high	95.5	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.052	25%	0.252	C	S	.	.	H	α-helix	trans	-91.4	-14.4	176.4	-61.7	175.2	0	0	0	112.9	V856 F862 K872 L885 I941 V944	V856-L860 HydrophobicContact CG1-CD1 3.79Å; V856-L860 HydrophobicContact CG1-CG 4.39Å; V856-L860 PolarHBondContact O-N 3.34Å; L860-F862 HydrophobicContact CB-CD2 3.61Å; L860-F862 HydrophobicContact CB-CE2 3.57Å; L860-F862 HydrophobicContact CD1-CE2 4.14Å; L860-K872 PolarHBondContact O-NZ 3.46Å; L860-L885 HydrophobicContact CD1-CD1 4.46Å; L860-I941 HydrophobicContact CD1-CG1 4.15Å; L860-I941 HydrophobicContact CD1-CG2 4.49Å; L860-V944 HydrophobicContact CD2-CB 4.4Å; L860-V944 HydrophobicContact CD2-CG1 4.14Å; L860-V944 HydrophobicContact CD2-CG2 4.22Å; L860-V944 HydrophobicContact CG-CG1 4.17Å
861	G	96.4	Very high	95.5	Very high	32 Å²	32	53 Å²	53	33%	0.33	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	27.1	175.4	0	0	0	0	0	114.7	L857 E870	L857-G861 PolarHBondContact O-N 3.3Å; G861-E870 WeakPolarHBondContact O-CB 3.43Å
862	F	97.5	Very high	95.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-84.3	-24.2	174.8	-69.7	-105.9	0	0	0	112.6	L570 L857 L860 E870 K872 G873 A876 L885 T888 E889	L570-F862 HydrophobicContact CD1-CD1 4.12Å; L570-F862 HydrophobicContact CD2-CB 4.09Å; L857-F862 HydrophobicContact CB-CB 4.24Å; L857-F862 HydrophobicContact CD2-CB 3.84Å; L857-F862 HydrophobicContact CD2-CG 4.19Å; L857-F862 PolarHBondContact O-N 3.03Å; L860-F862 HydrophobicContact CB-CD2 3.61Å; L860-F862 HydrophobicContact CB-CE2 3.57Å; L860-F862 HydrophobicContact CD1-CE2 4.14Å; F862-E870 PolarHBondContact O-N 3.04Å; F862-K872 HydrophobicContact CD1-CB 3.97Å; F862-K872 HydrophobicContact CD2-CB 4.5Å; F862-K872 HydrophobicContact CD2-CD 4.39Å; F862-K872 HydrophobicContact CE1-CB 4.3Å; F862-K872 HydrophobicContact CE2-CD 4.31Å; F862-K872 HydrophobicContact CG-CB 4.08Å; F862-G873 VanDerWaalsContact O-CA 3.26Å; F862-G873 WeakPolarHBondContact O-CA 3.3Å; F862-G873 PolarHBondContact O-N 2.79Å; F862-A876 HydrophobicContact CD1-CB 3.91Å; F862-A876 HydrophobicContact CE1-CB 3.8Å; F862-L885 HydrophobicContact CD1-CD2 3.99Å; F862-L885 HydrophobicContact CD2-CD2 4.24Å; F862-L885 HydrophobicContact CE1-CD2 3.75Å; F862-L885 HydrophobicContact CE2-CD2 4.03Å; F862-L885 HydrophobicContact CG-CD2 4.23Å; F862-L885 HydrophobicContact CZ-CB 4.35Å; F862-L885 HydrophobicContact CZ-CD2 3.78Å; F862-T888 HydrophobicContact CD1-CG2 4.48Å; F862-T888 HydrophobicContact CE1-CG2 3.57Å; F862-T888 HydrophobicContact CZ-CG2 3.95Å; F862-E889 HydrophobicContact CE2-CG 4.38Å; F862-E889 HydrophobicContact CZ-CG 4.39Å
863	A	96.7	Very high	95.6	Very high	4 Å²	4	49 Å²	49	3%	0.033	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-147.2	156.9	173.3	0	0	0	0	0	110.5	L573 L857 R858 V868	L573-A863 HydrophobicContact CD1-CB 4.36Å; L857-A863 HydrophobicContact CB-CB 4.5Å; R858-A863 WeakPolarHBondContact CA-O 3.47Å; A863-V868 CarbonylContact C-O 3.58Å; A863-V868 WeakPolarHBondContact CA-O 3.47Å
864	T	96.3	Very high	95.5	Very high	39 Å²	39	53 Å²	53	24%	0.239	27%	0.27	C	S	.	.			trans	-77.4	168.2	177	66	0	0	0	0	112.3	R858 S866 D867 V868 E870	R858-T864 WeakPolarHBondContact CG-O 3.26Å; T864-S866 PolarHBondContact O-N 3.46Å; T864-S866 VanDerWaalsContact O-N 3.12Å; T864-S866 PolarHBondContact OG1-N 3.46Å; T864-D867 PolarHBondContact O-N 3Å; T864-V868 HydrophobicContact CG2-CB 4.41Å; T864-V868 PolarHBondContact N-O 2.86Å; T864-V868 WeakPolarHBondContact OG1-CB 3.34Å; T864-V868 PolarHBondContact OG1-N 3.23Å; T864-V868 VanDerWaalsContact OG1-N 3.17Å; T864-V868 PolarHBondContact OG1-O 2.89Å; T864-E870 HydrophobicContact CG2-CG 3.99Å; T864-E870 WeakPolarHBondContact CG2-OE1 3.48Å
865	S	93.4	Very high	95.4	Very high	98 Å²	98	52.6 Å²	52.6	69%	0.685	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-18.6	172.9	-66.9	0	0	0	0	114.1	R858 D867	R858-S865 PolarHBondContact NH1-O 2.89Å; S865-D867 VanDerWaalsContact C-N 3.34Å
866	S	92.8	Very high	95.4	Very high	104 Å²	104	47.3 Å²	47.3	73%	0.727	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	16	176	-51.1	0	0	0	0	112.7	T864 V868	T864-S866 PolarHBondContact O-N 3.46Å; T864-S866 VanDerWaalsContact O-N 3.12Å; T864-S866 PolarHBondContact OG1-N 3.46Å; S866-V868 PolarHBondContact O-N 2.79Å
867	D	92.8	Very high	95.2	Very high	34 Å²	34	47.6 Å²	47.6	18%	0.182	25%	0.251	C	S	.	.	S	Bend	trans	60.1	8.4	-177.8	-74.1	-18.7	0	0	0	116.6	L573 K854 R858 T864 S865 I869	L573-D867 HydrophobicContact CD1-CB 4.27Å; L573-D867 HydrophobicContact CD2-CB 3.84Å; K854-D867 WeakPolarHBondContact CD-OD2 3.45Å; K854-D867 WeakPolarHBondContact CE-OD2 3.35Å; K854-D867 IonicContact NZ-OD2 2.7Å; K854-D867 PolarHBondContact NZ-OD2 3.44Å; R858-D867 IonicContact CZ-OD1 3.7Å; R858-D867 IonicContact NE-OD1 3.77Å; R858-D867 PolarHBondContact NE-OD1 3.41Å; R858-D867 IonicContact NH2-OD1 3.38Å; R858-D867 PolarHBondContact NH2-OD1 2.98Å; R858-D867 IonicContact NH2-OD2 2.63Å; R858-D867 PolarHBondContact NH2-OD2 3.35Å; T864-D867 PolarHBondContact O-N 3Å; S865-D867 VanDerWaalsContact C-N 3.34Å; D867-I869 PolarHBondContact O-N 3.14Å
868	V	93.8	Very high	95	Very high	90 Å²	90	49.2 Å²	49.2	55%	0.545	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-67.7	129.9	167.9	-175.3	0	0	0	0	109.9	A863 T864 S866	A863-V868 CarbonylContact C-O 3.58Å; A863-V868 WeakPolarHBondContact CA-O 3.47Å; T864-V868 HydrophobicContact CG2-CB 4.41Å; T864-V868 PolarHBondContact N-O 2.86Å; T864-V868 WeakPolarHBondContact OG1-CB 3.34Å; T864-V868 PolarHBondContact OG1-N 3.23Å; T864-V868 VanDerWaalsContact OG1-N 3.17Å; T864-V868 PolarHBondContact OG1-O 2.89Å; S866-V868 PolarHBondContact O-N 2.79Å
869	I	94.6	Very high	94.9	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.067	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-71.1	131.6	-178.6	-165.4	174	0	0	0	113.4	L570 R574 D867 R874 C877	L570-I869 HydrophobicContact CB-CD1 4.37Å; L570-I869 HydrophobicContact CD2-CD1 4.25Å; L570-I869 HydrophobicContact CD2-CG1 4.27Å; L570-I869 WeakPolarHBondContact O-CD1 3.49Å; R574-I869 HydrophobicContact CB-CD1 4.02Å; R574-I869 HydrophobicContact CB-CG2 4.48Å; R574-I869 HydrophobicContact CG-CD1 4.48Å; D867-I869 PolarHBondContact O-N 3.14Å; I869-R874 HydrophobicContact CD1-CG 4.28Å; I869-R874 HydrophobicContact CG1-CG 4.38Å; I869-R874 HydrophobicContact CG2-CG 4.32Å; I869-C877 VanDerWaalsContact CD1-SG 3.53Å
870	E	95.8	Very high	94.6	Very high	86 Å²	86	41.3 Å²	41.3	40%	0.402	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-89.9	171.8	178.8	-81.2	-68.9	176.3	0	0	112.6	G861 F862 T864 K872 G873 R874	G861-E870 WeakPolarHBondContact O-CB 3.43Å; F862-E870 PolarHBondContact O-N 3.04Å; T864-E870 HydrophobicContact CG2-CG 3.99Å; T864-E870 WeakPolarHBondContact CG2-OE1 3.48Å; E870-K872 VanDerWaalsContact C-N 3.29Å; E870-K872 PolarHBondContact O-N 3.18Å; E870-G873 WeakPolarHBondContact O-CA 3.29Å; E870-G873 PolarHBondContact O-N 3.43Å; E870-R874 PolarHBondContact O-N 3.34Å
871	M	93.8	Very high	94.1	Very high	94 Å²	94	42.5 Å²	42.5	46%	0.463	25%	0.246	S	C	.	.	H	α-helix	trans	-55.4	-40.7	176.5	-75	-60.1	-64.1	0	0	112.9	G873 R874 V875 A1012	M871-G873 VanDerWaalsContact C-N 3.33Å; M871-G873 PolarHBondContact O-N 3.25Å; M871-R874 PolarHBondContact O-N 2.92Å; M871-V875 VanDerWaalsContact O-CG2 3.28Å; M871-V875 WeakPolarHBondContact O-CG2 3.49Å; M871-V875 PolarHBondContact O-N 2.7Å; M871-A1012 WeakPolarHBondContact CE-O 2.97Å
872	K	95.7	Very high	93.9	Very high	38 Å²	38	41.7 Å²	41.7	17%	0.165	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-42.1	171.5	-78.5	-173	177	-174.6	0	112.4	L860 F862 E870 V875 A876 T888 E889 F892	L860-K872 PolarHBondContact O-NZ 3.46Å; F862-K872 HydrophobicContact CD1-CB 3.97Å; F862-K872 HydrophobicContact CD2-CB 4.5Å; F862-K872 HydrophobicContact CD2-CD 4.39Å; F862-K872 HydrophobicContact CE1-CB 4.3Å; F862-K872 HydrophobicContact CE2-CD 4.31Å; F862-K872 HydrophobicContact CG-CB 4.08Å; E870-K872 VanDerWaalsContact C-N 3.29Å; E870-K872 PolarHBondContact O-N 3.18Å; K872-V875 PolarHBondContact O-N 3.22Å; K872-A876 PolarHBondContact O-N 2.9Å; K872-A876 VanDerWaalsContact O-N 3.07Å; K872-T888 HydrophobicContact CB-CG2 4.21Å; K872-T888 HydrophobicContact CG-CG2 4.35Å; K872-E889 IonicContact NZ-OE1 3.18Å; K872-E889 PolarHBondContact NZ-OE1 2.7Å; K872-E889 IonicContact NZ-OE2 2.87Å; K872-F892 HydrophobicContact CB-CE2 4.45Å; K872-F892 HydrophobicContact CB-CZ 4.44Å; K872-F892 HydrophobicContact CD-CG 4.45Å; K872-F892 HydrophobicContact CG-CD1 3.88Å; K872-F892 HydrophobicContact CG-CD2 3.91Å; K872-F892 HydrophobicContact CG-CE1 3.76Å; K872-F892 HydrophobicContact CG-CE2 3.79Å; K872-F892 HydrophobicContact CG-CG 3.94Å; K872-F892 HydrophobicContact CG-CZ 3.71Å
873	G	95.6	Very high	93.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-44.7	177.7	0	0	0	0	0	112.1	F862 E870 M871 V875 A876 C877	F862-G873 VanDerWaalsContact O-CA 3.26Å; F862-G873 WeakPolarHBondContact O-CA 3.3Å; F862-G873 PolarHBondContact O-N 2.79Å; E870-G873 WeakPolarHBondContact O-CA 3.29Å; E870-G873 PolarHBondContact O-N 3.43Å; M871-G873 VanDerWaalsContact C-N 3.33Å; M871-G873 PolarHBondContact O-N 3.25Å; G873-V875 VanDerWaalsContact C-N 3.27Å; G873-V875 PolarHBondContact O-N 3.48Å; G873-A876 PolarHBondContact O-N 3.23Å; G873-C877 PolarHBondContact O-N 2.81Å; G873-C877 PolarHBondContact O-SG 2.97Å
874	R	93.3	Very high	93.7	Very high	129 Å²	129	44.2 Å²	44.2	49%	0.487	25%	0.248	S	C	.	.	H	α-helix	trans	-60.3	-35.9	177.2	-66.9	175.3	-179	-114.7	-5.5	112.6	I869 E870 M871 C877	I869-R874 HydrophobicContact CD1-CG 4.28Å; I869-R874 HydrophobicContact CG1-CG 4.38Å; I869-R874 HydrophobicContact CG2-CG 4.32Å; E870-R874 PolarHBondContact O-N 3.34Å; M871-R874 PolarHBondContact O-N 2.92Å; R874-C877 WeakPolarHBondContact O-CB 3.38Å
875	V	95	Very high	93.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-69	-47.2	176.6	175.1	0	0	0	0	111.2	M871 K872 G873 C877 E878 T888 M891 F892 A1009 A1012 I1013	M871-V875 VanDerWaalsContact O-CG2 3.28Å; M871-V875 WeakPolarHBondContact O-CG2 3.49Å; M871-V875 PolarHBondContact O-N 2.7Å; K872-V875 PolarHBondContact O-N 3.22Å; G873-V875 VanDerWaalsContact C-N 3.27Å; G873-V875 PolarHBondContact O-N 3.48Å; V875-C877 VanDerWaalsContact C-N 3.26Å; V875-C877 PolarHBondContact O-N 3.05Å; V875-E878 PolarHBondContact O-N 3.4Å; V875-T888 HydrophobicContact CB-CG2 4.2Å; V875-T888 HydrophobicContact CG1-CG2 4.02Å; V875-M891 HydrophobicContact CG1-SD 4.4Å; V875-F892 HydrophobicContact CB-CE2 4.32Å; V875-F892 HydrophobicContact CG1-CE2 4.36Å; V875-F892 HydrophobicContact CG2-CE2 4.05Å; V875-F892 HydrophobicContact CG2-CZ 4.32Å; V875-A1009 HydrophobicContact CG1-CB 3.75Å; V875-A1012 HydrophobicContact CG2-CB 4.29Å; V875-I1013 HydrophobicContact CG2-CG2 3.35Å
876	A	96.1	Very high	93.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-24.4	176	0	0	0	0	0	114.1	N567 L570 F862 K872 G873 E878 I879 E884	N567-A876 PolarHBondContact ND2-O 2.86Å; N567-A876 VanDerWaalsContact ND2-O 3.15Å; L570-A876 HydrophobicContact CD1-CB 3.64Å; F862-A876 HydrophobicContact CD1-CB 3.91Å; F862-A876 HydrophobicContact CE1-CB 3.8Å; K872-A876 PolarHBondContact O-N 2.9Å; K872-A876 VanDerWaalsContact O-N 3.07Å; G873-A876 PolarHBondContact O-N 3.23Å; A876-E878 PolarHBondContact O-N 3.07Å; A876-I879 PolarHBondContact O-N 3.37Å; A876-E884 HydrophobicContact CB-CB 4.18Å
877	C	94.4	Very high	94.1	Very high	7 Å²	7	32.8 Å²	32.8	5%	0.047	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-31	174	-67.7	0	0	0	0	113	N567 N571 R574 I869 G873 R874 V875	N567-C877 PolarHBondContact ND2-O 2.88Å; N571-C877 PolarHBondContact ND2-O 3.25Å; R574-C877 VanDerWaalsContact NH1-CB 3.32Å; I869-C877 VanDerWaalsContact CD1-SG 3.53Å; G873-C877 PolarHBondContact O-N 2.81Å; G873-C877 PolarHBondContact O-SG 2.97Å; R874-C877 WeakPolarHBondContact O-CB 3.38Å; V875-C877 VanDerWaalsContact C-N 3.26Å; V875-C877 PolarHBondContact O-N 3.05Å
878	E	92.8	Very high	94.2	Very high	34 Å²	34	31.2 Å²	31.2	16%	0.159	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.8	-178.9	-56.7	-56.9	125.9	0	0	113	R237 R574 V875 A876 Q1005 Q1008	R237-E878 IonicContact CZ-OE2 2.66Å; R237-E878 IonicContact NE-OE2 3.45Å; R237-E878 PolarHBondContact NE-OE2 2.68Å; R237-E878 IonicContact NH2-OE2 2.69Å; R237-E878 PolarHBondContact NH2-OE2 2.85Å; R574-E878 IonicContact CZ-OE1 2.67Å; R574-E878 IonicContact NH1-OE1 3.77Å; R574-E878 PolarHBondContact NH1-OE1 3.28Å; R574-E878 IonicContact NH2-OE1 2.67Å; V875-E878 PolarHBondContact O-N 3.4Å; A876-E878 PolarHBondContact O-N 3.07Å; E878-Q1005 VanDerWaalsContact O-CB 3.3Å; E878-Q1005 WeakPolarHBondContact O-CB 3.11Å; E878-Q1005 VanDerWaalsContact O-CG 3.28Å; E878-Q1005 WeakPolarHBondContact O-CG 3.36Å; E878-Q1008 HydrophobicContact CB-CB 4.35Å
879	I	94.1	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.			trans	-99.8	119.6	175.3	-56.2	175.7	0	0	0	108.6	N567 A876 E884 L887 L1002 M1006 A1009	N567-I879 PolarHBondContact ND2-O 2.95Å; A876-I879 PolarHBondContact O-N 3.37Å; I879-E884 HydrophobicContact CB-CB 4.23Å; I879-E884 HydrophobicContact CG2-CB 4.26Å; I879-L887 HydrophobicContact CD1-CB 3.93Å; I879-L887 HydrophobicContact CG2-CD1 3.75Å; I879-L1002 HydrophobicContact CG2-CD1 4.31Å; I879-M1006 HydrophobicContact CD1-SD 3.87Å; I879-M1006 HydrophobicContact CG1-SD 4.42Å; I879-A1009 HydrophobicContact CD1-CB 4.22Å; I879-A1009 HydrophobicContact CG1-CB 4.17Å
880	S	88.9	Confident	94.4	Very high	56 Å²	56	26.4 Å²	26.4	39%	0.392	13%	0.133	S	C	.	.			trans	-143.4	-8.3	-175.7	68.5	0	0	0	0	115.5	Q1005	S880-Q1005 PolarHBondContact OG-NE2 3.31Å; S880-Q1005 VanDerWaalsContact OG-NE2 3.1Å
881	S	86.1	Confident	94.4	Very high	34 Å²	34	22.7 Å²	22.7	24%	0.238	12%	0.115	C	C	.	.	S	Bend	trans	-97.6	7.8	177.3	-50.9	0	0	0	0	113.4	E1001 Q1005	S881-E1001 PolarHBondContact OG-OE1 3.02Å; S881-Q1005 PolarHBondContact OG-NE2 3.26Å
882	A	91.9	Very high	94.4	Very high	15 Å²	15	22.1 Å²	22.1	12%	0.124	11%	0.111	C	C	.	.	S	Bend	trans	-166.1	171.8	-174.5	0	0	0	0	0	111	E884 L887 F911 L1002	A882-E884 PolarHBondContact O-N 2.72Å; A882-L887 HydrophobicContact CB-CD1 3.56Å; A882-F911 HydrophobicContact CB-CB 3.77Å; A882-F911 HydrophobicContact CB-CD1 4.24Å; A882-F911 HydrophobicContact CB-CG 4.39Å; A882-L1002 HydrophobicContact CB-CD1 3.67Å; A882-L1002 HydrophobicContact CB-CD2 3.81Å; A882-L1002 HydrophobicContact CB-CG 4.38Å
883	D	95	Very high	94.4	Very high	34 Å²	34	24.4 Å²	24.4	18%	0.182	12%	0.124	C	C	.	.			trans	-58.3	104.2	178.6	-168.3	-60	0	0	0	112.8	L885 L886 L887 F911 Y957 F961	D883-L885 VanDerWaalsContact C-N 3.31Å; D883-L885 PolarHBondContact O-N 3Å; D883-L885 PolarHBondContact OD1-N 3.46Å; D883-L885 VanDerWaalsContact OD1-N 3.09Å; D883-L886 HydrophobicContact CB-CB 4.27Å; D883-L886 WeakPolarHBondContact OD1-CB 3.5Å; D883-L886 PolarHBondContact OD1-N 3.36Å; D883-L887 WeakPolarHBondContact O-CB 3.26Å; D883-L887 VanDerWaalsContact O-CG 3.29Å; D883-L887 WeakPolarHBondContact O-CG 3.26Å; D883-L887 PolarHBondContact O-N 3.02Å; D883-L887 VanDerWaalsContact O-N 3.16Å; D883-F911 HydrophobicContact CB-CD1 4.25Å; D883-F911 HydrophobicContact CB-CE1 4.33Å; D883-Y957 PolarHBondContact OD2-OH 2.7Å; D883-F961 HydrophobicContact CB-CE1 3.94Å; D883-F961 HydrophobicContact CB-CZ 4.04Å
884	E	95.2	Very high	94.3	Very high	24 Å²	24	25.1 Å²	25.1	11%	0.112	13%	0.132	C	C	.	.	H	α-helix	trans	-68.9	-25.4	-174.3	62.8	-87.1	-148.3	0	0	113.3	Y566 N567 A876 I879 A882 T888	Y566-E884 VanDerWaalsContact CA-OE1 3.26Å; Y566-E884 WeakPolarHBondContact CA-OE1 3.25Å; Y566-E884 VanDerWaalsContact CB-OE1 3.25Å; Y566-E884 WeakPolarHBondContact CB-OE1 3.02Å; Y566-E884 PolarHBondContact N-OE1 3.1Å; N567-E884 HydrophobicContact CB-CG 4.18Å; N567-E884 PolarHBondContact N-OE1 3.33Å; A876-E884 HydrophobicContact CB-CB 4.18Å; I879-E884 HydrophobicContact CB-CB 4.23Å; I879-E884 HydrophobicContact CG2-CB 4.26Å; A882-E884 PolarHBondContact O-N 2.72Å; E884-T888 VanDerWaalsContact O-CB 3.3Å; E884-T888 WeakPolarHBondContact O-CB 3.48Å; E884-T888 PolarHBondContact O-OG1 3.14Å
885	L	96.5	Very high	94.4	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-80.8	-49.8	177.8	-62.8	-171	0	0	0	111.2	Y566 V856 L857 L860 F862 D883 T888 E889 I941	Y566-L885 HydrophobicContact CD1-CD1 4.03Å; Y566-L885 HydrophobicContact CD2-CD1 3.51Å; Y566-L885 HydrophobicContact CD2-CG 3.88Å; Y566-L885 HydrophobicContact CE1-CD1 3.96Å; Y566-L885 HydrophobicContact CE2-CD1 3.45Å; Y566-L885 VanDerWaalsContact CE2-CD1 3.45Å; Y566-L885 HydrophobicContact CE2-CG 4.31Å; Y566-L885 HydrophobicContact CG-CD1 3.79Å; Y566-L885 HydrophobicContact CG-CD2 4.2Å; Y566-L885 HydrophobicContact CG-CG 4Å; V856-L885 HydrophobicContact CG1-CD1 4.12Å; L857-L885 HydrophobicContact CD2-CD2 3.72Å; L860-L885 HydrophobicContact CD1-CD1 4.46Å; F862-L885 HydrophobicContact CD1-CD2 3.99Å; F862-L885 HydrophobicContact CD2-CD2 4.24Å; F862-L885 HydrophobicContact CE1-CD2 3.75Å; F862-L885 HydrophobicContact CE2-CD2 4.03Å; F862-L885 HydrophobicContact CG-CD2 4.23Å; F862-L885 HydrophobicContact CZ-CB 4.35Å; F862-L885 HydrophobicContact CZ-CD2 3.78Å; D883-L885 VanDerWaalsContact C-N 3.31Å; D883-L885 PolarHBondContact O-N 3Å; D883-L885 PolarHBondContact OD1-N 3.46Å; D883-L885 VanDerWaalsContact OD1-N 3.09Å; L885-T888 PolarHBondContact O-N 2.76Å; L885-E889 PolarHBondContact O-N 2.69Å; L885-I941 HydrophobicContact CB-CD1 4.21Å; L885-I941 HydrophobicContact CD1-CG2 4.39Å
886	L	96.8	Very high	94.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66	-44.8	-176.7	178.8	56	0	0	0	111.3	D883 T888 E889 M890 F911 M934 C937 A938 I941 F961	D883-L886 HydrophobicContact CB-CB 4.27Å; D883-L886 WeakPolarHBondContact OD1-CB 3.5Å; D883-L886 PolarHBondContact OD1-N 3.36Å; L886-T888 VanDerWaalsContact C-N 3.34Å; L886-T888 PolarHBondContact O-N 2.87Å; L886-E889 PolarHBondContact O-N 2.71Å; L886-M890 HydrophobicContact CD1-CG 4.12Å; L886-M890 HydrophobicContact CD1-SD 3.89Å; L886-M890 HydrophobicContact CG-SD 3.82Å; L886-M890 WeakPolarHBondContact O-CB 3.31Å; L886-M890 WeakPolarHBondContact O-CG 3.49Å; L886-M890 PolarHBondContact O-N 3.24Å; L886-F911 HydrophobicContact CB-CE1 4.16Å; L886-F911 HydrophobicContact CD2-CE1 3.7Å; L886-F911 HydrophobicContact CD2-CZ 3.78Å; L886-F911 HydrophobicContact CG-CE1 3.88Å; L886-F911 HydrophobicContact CG-CZ 3.93Å; L886-M934 HydrophobicContact CD2-CG 4.36Å; L886-C937 HydrophobicContact CD1-CB 3.54Å; L886-A938 HydrophobicContact CD1-CB 4.16Å; L886-A938 HydrophobicContact CD2-CB 3.86Å; L886-I941 VanDerWaalsContact CA-CD1 3.48Å; L886-I941 HydrophobicContact CB-CD1 3.88Å; L886-I941 HydrophobicContact CD1-CD1 3.99Å; L886-F961 HydrophobicContact CD2-CD1 4.3Å; L886-F961 HydrophobicContact CD2-CD2 4.26Å; L886-F961 HydrophobicContact CD2-CE1 3.77Å; L886-F961 HydrophobicContact CD2-CE2 3.73Å; L886-F961 HydrophobicContact CD2-CZ 3.47Å; L886-F961 VanDerWaalsContact CD2-CZ 3.47Å
887	L	97	Very high	94.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.2	-41.7	177.1	-70.6	172.2	0	0	0	112.1	I879 A882 D883 M890 M891 F896 L908 F911 L1002 M1006	I879-L887 HydrophobicContact CD1-CB 3.93Å; I879-L887 HydrophobicContact CG2-CD1 3.75Å; A882-L887 HydrophobicContact CB-CD1 3.56Å; D883-L887 WeakPolarHBondContact O-CB 3.26Å; D883-L887 VanDerWaalsContact O-CG 3.29Å; D883-L887 WeakPolarHBondContact O-CG 3.26Å; D883-L887 PolarHBondContact O-N 3.02Å; D883-L887 VanDerWaalsContact O-N 3.16Å; L887-M890 PolarHBondContact O-N 2.78Å; L887-M891 WeakPolarHBondContact O-CG 3.48Å; L887-M891 PolarHBondContact O-N 3.37Å; L887-F896 HydrophobicContact CD2-CZ 4.37Å; L887-L908 HydrophobicContact CD2-CD2 3.4Å; L887-F911 HydrophobicContact CD1-CD1 4.06Å; L887-F911 HydrophobicContact CD1-CE1 4.32Å; L887-F911 HydrophobicContact CD2-CD1 3.91Å; L887-F911 HydrophobicContact CD2-CD2 4.08Å; L887-F911 HydrophobicContact CD2-CE1 3.59Å; L887-F911 HydrophobicContact CD2-CE2 3.78Å; L887-F911 HydrophobicContact CD2-CG 4.16Å; L887-F911 HydrophobicContact CD2-CZ 3.54Å; L887-F911 HydrophobicContact CG-CD1 3.83Å; L887-F911 HydrophobicContact CG-CE1 3.58Å; L887-F911 HydrophobicContact CG-CG 4.47Å; L887-F911 HydrophobicContact CG-CZ 4.05Å; L887-L1002 HydrophobicContact CD1-CD1 3.82Å; L887-L1002 HydrophobicContact CD1-CD2 4.37Å; L887-M1006 HydrophobicContact CB-SD 4.2Å; L887-M1006 HydrophobicContact CD1-SD 4.18Å; L887-M1006 HydrophobicContact CD2-CE 4.41Å; L887-M1006 HydrophobicContact CD2-SD 4.35Å; L887-M1006 HydrophobicContact CG-SD 4.5Å
888	T	96.8	Very high	94.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.2	-42.1	177.3	-56	0	0	0	0	111.9	F862 K872 V875 E884 L885 L886 M890 M891 F892	F862-T888 HydrophobicContact CD1-CG2 4.48Å; F862-T888 HydrophobicContact CE1-CG2 3.57Å; F862-T888 HydrophobicContact CZ-CG2 3.95Å; K872-T888 HydrophobicContact CB-CG2 4.21Å; K872-T888 HydrophobicContact CG-CG2 4.35Å; V875-T888 HydrophobicContact CB-CG2 4.2Å; V875-T888 HydrophobicContact CG1-CG2 4.02Å; E884-T888 VanDerWaalsContact O-CB 3.3Å; E884-T888 WeakPolarHBondContact O-CB 3.48Å; E884-T888 PolarHBondContact O-OG1 3.14Å; L885-T888 PolarHBondContact O-N 2.76Å; L886-T888 VanDerWaalsContact C-N 3.34Å; L886-T888 PolarHBondContact O-N 2.87Å; T888-M890 VanDerWaalsContact C-N 3.31Å; T888-M890 PolarHBondContact O-N 2.95Å; T888-M891 PolarHBondContact O-N 3.47Å; T888-F892 HydrophobicContact CG2-CD2 3.76Å; T888-F892 HydrophobicContact CG2-CE2 3.86Å; T888-F892 WeakPolarHBondContact O-CD2 3.43Å; T888-F892 PolarHBondContact O-N 2.93Å
889	E	96.3	Very high	94.4	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.009	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-42.7	172.1	-79.6	-65.7	121.2	0	0	111.1	F862 K872 L885 L886 M891 F892 N893 R940 I941	F862-E889 HydrophobicContact CE2-CG 4.38Å; F862-E889 HydrophobicContact CZ-CG 4.39Å; K872-E889 IonicContact NZ-OE1 3.18Å; K872-E889 PolarHBondContact NZ-OE1 2.7Å; K872-E889 IonicContact NZ-OE2 2.87Å; L885-E889 PolarHBondContact O-N 2.69Å; L886-E889 PolarHBondContact O-N 2.71Å; E889-M891 PolarHBondContact O-N 3.4Å; E889-F892 PolarHBondContact O-N 3.4Å; E889-N893 VanDerWaalsContact O-CB 3.23Å; E889-N893 WeakPolarHBondContact O-CB 2.96Å; E889-N893 PolarHBondContact O-N 2.88Å; E889-N893 PolarHBondContact O-ND2 2.74Å; E889-R940 IonicContact OE2-CZ 3.93Å; E889-R940 IonicContact OE2-NH1 3.31Å; E889-R940 PolarHBondContact OE2-NH1 2.95Å; E889-R940 IonicContact OE2-NH2 2.74Å; E889-I941 HydrophobicContact CB-CD1 4.34Å; E889-I941 HydrophobicContact CG-CD1 4.03Å; E889-I941 HydrophobicContact CG-CG1 4.42Å
890	M	96.1	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-38.9	177.6	-70.8	166.5	63.1	0	0	112.7	L886 L887 T888 G894 L895 F896 L907 F911 M934 C937	L886-M890 HydrophobicContact CD1-CG 4.12Å; L886-M890 HydrophobicContact CD1-SD 3.89Å; L886-M890 HydrophobicContact CG-SD 3.82Å; L886-M890 WeakPolarHBondContact O-CB 3.31Å; L886-M890 WeakPolarHBondContact O-CG 3.49Å; L886-M890 PolarHBondContact O-N 3.24Å; L887-M890 PolarHBondContact O-N 2.78Å; T888-M890 VanDerWaalsContact C-N 3.31Å; T888-M890 PolarHBondContact O-N 2.95Å; M890-G894 PolarHBondContact O-N 3.29Å; M890-L895 HydrophobicContact CB-CB 4.35Å; M890-L895 HydrophobicContact CB-CD1 4.49Å; M890-L895 HydrophobicContact CE-CD1 4.01Å; M890-L895 HydrophobicContact CE-CD2 3.9Å; M890-L895 HydrophobicContact CG-CD1 4.15Å; M890-L895 WeakPolarHBondContact O-CB 3.1Å; M890-L895 PolarHBondContact O-N 3.24Å; M890-F896 HydrophobicContact CB-CD2 4.32Å; M890-F896 HydrophobicContact CB-CE2 3.71Å; M890-F896 HydrophobicContact CB-CZ 4.44Å; M890-F896 HydrophobicContact CE-CE1 4.45Å; M890-F896 HydrophobicContact CE-CE2 4.15Å; M890-F896 HydrophobicContact CE-CZ 3.76Å; M890-L907 HydrophobicContact CE-CD2 3.55Å; M890-L907 HydrophobicContact CE-CG 4.2Å; M890-F911 HydrophobicContact CE-CE2 4.47Å; M890-F911 HydrophobicContact CE-CZ 4.37Å; M890-F911 HydrophobicContact SD-CE2 4.45Å; M890-F911 HydrophobicContact SD-CZ 3.79Å; M890-M934 HydrophobicContact CE-CB 4.01Å; M890-M934 HydrophobicContact CE-CG 3.85Å; M890-M934 HydrophobicContact SD-CB 4.26Å; M890-M934 HydrophobicContact SD-CG 3.73Å; M890-C937 HydrophobicContact CG-CB 4.25Å
891	M	95.2	Very high	94.8	Very high	8 Å²	8	29 Å²	29	4%	0.039	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-49	172.4	-72	178.9	71.9	0	0	112	V875 L887 T888 E889 N893 G894 F896 M1006 A1009 A1010 I1013 L1018 F1022	V875-M891 HydrophobicContact CG1-SD 4.4Å; L887-M891 WeakPolarHBondContact O-CG 3.48Å; L887-M891 PolarHBondContact O-N 3.37Å; T888-M891 PolarHBondContact O-N 3.47Å; E889-M891 PolarHBondContact O-N 3.4Å; M891-N893 PolarHBondContact O-N 3.47Å; M891-G894 PolarHBondContact O-N 3.04Å; M891-F896 HydrophobicContact CG-CD2 3.82Å; M891-F896 HydrophobicContact CG-CE2 4.01Å; M891-M1006 HydrophobicContact CG-CE 3.75Å; M891-M1006 HydrophobicContact SD-CE 3.48Å; M891-M1006 WeakPolarHBondContact SD-CE 3.33Å; M891-M1006 HydrophobicContact SD-SD 4.27Å; M891-A1009 HydrophobicContact CE-CB 4.09Å; M891-A1009 HydrophobicContact SD-CB 4.05Å; M891-A1010 HydrophobicContact CE-CB 4.11Å; M891-I1013 HydrophobicContact CE-CD1 4.19Å; M891-L1018 HydrophobicContact CE-CD1 4.33Å; M891-F1022 HydrophobicContact CE-CE2 4.41Å
892	F	94.8	Very high	95.3	Very high	83 Å²	83	29.1 Å²	29.1	36%	0.364	16%	0.159	S	C	.	.	H	α-helix	trans	-73.3	-24.2	-177.8	-84.5	-101.3	0	0	0	113.8	K872 V875 T888 E889 G894 I1013	K872-F892 HydrophobicContact CB-CE2 4.45Å; K872-F892 HydrophobicContact CB-CZ 4.44Å; K872-F892 HydrophobicContact CD-CG 4.45Å; K872-F892 HydrophobicContact CG-CD1 3.88Å; K872-F892 HydrophobicContact CG-CD2 3.91Å; K872-F892 HydrophobicContact CG-CE1 3.76Å; K872-F892 HydrophobicContact CG-CE2 3.79Å; K872-F892 HydrophobicContact CG-CG 3.94Å; K872-F892 HydrophobicContact CG-CZ 3.71Å; V875-F892 HydrophobicContact CB-CE2 4.32Å; V875-F892 HydrophobicContact CG1-CE2 4.36Å; V875-F892 HydrophobicContact CG2-CE2 4.05Å; V875-F892 HydrophobicContact CG2-CZ 4.32Å; T888-F892 HydrophobicContact CG2-CD2 3.76Å; T888-F892 HydrophobicContact CG2-CE2 3.86Å; T888-F892 WeakPolarHBondContact O-CD2 3.43Å; T888-F892 PolarHBondContact O-N 2.93Å; E889-F892 PolarHBondContact O-N 3.4Å; F892-G894 PolarHBondContact O-N 3.26Å; F892-I1013 HydrophobicContact CE2-CG2 4.07Å; F892-I1013 HydrophobicContact CZ-CG2 3.79Å
893	N	94	Very high	95.5	Very high	85 Å²	85	30 Å²	30	46%	0.455	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2	169.2	-64.5	-30.5	0	0	0	112.5	E889 M891 L895	E889-N893 VanDerWaalsContact O-CB 3.23Å; E889-N893 WeakPolarHBondContact O-CB 2.96Å; E889-N893 PolarHBondContact O-N 2.88Å; E889-N893 PolarHBondContact O-ND2 2.74Å; M891-N893 PolarHBondContact O-N 3.47Å; N893-L895 VanDerWaalsContact C-N 3.33Å; N893-L895 PolarHBondContact O-N 3.05Å
894	G	93.7	Very high	95.6	Very high	16 Å²	16	28.5 Å²	28.5	17%	0.165	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	9.6	175.9	0	0	0	0	0	115.5	M890 M891 F892 F896 N897	M890-G894 PolarHBondContact O-N 3.29Å; M891-G894 PolarHBondContact O-N 3.04Å; F892-G894 PolarHBondContact O-N 3.26Å; G894-F896 VanDerWaalsContact C-N 3.26Å; G894-F896 PolarHBondContact O-N 3.48Å; G894-N897 WeakPolarHBondContact O-CB 3.18Å; G894-N897 VanDerWaalsContact O-CG 3.27Å; G894-N897 PolarHBondContact O-N 3.15Å
895	L	95.3	Very high	95.7	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.068	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-40.5	-173.9	-175.8	155.7	0	0	0	112.3	M890 N893 N897 L899 L907 Q933	M890-L895 HydrophobicContact CB-CB 4.35Å; M890-L895 HydrophobicContact CB-CD1 4.49Å; M890-L895 HydrophobicContact CE-CD1 4.01Å; M890-L895 HydrophobicContact CE-CD2 3.9Å; M890-L895 HydrophobicContact CG-CD1 4.15Å; M890-L895 WeakPolarHBondContact O-CB 3.1Å; M890-L895 PolarHBondContact O-N 3.24Å; N893-L895 VanDerWaalsContact C-N 3.33Å; N893-L895 PolarHBondContact O-N 3.05Å; L895-N897 VanDerWaalsContact C-N 3.25Å; L895-N897 PolarHBondContact O-N 3.04Å; L895-L899 HydrophobicContact CD2-CD1 3.85Å; L895-L907 HydrophobicContact CD2-CD2 3.53Å; L895-Q933 HydrophobicContact CD1-CB 3.61Å
896	F	96.4	Very high	95.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.8	179.8	-65.2	-74	0	0	0	114.3	L887 M890 M891 G894 L899 A904 L907 L908 M1006 L1018 K1021 F1022	L887-F896 HydrophobicContact CD2-CZ 4.37Å; M890-F896 HydrophobicContact CB-CD2 4.32Å; M890-F896 HydrophobicContact CB-CE2 3.71Å; M890-F896 HydrophobicContact CB-CZ 4.44Å; M890-F896 HydrophobicContact CE-CE1 4.45Å; M890-F896 HydrophobicContact CE-CE2 4.15Å; M890-F896 HydrophobicContact CE-CZ 3.76Å; M891-F896 HydrophobicContact CG-CD2 3.82Å; M891-F896 HydrophobicContact CG-CE2 4.01Å; G894-F896 VanDerWaalsContact C-N 3.26Å; G894-F896 PolarHBondContact O-N 3.48Å; F896-L899 HydrophobicContact CD1-CD1 4.2Å; F896-A904 HydrophobicContact CD1-CB 3.98Å; F896-A904 HydrophobicContact CE1-CB 4.46Å; F896-L907 HydrophobicContact CE1-CD2 4.43Å; F896-L908 HydrophobicContact CE1-CD2 4.19Å; F896-L908 HydrophobicContact CE1-CG 4.16Å; F896-L908 HydrophobicContact CZ-CD2 3.91Å; F896-L908 HydrophobicContact CZ-CG 4.39Å; F896-M1006 HydrophobicContact CD2-CE 4.4Å; F896-M1006 HydrophobicContact CE2-CE 3.8Å; F896-M1006 HydrophobicContact CZ-CE 4.04Å; F896-L1018 HydrophobicContact CB-CD2 3.77Å; F896-K1021 PolarHBondContact O-NZ 3.49Å; F896-F1022 HydrophobicContact CB-CZ 4.11Å; F896-F1022 AromaticContact CD1-CE1 3.93Å; F896-F1022 HydrophobicContact CD1-CE1 3.93Å; F896-F1022 AromaticContact CD1-CZ 3.99Å; F896-F1022 HydrophobicContact CD1-CZ 3.99Å; F896-F1022 HydrophobicContact CD2-CZ 4.1Å; F896-F1022 HydrophobicContact CE1-CE1 4.22Å; F896-F1022 HydrophobicContact CE1-CZ 4.42Å; F896-F1022 HydrophobicContact CG-CE1 4.23Å; F896-F1022 AromaticContact CG-CZ 3.82Å; F896-F1022 HydrophobicContact CG-CZ 3.82Å
897	N	94	Very high	95.7	Very high	81 Å²	81	27.3 Å²	27.3	43%	0.433	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-42.6	-176.7	-62.7	-10	0	0	0	111.7	G894 L895 K1021	G894-N897 WeakPolarHBondContact O-CB 3.18Å; G894-N897 VanDerWaalsContact O-CG 3.27Å; G894-N897 PolarHBondContact O-N 3.15Å; L895-N897 VanDerWaalsContact C-N 3.25Å; L895-N897 PolarHBondContact O-N 3.04Å; N897-K1021 PolarHBondContact O-NZ 2.77Å
898	D	92.1	Very high	95.7	Very high	156 Å²	156	27.3 Å²	27.3	83%	0.834	15%	0.147	S	C	*	.	S	Bend	trans	-86.7	-12.2	-175.5	-62.6	-29.9	0	0	0	113.8
899	L	95.8	Very high	95.7	Very high	17 Å²	17	27.3 Å²	27.3	9%	0.089	15%	0.147	C	C	.	.	S	Bend	trans	-78.2	149	-178.8	-58.4	-172.7	0	0	0	112.9	L895 F896 Q903 A904 L907 P930 K1021	L895-L899 HydrophobicContact CD2-CD1 3.85Å; F896-L899 HydrophobicContact CD1-CD1 4.2Å; L899-Q903 HydrophobicContact CB-CB 4.04Å; L899-Q903 HydrophobicContact CD2-CB 4.35Å; L899-A904 HydrophobicContact CB-CB 4.31Å; L899-A904 HydrophobicContact CD1-CB 4.33Å; L899-L907 HydrophobicContact CD1-CD2 4.16Å; L899-P930 HydrophobicContact CD1-CB 4.37Å; L899-P930 HydrophobicContact CD2-CB 4.09Å; L899-P930 HydrophobicContact CD2-CG 3.59Å; L899-K1021 WeakPolarHBondContact O-CD 3.47Å; L899-K1021 WeakPolarHBondContact O-CE 3.26Å; L899-K1021 PolarHBondContact O-NZ 3.1Å
900	S	96.2	Very high	95.6	Very high	37 Å²	37	27.3 Å²	27.3	26%	0.259	15%	0.147	S	C	.	.			trans	-68.7	163.5	161.7	92.4	0	0	0	0	111.5	E902 Q903 A904	S900-E902 VanDerWaalsContact C-N 3.26Å; S900-E902 WeakPolarHBondContact CB-OE2 3.42Å; S900-E902 PolarHBondContact O-N 3.48Å; S900-E902 PolarHBondContact OG-N 2.83Å; S900-E902 PolarHBondContact OG-OE2 3.3Å; S900-Q903 PolarHBondContact O-N 2.97Å; S900-Q903 PolarHBondContact OG-N 2.96Å; S900-Q903 VanDerWaalsContact OG-N 3.13Å; S900-A904 WeakPolarHBondContact O-CB 3.21Å; S900-A904 PolarHBondContact O-N 3.28Å
901	A	96.6	Very high	95.6	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-36.9	175.9	0	0	0	0	0	112.2	T905 K1021 E1024 K1028	A901-T905 WeakPolarHBondContact O-CB 3.06Å; A901-T905 PolarHBondContact O-N 3.13Å; A901-T905 PolarHBondContact O-OG1 3.1Å; A901-K1021 HydrophobicContact CB-CG 4.27Å; A901-E1024 HydrophobicContact CB-CB 4.13Å; A901-E1024 HydrophobicContact CB-CG 4.08Å; A901-K1028 HydrophobicContact CB-CD 4.48Å
902	E	96.6	Very high	95.5	Very high	36 Å²	36	28.1 Å²	28.1	17%	0.168	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-44.2	175.2	-53	86.6	168.1	0	0	111.7	S900 T905 A906 Y970 A973 T974 K1028	S900-E902 VanDerWaalsContact C-N 3.26Å; S900-E902 WeakPolarHBondContact CB-OE2 3.42Å; S900-E902 PolarHBondContact O-N 3.48Å; S900-E902 PolarHBondContact OG-N 2.83Å; S900-E902 PolarHBondContact OG-OE2 3.3Å; E902-T905 PolarHBondContact O-N 3.39Å; E902-A906 VanDerWaalsContact O-CB 3.24Å; E902-A906 WeakPolarHBondContact O-CB 3.45Å; E902-A906 PolarHBondContact O-N 3.01Å; E902-Y970 HydrophobicContact CB-CD2 3.71Å; E902-Y970 HydrophobicContact CB-CE2 3.66Å; E902-A973 HydrophobicContact CB-CB 3.87Å; E902-A973 HydrophobicContact CG-CB 3.8Å; E902-T974 HydrophobicContact CB-CG2 4.42Å; E902-T974 HydrophobicContact CG-CG2 3.97Å; E902-K1028 VanDerWaalsContact CD-NZ 3.3Å; E902-K1028 HydrophobicContact CG-CD 4.01Å; E902-K1028 WeakPolarHBondContact OE1-CE 3.47Å; E902-K1028 IonicContact OE1-NZ 3.48Å; E902-K1028 PolarHBondContact OE1-NZ 2.92Å; E902-K1028 IonicContact OE2-NZ 3.13Å
903	Q	96.3	Very high	95.4	Very high	34 Å²	34	24.5 Å²	24.5	16%	0.159	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-43.3	177.4	-71.2	175.8	-49.5	0	0	112.1	L899 S900 A906 L907 Q926 Y970	L899-Q903 HydrophobicContact CB-CB 4.04Å; L899-Q903 HydrophobicContact CD2-CB 4.35Å; S900-Q903 PolarHBondContact O-N 2.97Å; S900-Q903 PolarHBondContact OG-N 2.96Å; S900-Q903 VanDerWaalsContact OG-N 3.13Å; Q903-A906 PolarHBondContact O-N 2.88Å; Q903-L907 WeakPolarHBondContact O-CB 3.41Å; Q903-L907 PolarHBondContact O-N 3.3Å; Q903-Q926 PolarHBondContact NE2-O 3.36Å; Q903-Q926 VanDerWaalsContact NE2-O 3.09Å; Q903-Y970 HydrophobicContact CG-CD2 4.49Å; Q903-Y970 HydrophobicContact CG-CE2 3.95Å
904	A	96.9	Very high	94.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-45.7	175.7	0	0	0	0	0	111.1	F896 L899 S900 L907 L908 F1022	F896-A904 HydrophobicContact CD1-CB 3.98Å; F896-A904 HydrophobicContact CE1-CB 4.46Å; L899-A904 HydrophobicContact CB-CB 4.31Å; L899-A904 HydrophobicContact CD1-CB 4.33Å; S900-A904 WeakPolarHBondContact O-CB 3.21Å; S900-A904 PolarHBondContact O-N 3.28Å; A904-L907 PolarHBondContact O-N 3Å; A904-L908 VanDerWaalsContact O-CG 3.29Å; A904-L908 WeakPolarHBondContact O-CG 3.37Å; A904-L908 PolarHBondContact O-N 2.88Å; A904-F1022 HydrophobicContact CB-CE1 4.41Å
905	T	96.9	Very high	94.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-42.2	177.3	-60	0	0	0	0	112.1	A901 E902 L908 S909 V969 L999 L1003 G1025 I1029	A901-T905 WeakPolarHBondContact O-CB 3.06Å; A901-T905 PolarHBondContact O-N 3.13Å; A901-T905 PolarHBondContact O-OG1 3.1Å; E902-T905 PolarHBondContact O-N 3.39Å; T905-L908 PolarHBondContact O-N 3.44Å; T905-S909 PolarHBondContact O-N 3.48Å; T905-V969 HydrophobicContact CG2-CG1 3.87Å; T905-L999 HydrophobicContact CG2-CD2 3.75Å; T905-L999 HydrophobicContact CG2-CG 4.3Å; T905-L1003 HydrophobicContact CG2-CD1 4.11Å; T905-G1025 WeakPolarHBondContact OG1-CA 3.39Å; T905-I1029 HydrophobicContact CG2-CD1 4.47Å; T905-I1029 HydrophobicContact CG2-CG2 3.6Å
906	A	96.6	Very high	93.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-42.5	174.5	0	0	0	0	0	112.3	E902 Q903 S909 L927 M966 Y970	E902-A906 VanDerWaalsContact O-CB 3.24Å; E902-A906 WeakPolarHBondContact O-CB 3.45Å; E902-A906 PolarHBondContact O-N 3.01Å; Q903-A906 PolarHBondContact O-N 2.88Å; A906-S909 VanDerWaalsContact O-CB 3.31Å; A906-S909 WeakPolarHBondContact O-CB 3.36Å; A906-S909 PolarHBondContact O-N 2.83Å; A906-S909 PolarHBondContact O-OG 3.29Å; A906-L927 HydrophobicContact CB-CD2 3.93Å; A906-M966 WeakPolarHBondContact CB-O 3.24Å; A906-Y970 HydrophobicContact CB-CD2 4.43Å
907	L	96.8	Very high	92.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-39.4	177.1	-172.3	64	0	0	0	112.6	M890 L895 F896 L899 Q903 A904 S909 C910 P930 M934 M966	M890-L907 HydrophobicContact CE-CD2 3.55Å; M890-L907 HydrophobicContact CE-CG 4.2Å; L895-L907 HydrophobicContact CD2-CD2 3.53Å; F896-L907 HydrophobicContact CE1-CD2 4.43Å; L899-L907 HydrophobicContact CD1-CD2 4.16Å; Q903-L907 WeakPolarHBondContact O-CB 3.41Å; Q903-L907 PolarHBondContact O-N 3.3Å; A904-L907 PolarHBondContact O-N 3Å; L907-S909 PolarHBondContact O-N 2.88Å; L907-C910 WeakPolarHBondContact O-CB 3.37Å; L907-C910 PolarHBondContact O-N 2.74Å; L907-P930 HydrophobicContact CD1-CB 4.33Å; L907-P930 HydrophobicContact CD2-CB 3.99Å; L907-M934 HydrophobicContact CD1-CB 4.09Å; L907-M934 HydrophobicContact CD1-CG 4.46Å; L907-M934 HydrophobicContact CD1-SD 3.85Å; L907-M934 HydrophobicContact CG-SD 4.44Å; L907-M966 HydrophobicContact CD1-CE 3.97Å
908	L	97.3	Very high	91.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-22.2	176	-71.6	170.3	0	0	0	112.9	L887 F896 A904 T905 C910 F911 L999 L1002 L1003 M1006 F1022	L887-L908 HydrophobicContact CD2-CD2 3.4Å; F896-L908 HydrophobicContact CE1-CD2 4.19Å; F896-L908 HydrophobicContact CE1-CG 4.16Å; F896-L908 HydrophobicContact CZ-CD2 3.91Å; F896-L908 HydrophobicContact CZ-CG 4.39Å; A904-L908 VanDerWaalsContact O-CG 3.29Å; A904-L908 WeakPolarHBondContact O-CG 3.37Å; A904-L908 PolarHBondContact O-N 2.88Å; T905-L908 PolarHBondContact O-N 3.44Å; L908-C910 PolarHBondContact O-N 2.63Å; L908-F911 PolarHBondContact O-N 3.1Å; L908-L999 HydrophobicContact CB-CD1 3.54Å; L908-L1002 HydrophobicContact CB-CD2 4.27Å; L908-L1002 HydrophobicContact CD2-CD2 4.09Å; L908-L1003 HydrophobicContact CD1-CD2 3.53Å; L908-L1003 HydrophobicContact CD1-CG 4.24Å; L908-M1006 HydrophobicContact CD1-CG 4.21Å; L908-M1006 HydrophobicContact CD2-CE 4.29Å; L908-M1006 HydrophobicContact CD2-CG 4.29Å; L908-M1006 HydrophobicContact CD2-SD 4.43Å; L908-F1022 HydrophobicContact CD1-CD1 4.14Å; L908-F1022 HydrophobicContact CD1-CE1 3.94Å
909	S	96	Very high	90.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-30.3	174.3	78.6	0	0	0	0	113.4	T905 A906 L907 F911 V912 F913	T905-S909 PolarHBondContact O-N 3.48Å; A906-S909 VanDerWaalsContact O-CB 3.31Å; A906-S909 WeakPolarHBondContact O-CB 3.36Å; A906-S909 PolarHBondContact O-N 2.83Å; A906-S909 PolarHBondContact O-OG 3.29Å; L907-S909 PolarHBondContact O-N 2.88Å; S909-F911 PolarHBondContact O-N 3.18Å; S909-F911 VanDerWaalsContact O-N 3.13Å; S909-V912 PolarHBondContact O-N 2.69Å; S909-F913 WeakPolarHBondContact O-CB 3.36Å; S909-F913 PolarHBondContact O-N 3.46Å; S909-F913 VanDerWaalsContact O-N 3.13Å
910	C	95.1	Very high	89.1	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-60.6	-22.5	179	-63.5	0	0	0	0	113.9	L907 L908 M934 F961 K962 M966	L907-C910 WeakPolarHBondContact O-CB 3.37Å; L907-C910 PolarHBondContact O-N 2.74Å; L908-C910 PolarHBondContact O-N 2.63Å; C910-M934 HydrophobicContact CB-CE 4.35Å; C910-M934 HydrophobicContact CB-SD 4.04Å; C910-F961 HydrophobicContact CB-CB 4.47Å; C910-F961 WeakPolarHBondContact O-CA 3.38Å; C910-K962 PolarHBondContact O-N 2.87Å; C910-M966 VanDerWaalsContact SG-CG 3.51Å
911	F	95	Very high	88	Confident	22 Å²	22	37.1 Å²	37.1	10%	0.096	20%	0.196	C	C	.	.	H	α-helix	trans	-90.6	-27.6	-176.3	-67.3	-102.7	0	0	0	113.1	A882 D883 L886 L887 M890 L908 S909 M934 F961 L1002	A882-F911 HydrophobicContact CB-CB 3.77Å; A882-F911 HydrophobicContact CB-CD1 4.24Å; A882-F911 HydrophobicContact CB-CG 4.39Å; D883-F911 HydrophobicContact CB-CD1 4.25Å; D883-F911 HydrophobicContact CB-CE1 4.33Å; L886-F911 HydrophobicContact CB-CE1 4.16Å; L886-F911 HydrophobicContact CD2-CE1 3.7Å; L886-F911 HydrophobicContact CD2-CZ 3.78Å; L886-F911 HydrophobicContact CG-CE1 3.88Å; L886-F911 HydrophobicContact CG-CZ 3.93Å; L887-F911 HydrophobicContact CD1-CD1 4.06Å; L887-F911 HydrophobicContact CD1-CE1 4.32Å; L887-F911 HydrophobicContact CD2-CD1 3.91Å; L887-F911 HydrophobicContact CD2-CD2 4.08Å; L887-F911 HydrophobicContact CD2-CE1 3.59Å; L887-F911 HydrophobicContact CD2-CE2 3.78Å; L887-F911 HydrophobicContact CD2-CG 4.16Å; L887-F911 HydrophobicContact CD2-CZ 3.54Å; L887-F911 HydrophobicContact CG-CD1 3.83Å; L887-F911 HydrophobicContact CG-CE1 3.58Å; L887-F911 HydrophobicContact CG-CG 4.47Å; L887-F911 HydrophobicContact CG-CZ 4.05Å; M890-F911 HydrophobicContact CE-CE2 4.47Å; M890-F911 HydrophobicContact CE-CZ 4.37Å; M890-F911 HydrophobicContact SD-CE2 4.45Å; M890-F911 HydrophobicContact SD-CZ 3.79Å; L908-F911 PolarHBondContact O-N 3.1Å; S909-F911 PolarHBondContact O-N 3.18Å; S909-F911 VanDerWaalsContact O-N 3.13Å; F911-M934 HydrophobicContact CE2-CG 4.23Å; F911-M934 HydrophobicContact CE2-SD 3.62Å; F911-M934 HydrophobicContact CZ-CG 4.08Å; F911-M934 HydrophobicContact CZ-SD 3.97Å; F911-F961 AromaticContact CD1-CD1 3.89Å; F911-F961 HydrophobicContact CD1-CD1 3.89Å; F911-F961 AromaticContact CD1-CE1 3.65Å; F911-F961 HydrophobicContact CD1-CE1 3.65Å; F911-F961 AromaticContact CE1-CD1 3.98Å; F911-F961 HydrophobicContact CE1-CD1 3.98Å; F911-F961 AromaticContact CE1-CE1 3.65Å; F911-F961 HydrophobicContact CE1-CE1 3.65Å; F911-F961 HydrophobicContact CG-CD1 4.27Å; F911-F961 HydrophobicContact CG-CE1 4.46Å; F911-F961 HydrophobicContact CZ-CD1 4.42Å; F911-F961 HydrophobicContact CZ-CE1 4.45Å; F911-L1002 HydrophobicContact CB-CD2 4.13Å
912	V	93.5	Very high	87.1	Confident	4 Å²	4	47 Å²	47	2%	0.024	24%	0.238	C	C	.	.	H	α-helix	trans	-105	-17.9	-174	-65.6	0	0	0	0	113.9	S909 Q914 R998 L999 L1002	S909-V912 PolarHBondContact O-N 2.69Å; V912-Q914 PolarHBondContact O-N 2.93Å; V912-R998 HydrophobicContact CB-CB 3.9Å; V912-R998 HydrophobicContact CG1-CB 4.08Å; V912-L999 HydrophobicContact CG2-CB 4.06Å; V912-L999 HydrophobicContact CG2-CD1 4.23Å; V912-L1002 HydrophobicContact CG1-CB 4.13Å; V912-L1002 HydrophobicContact CG1-CD2 3.77Å
913	F	92.3	Very high	86.5	Confident	7 Å²	7	47.1 Å²	47.1	3%	0.031	24%	0.24	C	C	.	.			trans	-81.6	99	177.5	-177.9	-114.6	0	0	0	111.8	S909 E915 K962 H964 L965 V987 C995	S909-F913 WeakPolarHBondContact O-CB 3.36Å; S909-F913 PolarHBondContact O-N 3.46Å; S909-F913 VanDerWaalsContact O-N 3.13Å; F913-E915 WeakPolarHBondContact CE1-O 3.47Å; F913-E915 HydrophobicContact CE2-CB 3.91Å; F913-E915 HydrophobicContact CZ-CB 4.02Å; F913-K962 HydrophobicContact CD1-CB 3.78Å; F913-K962 HydrophobicContact CD1-CD 4.31Å; F913-K962 HydrophobicContact CE1-CB 4.44Å; F913-K962 HydrophobicContact CE1-CD 4.48Å; F913-K962 WeakPolarHBondContact O-CD 3.46Å; F913-H964 HydrophobicContact CD1-CB 4.29Å; F913-H964 HydrophobicContact CE1-CB 3.82Å; F913-L965 HydrophobicContact CB-CD1 4.45Å; F913-L965 HydrophobicContact CD1-CD1 4.49Å; F913-L965 HydrophobicContact CD1-CG 4.36Å; F913-L965 HydrophobicContact CD2-CD1 3.34Å; F913-L965 HydrophobicContact CD2-CG 4.04Å; F913-L965 HydrophobicContact CE1-CG 4.47Å; F913-L965 HydrophobicContact CE2-CD1 3.61Å; F913-L965 HydrophobicContact CE2-CG 4.14Å; F913-L965 HydrophobicContact CG-CD1 3.83Å; F913-L965 HydrophobicContact CG-CG 4.16Å; F913-L965 HydrophobicContact CZ-CD1 4.31Å; F913-L965 HydrophobicContact CZ-CG 4.36Å; F913-V987 HydrophobicContact CE2-CG1 4.11Å; F913-V987 HydrophobicContact CE2-CG2 4.31Å; F913-V987 HydrophobicContact CZ-CG1 4.46Å; F913-V987 HydrophobicContact CZ-CG2 3.86Å; F913-C995 HydrophobicContact CD2-CB 4.43Å
914	Q	82.6	Confident	86.1	Confident	99 Å²	99	49.1 Å²	49.1	46%	0.463	26%	0.255	S	S	.	.			trans	-94.6	-19	-178.5	-72.6	174.6	-32	0	0	115.2	E260 V912 K962	E260-Q914 PolarHBondContact OE1-NE2 2.89Å; V912-Q914 PolarHBondContact O-N 2.93Å; Q914-K962 PolarHBondContact O-NZ 3.35Å
915	E	82.9	Confident	85.7	Confident	57 Å²	57	55 Å²	55	27%	0.266	28%	0.282	S	S	.	.	S	Bend	trans	-69.6	164.8	-176.8	-63.9	-160	-175.2	0	0	112	K395 F913 K962 S991 R994	K395-E915 IonicContact NZ-OE1 2.7Å; K395-E915 PolarHBondContact NZ-OE1 2.74Å; K395-E915 IonicContact NZ-OE2 3.31Å; K395-E915 PolarHBondContact NZ-OE2 2.87Å; F913-E915 WeakPolarHBondContact CE1-O 3.47Å; F913-E915 HydrophobicContact CE2-CB 3.91Å; F913-E915 HydrophobicContact CZ-CB 4.02Å; E915-K962 WeakPolarHBondContact O-CD 3.42Å; E915-K962 PolarHBondContact O-NZ 3.45Å; E915-S991 PolarHBondContact OE1-OG 3.18Å; E915-S991 PolarHBondContact OE2-OG 3.42Å; E915-R994 IonicContact OE1-CZ 3.14Å; E915-R994 IonicContact OE1-NH1 2.68Å; E915-R994 PolarHBondContact OE1-NH1 3.42Å
916	N	77.9	Confident	85.3	Confident	145 Å²	145	60.4 Å²	60.4	78%	0.775	31%	0.307	S	S	*	.			trans	-97.2	124.9	174.7	-72.2	-15	0	0	0	109.4	K962	N916-K962 PolarHBondContact OD1-NZ 2.8Å
917	S	77.1	Confident	85	Confident	20 Å²	20	60.6 Å²	60.6	14%	0.14	31%	0.308	C	S	.	.			trans	-105.4	154.4	170.1	168.3	0	0	0	0	109.4	E919 D986	S917-E919 PolarHBondContact OG-N 2.88Å; S917-E919 PolarHBondContact OG-O 3.39Å; S917-D986 WeakPolarHBondContact CB-OD1 3.35Å; S917-D986 PolarHBondContact OG-OD1 3.02Å
918	S	67.8	Low	84.8	Confident	102 Å²	102	61.3 Å²	61.3	71%	0.713	31%	0.314	S	S	*	.	S	Bend	trans	-96.5	-11.2	176.6	66.5	0	0	0	0	114.3	D986	S918-D986 WeakPolarHBondContact CB-OD2 3.47Å; S918-D986 PolarHBondContact N-OD2 2.9Å; S918-D986 PolarHBondContact OG-OD2 3.31Å
919	E	70.4	Confident	84.6	Confident	120 Å²	120	62.1 Å²	62.1	56%	0.561	32%	0.323	S	S	*	.			trans	-117.2	122.5	-176.8	-60.1	-162.7	154.8	0	0	111.2	S917	S917-E919 PolarHBondContact OG-N 2.88Å; S917-E919 PolarHBondContact OG-O 3.39Å
920	M	69.8	Low	84.5	Confident	97 Å²	97	62.8 Å²	62.8	48%	0.478	33%	0.327	S	S	.	.			trans	-86.1	127.2	171.1	-65.3	-159	-55.3	0	0	110.4	P684	P684-M920 HydrophobicContact CB-CE 4.38Å; P684-M920 HydrophobicContact CB-SD 4.27Å; P684-M920 HydrophobicContact CG-CE 4.26Å; P684-M920 HydrophobicContact CG-SD 3.62Å
921	P	74.3	Confident	84.4	Confident	30 Å²	30	63.6 Å²	63.6	20%	0.195	33%	0.331	C	S	.	.			trans	-66.4	145.5	177.4	26.9	-34.3	0	0	0	111.6	L923 D967	P921-L923 VanDerWaalsContact C-N 3.25Å; P921-L923 HydrophobicContact CB-CD2 4.15Å; P921-L923 HydrophobicContact CG-CD2 3.86Å; P921-L923 HydrophobicContact CG-CG 4.36Å; P921-L923 PolarHBondContact O-N 2.96Å; P921-D967 HydrophobicContact CB-CB 4.46Å; P921-D967 VanDerWaalsContact CB-OD1 3.27Å; P921-D967 WeakPolarHBondContact CB-OD1 3.25Å; P921-D967 VanDerWaalsContact CB-OD2 3.22Å; P921-D967 WeakPolarHBondContact CB-OD2 3.41Å
922	K	77	Confident	84.3	Confident	210 Å²	210	67.9 Å²	67.9	91%	0.913	35%	0.347	S	S	*	.			trans	-80.5	75.7	172.9	-72	-176.4	179.6	176	0	109.9	T924	K922-T924 PolarHBondContact O-N 2.87Å
923	L	84.9	Confident	84.3	Confident	39 Å²	39	72.2 Å²	72.2	20%	0.204	37%	0.367	C	S	.	.			trans	-54.3	132.4	-179.9	-59.8	-177.2	0	0	0	111.7	P921 L927 A928 L931 P963 M966 D967	P921-L923 VanDerWaalsContact C-N 3.25Å; P921-L923 HydrophobicContact CB-CD2 4.15Å; P921-L923 HydrophobicContact CG-CD2 3.86Å; P921-L923 HydrophobicContact CG-CG 4.36Å; P921-L923 PolarHBondContact O-N 2.96Å; L923-L927 HydrophobicContact CB-CB 4.29Å; L923-L927 HydrophobicContact CD2-CB 4.35Å; L923-L927 HydrophobicContact CD2-CD1 4.24Å; L923-A928 HydrophobicContact CB-CB 4.3Å; L923-L931 HydrophobicContact CD1-CD2 3.65Å; L923-P963 HydrophobicContact CD1-CB 4.39Å; L923-M966 HydrophobicContact CD1-SD 3.79Å; L923-M966 HydrophobicContact CD2-CB 3.89Å; L923-D967 HydrophobicContact CD2-CB 4.16Å
924	T	87.6	Confident	84.4	Confident	77 Å²	77	72 Å²	72	47%	0.472	37%	0.366	S	S	.	.			trans	-65.9	157.4	167.3	55.9	0	0	0	0	110.6	K922 Q926 L927 A928	K922-T924 PolarHBondContact O-N 2.87Å; T924-Q926 PolarHBondContact O-N 3.25Å; T924-L927 PolarHBondContact O-N 3.48Å; T924-A928 PolarHBondContact O-N 3.43Å
925	E	87.1	Confident	84.9	Confident	123 Å²	123	68.1 Å²	68.1	58%	0.575	35%	0.348	S	S	*	.	H	α-helix	trans	-56	-30.5	178.7	-167.8	61.6	-168	0	0	113.2	L927 A928 G929 R932	E925-L927 PolarHBondContact O-N 2.86Å; E925-A928 PolarHBondContact O-N 3.45Å; E925-G929 PolarHBondContact O-N 2.83Å; E925-R932 VanDerWaalsContact CD-NH2 3.34Å; E925-R932 IonicContact OE1-CZ 2.71Å; E925-R932 IonicContact OE1-NH1 3.47Å; E925-R932 PolarHBondContact OE1-NH1 2.88Å; E925-R932 IonicContact OE1-NH2 3.57Å; E925-R932 PolarHBondContact OE1-NH2 2.69Å; E925-R932 IonicContact OE2-CZ 3.85Å; E925-R932 IonicContact OE2-NH1 3.57Å; E925-R932 IonicContact OE2-NH2 2.73Å; E925-R932 PolarHBondContact OE2-NH2 3.15Å
926	Q	89	Confident	85.4	Confident	115 Å²	115	71.7 Å²	71.7	54%	0.537	36%	0.364	S	S	.	.	H	α-helix	trans	-61.9	-19.6	173.5	-70.6	177.8	-28.4	0	0	115.1	Q903 T924	Q903-Q926 PolarHBondContact NE2-O 3.36Å; Q903-Q926 VanDerWaalsContact NE2-O 3.09Å; T924-Q926 PolarHBondContact O-N 3.25Å
927	L	91.5	Very high	86.1	Confident	4 Å²	4	65.7 Å²	65.7	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-111.3	-34.8	176.7	-65	179.3	0	0	0	111.4	A906 L923 T924 E925 L931 M966 D967 Y970	A906-L927 HydrophobicContact CB-CD2 3.93Å; L923-L927 HydrophobicContact CB-CB 4.29Å; L923-L927 HydrophobicContact CD2-CB 4.35Å; L923-L927 HydrophobicContact CD2-CD1 4.24Å; T924-L927 PolarHBondContact O-N 3.48Å; E925-L927 PolarHBondContact O-N 2.86Å; L927-L931 WeakPolarHBondContact O-CB 3.32Å; L927-L931 PolarHBondContact O-N 3.12Å; L927-M966 HydrophobicContact CB-CE 4.22Å; L927-M966 WeakPolarHBondContact O-CE 3.36Å; L927-D967 HydrophobicContact CD1-CB 4.26Å; L927-Y970 HydrophobicContact CD1-CD1 4.4Å; L927-Y970 HydrophobicContact CD1-CG 4.17Å; L927-Y970 HydrophobicContact CD2-CD2 3.92Å; L927-Y970 HydrophobicContact CD2-CE2 4.5Å; L927-Y970 HydrophobicContact CD2-CG 4.11Å
928	A	91.4	Very high	86.9	Confident	16 Å²	16	64.7 Å²	64.7	13%	0.132	33%	0.327	C	S	.	.	H	α-helix	trans	-68.4	-35	176.7	0	0	0	0	0	112.9	L923 T924 E925 L931 R932	L923-A928 HydrophobicContact CB-CB 4.3Å; T924-A928 PolarHBondContact O-N 3.43Å; E925-A928 PolarHBondContact O-N 3.45Å; A928-L931 PolarHBondContact O-N 3.33Å; A928-R932 WeakPolarHBondContact O-CG 3.43Å; A928-R932 PolarHBondContact O-N 3.34Å
929	G	92.4	Very high	88.1	Confident	17 Å²	17	62.8 Å²	62.8	18%	0.175	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-57.1	175.7	0	0	0	0	0	113.1	E925 L931 R932 Q933	E925-G929 PolarHBondContact O-N 2.83Å; G929-L931 VanDerWaalsContact C-N 3.28Å; G929-L931 PolarHBondContact O-N 3.08Å; G929-R932 PolarHBondContact O-N 3.43Å; G929-Q933 PolarHBondContact O-N 2.9Å
930	P	94.4	Very high	89.3	Confident	14 Å²	14	62.9 Å²	62.9	9%	0.091	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-35.2	175.9	-25.3	35	0	0	0	113.5	L899 L907 Q933 M934	L899-P930 HydrophobicContact CD1-CB 4.37Å; L899-P930 HydrophobicContact CD2-CB 4.09Å; L899-P930 HydrophobicContact CD2-CG 3.59Å; L907-P930 HydrophobicContact CD1-CB 4.33Å; L907-P930 HydrophobicContact CD2-CB 3.99Å; P930-Q933 PolarHBondContact O-N 3.23Å; P930-M934 PolarHBondContact O-N 3.05Å
931	L	93.7	Very high	90.4	Very high	17 Å²	17	58.4 Å²	58.4	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-62	-42.4	174.8	-179.7	62.7	0	0	0	112.4	L923 L927 A928 G929 M934 Q935 P963 M966	L923-L931 HydrophobicContact CD1-CD2 3.65Å; L927-L931 WeakPolarHBondContact O-CB 3.32Å; L927-L931 PolarHBondContact O-N 3.12Å; A928-L931 PolarHBondContact O-N 3.33Å; G929-L931 VanDerWaalsContact C-N 3.28Å; G929-L931 PolarHBondContact O-N 3.08Å; L931-M934 HydrophobicContact CD1-CE 3.69Å; L931-M934 HydrophobicContact CD1-SD 4.4Å; L931-M934 PolarHBondContact O-N 3.48Å; L931-Q935 VanDerWaalsContact O-CG 3.28Å; L931-Q935 WeakPolarHBondContact O-CG 3.19Å; L931-Q935 PolarHBondContact O-N 3.39Å; L931-P963 HydrophobicContact CD1-CB 4.16Å; L931-P963 HydrophobicContact CD2-CB 3.74Å; L931-P963 HydrophobicContact CD2-CG 4.17Å; L931-M966 HydrophobicContact CB-CE 4.22Å; L931-M966 HydrophobicContact CB-SD 4.21Å; L931-M966 HydrophobicContact CD1-SD 4.02Å; L931-M966 HydrophobicContact CD2-SD 4.04Å; L931-M966 HydrophobicContact CG-SD 4.31Å
932	R	92.4	Very high	91.4	Very high	112 Å²	112	57.2 Å²	57.2	42%	0.423	27%	0.271	S	S	.	.	H	α-helix	trans	-61.8	-45.3	175.1	-68.3	172.6	-148.9	137.3	7.4	111.5	E925 A928 G929 M934 Q935 E936	E925-R932 VanDerWaalsContact CD-NH2 3.34Å; E925-R932 IonicContact OE1-CZ 2.71Å; E925-R932 IonicContact OE1-NH1 3.47Å; E925-R932 PolarHBondContact OE1-NH1 2.88Å; E925-R932 IonicContact OE1-NH2 3.57Å; E925-R932 PolarHBondContact OE1-NH2 2.69Å; E925-R932 IonicContact OE2-CZ 3.85Å; E925-R932 IonicContact OE2-NH1 3.57Å; E925-R932 IonicContact OE2-NH2 2.73Å; E925-R932 PolarHBondContact OE2-NH2 3.15Å; A928-R932 WeakPolarHBondContact O-CG 3.43Å; A928-R932 PolarHBondContact O-N 3.34Å; G929-R932 PolarHBondContact O-N 3.43Å; R932-M934 VanDerWaalsContact C-N 3.34Å; R932-M934 PolarHBondContact O-N 3.28Å; R932-Q935 WeakPolarHBondContact O-CB 3.42Å; R932-Q935 PolarHBondContact O-N 3.44Å; R932-Q935 VanDerWaalsContact O-N 3.14Å; R932-E936 WeakPolarHBondContact O-CG 3.43Å; R932-E936 PolarHBondContact O-N 2.86Å
933	Q	93.4	Very high	92.2	Very high	96 Å²	96	53.1 Å²	53.1	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-63.2	-39.1	179	-65.3	179.2	-1.2	0	0	112.4	L895 G929 P930 E936 C937	L895-Q933 HydrophobicContact CD1-CB 3.61Å; G929-Q933 PolarHBondContact O-N 2.9Å; P930-Q933 PolarHBondContact O-N 3.23Å; Q933-E936 PolarHBondContact O-N 3.11Å; Q933-C937 PolarHBondContact O-N 3.4Å; Q933-C937 PolarHBondContact O-SG 3.43Å
934	M	94.8	Very high	92.6	Very high	1 Å²	1	52 Å²	52	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-46.1	171.5	-177.7	-159.5	86.5	0	0	111.3	L886 M890 L907 C910 F911 P930 L931 R932 E936 C937 A938 F961	L886-M934 HydrophobicContact CD2-CG 4.36Å; M890-M934 HydrophobicContact CE-CB 4.01Å; M890-M934 HydrophobicContact CE-CG 3.85Å; M890-M934 HydrophobicContact SD-CB 4.26Å; M890-M934 HydrophobicContact SD-CG 3.73Å; L907-M934 HydrophobicContact CD1-CB 4.09Å; L907-M934 HydrophobicContact CD1-CG 4.46Å; L907-M934 HydrophobicContact CD1-SD 3.85Å; L907-M934 HydrophobicContact CG-SD 4.44Å; C910-M934 HydrophobicContact CB-CE 4.35Å; C910-M934 HydrophobicContact CB-SD 4.04Å; F911-M934 HydrophobicContact CE2-CG 4.23Å; F911-M934 HydrophobicContact CE2-SD 3.62Å; F911-M934 HydrophobicContact CZ-CG 4.08Å; F911-M934 HydrophobicContact CZ-SD 3.97Å; P930-M934 PolarHBondContact O-N 3.05Å; L931-M934 HydrophobicContact CD1-CE 3.69Å; L931-M934 HydrophobicContact CD1-SD 4.4Å; L931-M934 PolarHBondContact O-N 3.48Å; R932-M934 VanDerWaalsContact C-N 3.34Å; R932-M934 PolarHBondContact O-N 3.28Å; M934-E936 PolarHBondContact O-N 2.96Å; M934-C937 PolarHBondContact O-N 3.15Å; M934-A938 WeakPolarHBondContact O-CB 3.41Å; M934-A938 PolarHBondContact O-N 3.43Å; M934-F961 HydrophobicContact CE-CB 3.66Å; M934-F961 HydrophobicContact CE-CG 4.2Å
935	Q	93.1	Very high	92.9	Very high	19 Å²	19	48.5 Å²	48.5	9%	0.089	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-36.1	177.6	-70.7	171.3	-2.9	0	0	112.8	N685 L931 R932 A938 K939 L958	N685-Q935 VanDerWaalsContact CG-NE2 3.3Å; N685-Q935 PolarHBondContact OD1-NE2 2.97Å; L931-Q935 VanDerWaalsContact O-CG 3.28Å; L931-Q935 WeakPolarHBondContact O-CG 3.19Å; L931-Q935 PolarHBondContact O-N 3.39Å; R932-Q935 WeakPolarHBondContact O-CB 3.42Å; R932-Q935 PolarHBondContact O-N 3.44Å; R932-Q935 VanDerWaalsContact O-N 3.14Å; Q935-A938 PolarHBondContact O-N 3.27Å; Q935-K939 WeakPolarHBondContact O-CB 3.49Å; Q935-K939 VanDerWaalsContact O-CG 3.28Å; Q935-K939 WeakPolarHBondContact O-CG 3.46Å; Q935-K939 PolarHBondContact O-N 2.77Å; Q935-L958 HydrophobicContact CB-CD2 4.36Å
936	E	92.6	Very high	93.2	Very high	131 Å²	131	45.2 Å²	45.2	61%	0.612	22%	0.221	S	C	*	.	H	α-helix	trans	-66.9	-40.5	174.2	-73.4	173	-174.8	0	0	112	R932 Q933 M934 K939 R940	R932-E936 WeakPolarHBondContact O-CG 3.43Å; R932-E936 PolarHBondContact O-N 2.86Å; Q933-E936 PolarHBondContact O-N 3.11Å; M934-E936 PolarHBondContact O-N 2.96Å; E936-K939 PolarHBondContact O-N 3.39Å; E936-R940 PolarHBondContact O-N 2.86Å; E936-R940 VanDerWaalsContact O-N 3.13Å
937	C	93.4	Very high	93.4	Very high	19 Å²	19	44.4 Å²	44.4	13%	0.128	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-42.7	171.4	-66.2	0	0	0	0	111.5	L886 M890 Q933 M934 R940 I941	L886-C937 HydrophobicContact CD1-CB 3.54Å; M890-C937 HydrophobicContact CG-CB 4.25Å; Q933-C937 PolarHBondContact O-N 3.4Å; Q933-C937 PolarHBondContact O-SG 3.43Å; M934-C937 PolarHBondContact O-N 3.15Å; C937-R940 WeakPolarHBondContact O-CB 3.35Å; C937-R940 PolarHBondContact O-N 3.1Å; C937-I941 PolarHBondContact O-N 3.15Å; C937-I941 VanDerWaalsContact O-N 3.16Å
938	A	94.1	Very high	93.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-43.9	176.8	0	0	0	0	0	112.2	L886 M934 Q935 R940 I941 A942 Y957 L958 F961	L886-A938 HydrophobicContact CD1-CB 4.16Å; L886-A938 HydrophobicContact CD2-CB 3.86Å; M934-A938 WeakPolarHBondContact O-CB 3.41Å; M934-A938 PolarHBondContact O-N 3.43Å; Q935-A938 PolarHBondContact O-N 3.27Å; A938-R940 VanDerWaalsContact C-N 3.29Å; A938-R940 PolarHBondContact O-N 3.18Å; A938-I941 PolarHBondContact O-N 3.41Å; A938-I941 VanDerWaalsContact O-N 3.12Å; A938-A942 PolarHBondContact O-N 3.09Å; A938-Y957 HydrophobicContact CB-CD1 4.35Å; A938-Y957 HydrophobicContact CB-CE1 3.86Å; A938-Y957 WeakPolarHBondContact O-CE1 3.23Å; A938-L958 HydrophobicContact CB-CD2 3.59Å; A938-F961 HydrophobicContact CB-CE2 4.4Å
939	K	93.5	Very high	93.6	Very high	62 Å²	62	51.5 Å²	51.5	27%	0.27	25%	0.245	S	C	.	.	H	α-helix	trans	-55.9	-42.9	173.6	-77.4	171	-178.9	166.3	0	112.1	N685 Q935 E936 I941 A942 K943 E954 L958	N685-K939 VanDerWaalsContact O-CE 3.32Å; N685-K939 WeakPolarHBondContact O-CE 3.44Å; N685-K939 PolarHBondContact O-NZ 3.32Å; Q935-K939 WeakPolarHBondContact O-CB 3.49Å; Q935-K939 VanDerWaalsContact O-CG 3.28Å; Q935-K939 WeakPolarHBondContact O-CG 3.46Å; Q935-K939 PolarHBondContact O-N 2.77Å; E936-K939 PolarHBondContact O-N 3.39Å; K939-I941 PolarHBondContact O-N 2.79Å; K939-A942 PolarHBondContact O-N 2.86Å; K939-K943 VanDerWaalsContact O-CB 3.31Å; K939-K943 WeakPolarHBondContact O-CB 3.41Å; K939-K943 PolarHBondContact O-N 2.93Å; K939-E954 WeakPolarHBondContact CG-OE1 3.27Å; K939-L958 HydrophobicContact CD-CD1 4.23Å; K939-L958 HydrophobicContact CG-CD1 3.72Å; K939-L958 HydrophobicContact CG-CD2 3.9Å; K939-L958 HydrophobicContact CG-CG 4.3Å
940	R	93.9	Very high	93.5	Very high	122 Å²	122	51.6 Å²	51.6	46%	0.46	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-41.2	176.5	-174.8	177.2	171	-130.7	-7.4	112.2	E889 E936 C937 A938 V944	E889-R940 IonicContact OE2-CZ 3.93Å; E889-R940 IonicContact OE2-NH1 3.31Å; E889-R940 PolarHBondContact OE2-NH1 2.95Å; E889-R940 IonicContact OE2-NH2 2.74Å; E936-R940 PolarHBondContact O-N 2.86Å; E936-R940 VanDerWaalsContact O-N 3.13Å; C937-R940 WeakPolarHBondContact O-CB 3.35Å; C937-R940 PolarHBondContact O-N 3.1Å; A938-R940 VanDerWaalsContact C-N 3.29Å; A938-R940 PolarHBondContact O-N 3.18Å; R940-V944 WeakPolarHBondContact O-CB 3.42Å; R940-V944 VanDerWaalsContact O-CG2 3.28Å; R940-V944 WeakPolarHBondContact O-CG2 3.28Å; R940-V944 PolarHBondContact O-N 3.43Å
941	I	94.7	Very high	93.2	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.015	28%	0.282	C	S	.	.	H	α-helix	trans	-70.8	-44.9	178.2	-64.9	171.4	0	0	0	111.5	L860 L885 L886 E889 C937 A938 K939 K943 V944 S945 Y957	L860-I941 HydrophobicContact CD1-CG1 4.15Å; L860-I941 HydrophobicContact CD1-CG2 4.49Å; L885-I941 HydrophobicContact CB-CD1 4.21Å; L885-I941 HydrophobicContact CD1-CG2 4.39Å; L886-I941 VanDerWaalsContact CA-CD1 3.48Å; L886-I941 HydrophobicContact CB-CD1 3.88Å; L886-I941 HydrophobicContact CD1-CD1 3.99Å; E889-I941 HydrophobicContact CB-CD1 4.34Å; E889-I941 HydrophobicContact CG-CD1 4.03Å; E889-I941 HydrophobicContact CG-CG1 4.42Å; C937-I941 PolarHBondContact O-N 3.15Å; C937-I941 VanDerWaalsContact O-N 3.16Å; A938-I941 PolarHBondContact O-N 3.41Å; A938-I941 VanDerWaalsContact O-N 3.12Å; K939-I941 PolarHBondContact O-N 2.79Å; I941-K943 PolarHBondContact O-N 2.67Å; I941-V944 PolarHBondContact O-N 3.18Å; I941-S945 WeakPolarHBondContact O-CB 3.49Å; I941-S945 PolarHBondContact O-N 3.26Å; I941-S945 PolarHBondContact O-OG 2.92Å; I941-Y957 HydrophobicContact CB-CE1 4.46Å; I941-Y957 WeakPolarHBondContact CG2-OH 3.47Å
942	A	93.9	Very high	92.9	Very high	4 Å²	4	62.7 Å²	62.7	3%	0.033	29%	0.292	C	S	.	.	H	α-helix	trans	-56.6	-49.4	175.4	0	0	0	0	0	111.1	A938 K939 V944 S945 A946 E954 Y957	A938-A942 PolarHBondContact O-N 3.09Å; K939-A942 PolarHBondContact O-N 2.86Å; A942-V944 PolarHBondContact O-N 3.49Å; A942-S945 WeakPolarHBondContact O-CB 3.46Å; A942-S945 PolarHBondContact O-N 2.99Å; A942-S945 VanDerWaalsContact O-N 3.13Å; A942-A946 PolarHBondContact O-N 2.86Å; A942-E954 HydrophobicContact CB-CB 4.37Å; A942-E954 HydrophobicContact CB-CG 4.06Å; A942-Y957 HydrophobicContact CB-CD1 3.85Å; A942-Y957 HydrophobicContact CB-CE1 4.4Å; A942-Y957 HydrophobicContact CB-CG 4.43Å
943	K	93.4	Very high	92.6	Very high	124 Å²	124	61.2 Å²	61.2	54%	0.539	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-46.1	176.3	179.7	171.1	177.4	172.6	0	113.1	K939 I941 S945 A946 E947	K939-K943 VanDerWaalsContact O-CB 3.31Å; K939-K943 WeakPolarHBondContact O-CB 3.41Å; K939-K943 PolarHBondContact O-N 2.93Å; I941-K943 PolarHBondContact O-N 2.67Å; K943-S945 PolarHBondContact O-N 3.31Å; K943-A946 PolarHBondContact O-N 2.85Å; K943-E947 WeakPolarHBondContact CE-OE1 3.35Å; K943-E947 HydrophobicContact CG-CG 4.47Å; K943-E947 WeakPolarHBondContact O-CB 3.38Å; K943-E947 VanDerWaalsContact O-CG 3.3Å; K943-E947 WeakPolarHBondContact O-CG 3.38Å; K943-E947 PolarHBondContact O-N 3.39Å
944	V	94.6	Very high	92.3	Very high	16 Å²	16	60.8 Å²	60.8	10%	0.097	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-31.2	177.2	167.6	0	0	0	0	111.7	V856 R859 L860 R940 I941 A942 A948	V856-V944 HydrophobicContact CG1-CG1 4.38Å; R859-V944 HydrophobicContact CB-CG1 3.93Å; R859-V944 PolarHBondContact NH1-O 3.36Å; L860-V944 HydrophobicContact CD2-CB 4.4Å; L860-V944 HydrophobicContact CD2-CG1 4.14Å; L860-V944 HydrophobicContact CD2-CG2 4.22Å; L860-V944 HydrophobicContact CG-CG1 4.17Å; R940-V944 WeakPolarHBondContact O-CB 3.42Å; R940-V944 VanDerWaalsContact O-CG2 3.28Å; R940-V944 WeakPolarHBondContact O-CG2 3.28Å; R940-V944 PolarHBondContact O-N 3.43Å; I941-V944 PolarHBondContact O-N 3.18Å; A942-V944 PolarHBondContact O-N 3.49Å; V944-A948 VanDerWaalsContact O-CB 3.31Å; V944-A948 WeakPolarHBondContact O-CB 3.37Å; V944-A948 PolarHBondContact O-N 2.87Å
945	S	94.3	Very high	91.6	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-75.3	-43.5	177.5	-56.7	0	0	0	0	112.9	I941 A942 K943 A948 K949 L950	I941-S945 WeakPolarHBondContact O-CB 3.49Å; I941-S945 PolarHBondContact O-N 3.26Å; I941-S945 PolarHBondContact O-OG 2.92Å; A942-S945 WeakPolarHBondContact O-CB 3.46Å; A942-S945 PolarHBondContact O-N 2.99Å; A942-S945 VanDerWaalsContact O-N 3.13Å; K943-S945 PolarHBondContact O-N 3.31Å; S945-A948 CarbonylContact O-C 3.59Å; S945-A948 WeakPolarHBondContact O-CA 3.41Å; S945-A948 WeakPolarHBondContact O-CB 3.29Å; S945-A948 PolarHBondContact O-N 3.14Å; S945-K949 PolarHBondContact O-N 3.18Å; S945-L950 PolarHBondContact O-N 3.29Å
946	A	92.8	Very high	91.3	Very high	54 Å²	54	66.9 Å²	66.9	45%	0.446	33%	0.326	S	S	.	.	H	α-helix	trans	-62	-45.4	172	0	0	0	0	0	111.3	A942 K943 A948 K949	A942-A946 PolarHBondContact O-N 2.86Å; K943-A946 PolarHBondContact O-N 2.85Å; A946-A948 PolarHBondContact O-N 3.36Å; A946-K949 PolarHBondContact O-N 2.97Å
947	E	93.7	Very high	91.1	Very high	98 Å²	98	62.2 Å²	62.2	46%	0.458	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-23.8	171.7	-72.9	174.5	-173	0	0	112.9	R859 K943 K949	R859-E947 IonicContact CZ-OE2 3.84Å; R859-E947 IonicContact NH1-OE2 3.72Å; R859-E947 PolarHBondContact NH1-OE2 2.68Å; R859-E947 IonicContact NH2-OE2 3.73Å; R859-E947 PolarHBondContact NH2-OE2 2.61Å; K943-E947 WeakPolarHBondContact CE-OE1 3.35Å; K943-E947 HydrophobicContact CG-CG 4.47Å; K943-E947 WeakPolarHBondContact O-CB 3.38Å; K943-E947 VanDerWaalsContact O-CG 3.3Å; K943-E947 WeakPolarHBondContact O-CG 3.38Å; K943-E947 PolarHBondContact O-N 3.39Å; E947-K949 VanDerWaalsContact C-N 3.31Å
948	A	93.4	Very high	90.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-9	173.1	0	0	0	0	0	113.8	C852 R855 V856 V944 S945 A946	C852-A948 PolarHBondContact SG-O 2.83Å; R855-A948 HydrophobicContact CB-CB 4.32Å; R855-A948 HydrophobicContact CG-CB 4.02Å; R855-A948 PolarHBondContact NH1-O 2.95Å; V856-A948 HydrophobicContact CG2-CB 3.53Å; V944-A948 VanDerWaalsContact O-CB 3.31Å; V944-A948 WeakPolarHBondContact O-CB 3.37Å; V944-A948 PolarHBondContact O-N 2.87Å; S945-A948 CarbonylContact O-C 3.59Å; S945-A948 WeakPolarHBondContact O-CA 3.41Å; S945-A948 WeakPolarHBondContact O-CB 3.29Å; S945-A948 PolarHBondContact O-N 3.14Å; A946-A948 PolarHBondContact O-N 3.36Å
949	K	93.3	Very high	90.4	Very high	170 Å²	170	64.3 Å²	64.3	74%	0.739	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	40.7	-169.4	-50.7	-171.9	175.2	-165.4	0	115.3	S945 A946 E947	S945-K949 PolarHBondContact O-N 3.18Å; A946-K949 PolarHBondContact O-N 2.97Å; E947-K949 VanDerWaalsContact C-N 3.31Å
950	L	90.8	Very high	90.2	Very high	18 Å²	18	64.5 Å²	64.5	9%	0.094	33%	0.326	C	S	.	.			trans	-90.5	143.5	160.3	-66.3	174.3	0	0	0	110	Y566 E849 C852 R853 V856 S945 I952	Y566-L950 WeakPolarHBondContact OH-CD1 3.49Å; E849-L950 HydrophobicContact CG-CD2 4.07Å; C852-L950 HydrophobicContact CB-CD2 3.43Å; C852-L950 VanDerWaalsContact CB-CD2 3.43Å; C852-L950 HydrophobicContact CB-CG 3.85Å; R853-L950 HydrophobicContact CG-CD1 4.12Å; R853-L950 HydrophobicContact CG-CD2 4.18Å; V856-L950 HydrophobicContact CG2-CD1 3.95Å; S945-L950 PolarHBondContact O-N 3.29Å; L950-I952 HydrophobicContact CB-CD1 4.16Å; L950-I952 HydrophobicContact CB-CG1 4.11Å; L950-I952 HydrophobicContact CD1-CD1 4.29Å; L950-I952 PolarHBondContact O-N 3.14Å
951	E	88.1	Confident	90.1	Very high	206 Å²	206	59.1 Å²	59.1	96%	0.963	31%	0.306	S	S	*	.			trans	-78.5	72	175.5	-65.6	-176.6	-179.9	0	0	110.1
952	I	85.9	Confident	89.9	Confident	58 Å²	58	60.5 Å²	60.5	30%	0.297	31%	0.312	S	S	.	.			trans	-119.4	119.7	178.3	-63.4	-178.7	0	0	0	109.2	L950 Y957	L950-I952 HydrophobicContact CB-CD1 4.16Å; L950-I952 HydrophobicContact CB-CG1 4.11Å; L950-I952 HydrophobicContact CD1-CD1 4.29Å; L950-I952 PolarHBondContact O-N 3.14Å; I952-Y957 HydrophobicContact CG2-CD2 4.48Å; I952-Y957 HydrophobicContact CG2-CG 4.34Å
953	D	87.2	Confident	89.8	Confident	81 Å²	81	61 Å²	61	43%	0.433	32%	0.315	S	S	.	.			trans	-79.3	133.3	166.4	166.9	47.5	0	0	0	110.7	E955 T956 Y957	D953-E955 PolarHBondContact OD1-N 2.84Å; D953-E955 PolarHBondContact OD2-N 3.37Å; D953-T956 WeakPolarHBondContact OD2-CB 3.36Å; D953-T956 PolarHBondContact OD2-N 3.43Å; D953-T956 PolarHBondContact OD2-OG1 2.94Å; D953-Y957 WeakPolarHBondContact O-CB 3.48Å; D953-Y957 PolarHBondContact O-N 3.28Å
954	E	86.6	Confident	89.8	Confident	87 Å²	87	56.6 Å²	56.6	41%	0.407	30%	0.296	S	S	.	.	H	α-helix	trans	-67.1	-39.4	-178.3	-172.2	178	134.6	0	0	111.4	K939 A942 L958	K939-E954 WeakPolarHBondContact CG-OE1 3.27Å; A942-E954 HydrophobicContact CB-CB 4.37Å; A942-E954 HydrophobicContact CB-CG 4.06Å; E954-L958 HydrophobicContact CG-CD1 3.83Å; E954-L958 HydrophobicContact CG-CG 4.46Å; E954-L958 VanDerWaalsContact O-CB 3.29Å; E954-L958 WeakPolarHBondContact O-CB 3.22Å; E954-L958 WeakPolarHBondContact O-CD1 3.44Å; E954-L958 WeakPolarHBondContact O-CG 3.48Å; E954-L958 PolarHBondContact O-N 3.35Å
955	E	81.1	Confident	89.7	Confident	58 Å²	58	55.9 Å²	55.9	27%	0.271	29%	0.292	S	S	.	.	H	α-helix	trans	-66.7	-43.7	179	-69.3	-170.8	-154.3	0	0	112	K683 L689 D953 L958 S959	K683-E955 WeakPolarHBondContact CD-OE2 3.4Å; K683-E955 WeakPolarHBondContact CE-OE2 3.32Å; K683-E955 IonicContact NZ-OE2 3.85Å; K683-E955 PolarHBondContact NZ-OE2 2.68Å; L689-E955 VanDerWaalsContact CD1-OE1 3.26Å; L689-E955 WeakPolarHBondContact CD1-OE1 3.37Å; D953-E955 PolarHBondContact OD1-N 2.84Å; D953-E955 PolarHBondContact OD2-N 3.37Å; E955-L958 PolarHBondContact O-N 2.8Å; E955-S959 VanDerWaalsContact O-CB 3.31Å; E955-S959 WeakPolarHBondContact O-CB 3.49Å; E955-S959 PolarHBondContact O-N 2.85Å; E955-S959 PolarHBondContact O-OG 3.25Å
956	T	85.6	Confident	89.7	Confident	91 Å²	91	55.8 Å²	55.8	56%	0.558	29%	0.291	S	S	*	.	H	α-helix	trans	-66.3	-45.6	179.4	-59.8	0	0	0	0	111.1	D953 L958 S959 S960	D953-T956 WeakPolarHBondContact OD2-CB 3.36Å; D953-T956 PolarHBondContact OD2-N 3.43Å; D953-T956 PolarHBondContact OD2-OG1 2.94Å; T956-L958 PolarHBondContact O-N 2.89Å; T956-S959 PolarHBondContact O-N 3.37Å; T956-S959 PolarHBondContact O-OG 3.02Å; T956-S960 PolarHBondContact O-N 3.16Å; T956-S960 VanDerWaalsContact O-N 3.1Å
957	Y	89.1	Confident	89.8	Confident	33 Å²	33	54.6 Å²	54.6	13%	0.129	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-46.3	174.8	-178.5	-104.1	0	0	0	111.3	D883 A938 I941 A942 I952 D953 S959 S960 F961	D883-Y957 PolarHBondContact OD2-OH 2.7Å; A938-Y957 HydrophobicContact CB-CD1 4.35Å; A938-Y957 HydrophobicContact CB-CE1 3.86Å; A938-Y957 WeakPolarHBondContact O-CE1 3.23Å; I941-Y957 HydrophobicContact CB-CE1 4.46Å; I941-Y957 WeakPolarHBondContact CG2-OH 3.47Å; A942-Y957 HydrophobicContact CB-CD1 3.85Å; A942-Y957 HydrophobicContact CB-CE1 4.4Å; A942-Y957 HydrophobicContact CB-CG 4.43Å; I952-Y957 HydrophobicContact CG2-CD2 4.48Å; I952-Y957 HydrophobicContact CG2-CG 4.34Å; D953-Y957 WeakPolarHBondContact O-CB 3.48Å; D953-Y957 PolarHBondContact O-N 3.28Å; Y957-S959 PolarHBondContact O-N 3.47Å; Y957-S960 WeakPolarHBondContact O-CB 3.48Å; Y957-S960 PolarHBondContact O-N 3.44Å; Y957-S960 PolarHBondContact O-OG 3.3Å; Y957-F961 HydrophobicContact CD1-CE2 4.27Å; Y957-F961 AromaticContact CE1-CE2 4Å; Y957-F961 HydrophobicContact CE1-CE2 4Å; Y957-F961 HydrophobicContact CE2-CE2 4.33Å; Y957-F961 HydrophobicContact CE2-CZ 4.34Å; Y957-F961 WeakPolarHBondContact O-CD2 3.21Å; Y957-F961 WeakPolarHBondContact O-CE2 3.41Å
958	L	87.5	Confident	89.8	Confident	4 Å²	4	50 Å²	50	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-36.4	178.5	-74.1	166.9	0	0	0	114	N685 Q935 A938 K939 E954 E955 T956 S960	N685-L958 HydrophobicContact CB-CB 3.99Å; N685-L958 PolarHBondContact ND2-O 2.94Å; Q935-L958 HydrophobicContact CB-CD2 4.36Å; A938-L958 HydrophobicContact CB-CD2 3.59Å; K939-L958 HydrophobicContact CD-CD1 4.23Å; K939-L958 HydrophobicContact CG-CD1 3.72Å; K939-L958 HydrophobicContact CG-CD2 3.9Å; K939-L958 HydrophobicContact CG-CG 4.3Å; E954-L958 HydrophobicContact CG-CD1 3.83Å; E954-L958 HydrophobicContact CG-CG 4.46Å; E954-L958 VanDerWaalsContact O-CB 3.29Å; E954-L958 WeakPolarHBondContact O-CB 3.22Å; E954-L958 WeakPolarHBondContact O-CD1 3.44Å; E954-L958 WeakPolarHBondContact O-CG 3.48Å; E954-L958 PolarHBondContact O-N 3.35Å; E955-L958 PolarHBondContact O-N 2.8Å; T956-L958 PolarHBondContact O-N 2.89Å; L958-S960 VanDerWaalsContact C-N 3.31Å
959	S	85.3	Confident	90	Very high	58 Å²	58	50 Å²	50	41%	0.406	26%	0.256	S	S	.	.	H	α-helix	trans	-82.2	-7	-179	54.8	0	0	0	0	113.9	E955 T956 Y957 F961	E955-S959 VanDerWaalsContact O-CB 3.31Å; E955-S959 WeakPolarHBondContact O-CB 3.49Å; E955-S959 PolarHBondContact O-N 2.85Å; E955-S959 PolarHBondContact O-OG 3.25Å; T956-S959 PolarHBondContact O-N 3.37Å; T956-S959 PolarHBondContact O-OG 3.02Å; Y957-S959 PolarHBondContact O-N 3.47Å; S959-F961 VanDerWaalsContact C-N 3.29Å
960	S	89	Confident	90.1	Very high	66 Å²	66	44.5 Å²	44.5	46%	0.462	23%	0.231	S	C	.	.	H	α-helix	trans	-64.1	-33.2	167.6	76.5	0	0	0	0	112.6	T956 Y957 L958	T956-S960 PolarHBondContact O-N 3.16Å; T956-S960 VanDerWaalsContact O-N 3.1Å; Y957-S960 WeakPolarHBondContact O-CB 3.48Å; Y957-S960 PolarHBondContact O-N 3.44Å; Y957-S960 PolarHBondContact O-OG 3.3Å; L958-S960 VanDerWaalsContact C-N 3.31Å
961	F	91.4	Very high	90.3	Very high	10 Å²	10	45 Å²	45	4%	0.044	24%	0.235	C	C	.	.	S	Bend	trans	-84	114.4	177.5	-53.5	-74.8	0	0	0	110.7	D883 L886 C910 F911 M934 A938 Y957 S959 P963	D883-F961 HydrophobicContact CB-CE1 3.94Å; D883-F961 HydrophobicContact CB-CZ 4.04Å; L886-F961 HydrophobicContact CD2-CD1 4.3Å; L886-F961 HydrophobicContact CD2-CD2 4.26Å; L886-F961 HydrophobicContact CD2-CE1 3.77Å; L886-F961 HydrophobicContact CD2-CE2 3.73Å; L886-F961 HydrophobicContact CD2-CZ 3.47Å; L886-F961 VanDerWaalsContact CD2-CZ 3.47Å; C910-F961 HydrophobicContact CB-CB 4.47Å; C910-F961 WeakPolarHBondContact O-CA 3.38Å; F911-F961 AromaticContact CD1-CD1 3.89Å; F911-F961 HydrophobicContact CD1-CD1 3.89Å; F911-F961 AromaticContact CD1-CE1 3.65Å; F911-F961 HydrophobicContact CD1-CE1 3.65Å; F911-F961 AromaticContact CE1-CD1 3.98Å; F911-F961 HydrophobicContact CE1-CD1 3.98Å; F911-F961 AromaticContact CE1-CE1 3.65Å; F911-F961 HydrophobicContact CE1-CE1 3.65Å; F911-F961 HydrophobicContact CG-CD1 4.27Å; F911-F961 HydrophobicContact CG-CE1 4.46Å; F911-F961 HydrophobicContact CZ-CD1 4.42Å; F911-F961 HydrophobicContact CZ-CE1 4.45Å; M934-F961 HydrophobicContact CE-CB 3.66Å; M934-F961 HydrophobicContact CE-CG 4.2Å; A938-F961 HydrophobicContact CB-CE2 4.4Å; Y957-F961 HydrophobicContact CD1-CE2 4.27Å; Y957-F961 AromaticContact CE1-CE2 4Å; Y957-F961 HydrophobicContact CE1-CE2 4Å; Y957-F961 HydrophobicContact CE2-CE2 4.33Å; Y957-F961 HydrophobicContact CE2-CZ 4.34Å; Y957-F961 WeakPolarHBondContact O-CD2 3.21Å; Y957-F961 WeakPolarHBondContact O-CE2 3.41Å; S959-F961 VanDerWaalsContact C-N 3.29Å; F961-P963 WeakPolarHBondContact O-CD 3.4Å
962	K	91.3	Very high	90.7	Very high	32 Å²	32	35.2 Å²	35.2	14%	0.139	19%	0.189	C	C	.	.			trans	-110.5	107.2	-163.9	-72.5	-178.4	-178.4	-178.1	0	113	C910 F913 Q914 E915 N916 H964	C910-K962 PolarHBondContact O-N 2.87Å; F913-K962 HydrophobicContact CD1-CB 3.78Å; F913-K962 HydrophobicContact CD1-CD 4.31Å; F913-K962 HydrophobicContact CE1-CB 4.44Å; F913-K962 HydrophobicContact CE1-CD 4.48Å; F913-K962 WeakPolarHBondContact O-CD 3.46Å; Q914-K962 PolarHBondContact O-NZ 3.35Å; E915-K962 WeakPolarHBondContact O-CD 3.42Å; E915-K962 PolarHBondContact O-NZ 3.45Å; N916-K962 PolarHBondContact OD1-NZ 2.8Å; K962-H964 PolarHBondContact O-N 3.42Å
963	P	92.1	Very high	91.2	Very high	13 Å²	13	32.8 Å²	32.8	8%	0.084	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-78	2.4	-175.4	32.4	-37.1	0	0	0	115.5	L923 L931 F961 L965 M966	L923-P963 HydrophobicContact CD1-CB 4.39Å; L931-P963 HydrophobicContact CD1-CB 4.16Å; L931-P963 HydrophobicContact CD2-CB 3.74Å; L931-P963 HydrophobicContact CD2-CG 4.17Å; F961-P963 WeakPolarHBondContact O-CD 3.4Å; P963-L965 PolarHBondContact O-N 3.11Å; P963-M966 HydrophobicContact CB-CG 4.1Å; P963-M966 HydrophobicContact CB-SD 3.65Å; P963-M966 WeakPolarHBondContact O-CG 3.46Å; P963-M966 PolarHBondContact O-N 3.15Å
964	H	92.1	Very high	91.6	Very high	33 Å²	33	32.6 Å²	32.6	15%	0.153	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-61	-14.8	-169.8	-54.8	93	0	0	0	116.1	F913 K962	F913-H964 HydrophobicContact CD1-CB 4.29Å; F913-H964 HydrophobicContact CE1-CB 3.82Å; K962-H964 PolarHBondContact O-N 3.42Å
965	L	93.7	Very high	92	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-118.6	10.2	176.4	-63	-177	0	0	0	113.5	F913 P963 D967 V968 V969 T985 V987 C995	F913-L965 HydrophobicContact CB-CD1 4.45Å; F913-L965 HydrophobicContact CD1-CD1 4.49Å; F913-L965 HydrophobicContact CD1-CG 4.36Å; F913-L965 HydrophobicContact CD2-CD1 3.34Å; F913-L965 HydrophobicContact CD2-CG 4.04Å; F913-L965 HydrophobicContact CE1-CG 4.47Å; F913-L965 HydrophobicContact CE2-CD1 3.61Å; F913-L965 HydrophobicContact CE2-CG 4.14Å; F913-L965 HydrophobicContact CG-CD1 3.83Å; F913-L965 HydrophobicContact CG-CG 4.16Å; F913-L965 HydrophobicContact CZ-CD1 4.31Å; F913-L965 HydrophobicContact CZ-CG 4.36Å; P963-L965 PolarHBondContact O-N 3.11Å; L965-D967 PolarHBondContact O-N 3.48Å; L965-V968 HydrophobicContact CB-CB 4.32Å; L965-V968 HydrophobicContact CD2-CB 4.12Å; L965-V968 HydrophobicContact CD2-CG1 4.27Å; L965-V968 HydrophobicContact CD2-CG2 3.84Å; L965-V968 PolarHBondContact O-N 3.41Å; L965-V969 HydrophobicContact CB-CG2 4.39Å; L965-V969 WeakPolarHBondContact O-CB 3.44Å; L965-V969 VanDerWaalsContact O-CG2 3.26Å; L965-V969 WeakPolarHBondContact O-CG2 3.43Å; L965-V969 PolarHBondContact O-N 2.93Å; L965-T985 HydrophobicContact CD2-CG2 4.1Å; L965-V987 HydrophobicContact CD2-CB 4.37Å; L965-V987 HydrophobicContact CD2-CG2 4.27Å; L965-C995 HydrophobicContact CD1-CB 3.97Å
966	M	94.4	Very high	92.7	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-44.7	-177.3	-73.8	-176.4	72.9	0	0	112.8	A906 L907 C910 L923 L927 L931 P963 Y970	A906-M966 WeakPolarHBondContact CB-O 3.24Å; L907-M966 HydrophobicContact CD1-CE 3.97Å; C910-M966 VanDerWaalsContact SG-CG 3.51Å; L923-M966 HydrophobicContact CD1-SD 3.79Å; L923-M966 HydrophobicContact CD2-CB 3.89Å; L927-M966 HydrophobicContact CB-CE 4.22Å; L927-M966 WeakPolarHBondContact O-CE 3.36Å; L931-M966 HydrophobicContact CB-CE 4.22Å; L931-M966 HydrophobicContact CB-SD 4.21Å; L931-M966 HydrophobicContact CD1-SD 4.02Å; L931-M966 HydrophobicContact CD2-SD 4.04Å; L931-M966 HydrophobicContact CG-SD 4.31Å; P963-M966 HydrophobicContact CB-CG 4.1Å; P963-M966 HydrophobicContact CB-SD 3.65Å; P963-M966 WeakPolarHBondContact O-CG 3.46Å; P963-M966 PolarHBondContact O-N 3.15Å; M966-Y970 VanDerWaalsContact O-CB 3.27Å; M966-Y970 WeakPolarHBondContact O-CB 3.27Å; M966-Y970 PolarHBondContact O-N 3.01Å
967	D	93.9	Very high	93.1	Very high	29 Å²	29	28.1 Å²	28.1	16%	0.155	17%	0.174	C	C	.	.	H	α-helix	trans	-73	-40.4	177.9	63.1	-29.6	0	0	0	111.7	P921 L923 L927 L965 V969 Y970 T971 M984	P921-D967 HydrophobicContact CB-CB 4.46Å; P921-D967 VanDerWaalsContact CB-OD1 3.27Å; P921-D967 WeakPolarHBondContact CB-OD1 3.25Å; P921-D967 VanDerWaalsContact CB-OD2 3.22Å; P921-D967 WeakPolarHBondContact CB-OD2 3.41Å; L923-D967 HydrophobicContact CD2-CB 4.16Å; L927-D967 HydrophobicContact CD1-CB 4.26Å; L965-D967 PolarHBondContact O-N 3.48Å; D967-V969 VanDerWaalsContact C-N 3.3Å; D967-V969 PolarHBondContact O-N 3.48Å; D967-Y970 PolarHBondContact O-N 3.44Å; D967-T971 VanDerWaalsContact O-CB 3.28Å; D967-T971 WeakPolarHBondContact O-CB 3.5Å; D967-T971 PolarHBondContact O-N 3.46Å; D967-T971 PolarHBondContact O-OG1 3.01Å; D967-T971 VanDerWaalsContact O-OG1 3.04Å; D967-M984 HydrophobicContact CB-CE 4.07Å
968	V	94.8	Very high	93.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-53.5	-47	171.1	-176.1	0	0	0	0	111.1	L965 W972 I981 M984 T985 I992	L965-V968 HydrophobicContact CB-CB 4.32Å; L965-V968 HydrophobicContact CD2-CB 4.12Å; L965-V968 HydrophobicContact CD2-CG1 4.27Å; L965-V968 HydrophobicContact CD2-CG2 3.84Å; L965-V968 PolarHBondContact O-N 3.41Å; V968-W972 WeakPolarHBondContact O-CB 3.48Å; V968-W972 PolarHBondContact O-N 3.05Å; V968-I981 HydrophobicContact CG1-CB 3.95Å; V968-I981 HydrophobicContact CG1-CD1 4.23Å; V968-I981 HydrophobicContact CG1-CG1 4.47Å; V968-M984 HydrophobicContact CG2-CB 4.15Å; V968-T985 HydrophobicContact CG2-CG2 4.11Å; V968-I992 HydrophobicContact CG1-CG2 4.37Å
969	V	96.3	Very high	93.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-72.8	-39.8	179.3	170.4	0	0	0	0	112	T905 L965 D967 W972 A973 M996 L999	T905-V969 HydrophobicContact CG2-CG1 3.87Å; L965-V969 HydrophobicContact CB-CG2 4.39Å; L965-V969 WeakPolarHBondContact O-CB 3.44Å; L965-V969 VanDerWaalsContact O-CG2 3.26Å; L965-V969 WeakPolarHBondContact O-CG2 3.43Å; L965-V969 PolarHBondContact O-N 2.93Å; D967-V969 VanDerWaalsContact C-N 3.3Å; D967-V969 PolarHBondContact O-N 3.48Å; V969-W972 PolarHBondContact O-N 2.68Å; V969-A973 WeakPolarHBondContact O-CB 3.44Å; V969-A973 PolarHBondContact O-N 3.29Å; V969-M996 HydrophobicContact CB-CE 4.42Å; V969-M996 HydrophobicContact CG2-CE 3.8Å; V969-M996 HydrophobicContact CG2-SD 4.05Å; V969-L999 HydrophobicContact CG1-CD2 3.57Å; V969-L999 HydrophobicContact CG2-CD2 4.27Å
970	Y	96.4	Very high	93.9	Very high	54 Å²	54	29.3 Å²	29.3	21%	0.212	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-48.7	174.2	-177.4	-104.1	0	0	0	111.5	E902 Q903 A906 L927 M966 D967 W972 A973 T974	E902-Y970 HydrophobicContact CB-CD2 3.71Å; E902-Y970 HydrophobicContact CB-CE2 3.66Å; Q903-Y970 HydrophobicContact CG-CD2 4.49Å; Q903-Y970 HydrophobicContact CG-CE2 3.95Å; A906-Y970 HydrophobicContact CB-CD2 4.43Å; L927-Y970 HydrophobicContact CD1-CD1 4.4Å; L927-Y970 HydrophobicContact CD1-CG 4.17Å; L927-Y970 HydrophobicContact CD2-CD2 3.92Å; L927-Y970 HydrophobicContact CD2-CE2 4.5Å; L927-Y970 HydrophobicContact CD2-CG 4.11Å; M966-Y970 VanDerWaalsContact O-CB 3.27Å; M966-Y970 WeakPolarHBondContact O-CB 3.27Å; M966-Y970 PolarHBondContact O-N 3.01Å; D967-Y970 PolarHBondContact O-N 3.44Å; Y970-W972 VanDerWaalsContact C-N 3.3Å; Y970-W972 PolarHBondContact O-N 3.43Å; Y970-A973 PolarHBondContact O-N 2.97Å; Y970-A973 VanDerWaalsContact O-N 3.1Å; Y970-T974 HydrophobicContact CD1-CG2 4.48Å; Y970-T974 HydrophobicContact CE1-CG2 4.12Å; Y970-T974 HydrophobicContact CE2-CG2 4.44Å; Y970-T974 WeakPolarHBondContact O-CG2 3.5Å; Y970-T974 PolarHBondContact O-N 3.29Å; Y970-T974 PolarHBondContact O-OG1 2.82Å
971	T	95.7	Very high	94.1	Very high	29 Å²	29	26.2 Å²	26.2	18%	0.178	16%	0.156	C	C	.	.	H	α-helix	trans	-66.7	-30.1	179	-61.9	0	0	0	0	112.4	D967 T974 A976 I981 M984	D967-T971 VanDerWaalsContact O-CB 3.28Å; D967-T971 WeakPolarHBondContact O-CB 3.5Å; D967-T971 PolarHBondContact O-N 3.46Å; D967-T971 PolarHBondContact O-OG1 3.01Å; D967-T971 VanDerWaalsContact O-OG1 3.04Å; T971-T974 PolarHBondContact O-OG1 3.31Å; T971-A976 HydrophobicContact CG2-CB 3.6Å; T971-A976 WeakPolarHBondContact O-CB 3.4Å; T971-A976 PolarHBondContact O-N 2.96Å; T971-A976 VanDerWaalsContact O-N 3.13Å; T971-I981 HydrophobicContact CG2-CG2 4.1Å; T971-M984 HydrophobicContact CG2-SD 3.93Å
972	W	96.4	Very high	94.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-48.2	166.8	-174.9	-113.5	0	0	0	111.9	V968 V969 Y970 T974 G975 A976 F978 I981 M996 I1029 R1031 D1032 V1034	V968-W972 WeakPolarHBondContact O-CB 3.48Å; V968-W972 PolarHBondContact O-N 3.05Å; V969-W972 PolarHBondContact O-N 2.68Å; Y970-W972 VanDerWaalsContact C-N 3.3Å; Y970-W972 PolarHBondContact O-N 3.43Å; W972-T974 VanDerWaalsContact C-N 3.26Å; W972-T974 PolarHBondContact O-N 3.24Å; W972-G975 PolarHBondContact O-N 2.98Å; W972-A976 VanDerWaalsContact CE3-O 3.28Å; W972-A976 VanDerWaalsContact CZ3-O 3.25Å; W972-A976 WeakPolarHBondContact CZ3-O 3.26Å; W972-F978 HydrophobicContact CH2-CB 4.35Å; W972-F978 HydrophobicContact CH2-CD2 4.5Å; W972-F978 HydrophobicContact CZ3-CB 3.99Å; W972-F978 HydrophobicContact CZ3-CD2 4.31Å; W972-I981 HydrophobicContact CB-CD1 4.17Å; W972-I981 HydrophobicContact CB-CG2 4.44Å; W972-I981 HydrophobicContact CD2-CD1 4.07Å; W972-I981 HydrophobicContact CE3-CD1 3.71Å; W972-I981 HydrophobicContact CE3-CG1 4.4Å; W972-I981 HydrophobicContact CG-CD1 4.29Å; W972-I981 HydrophobicContact CZ3-CD1 4.47Å; W972-M996 HydrophobicContact CB-CE 3.56Å; W972-M996 VanDerWaalsContact CD1-CE 3.47Å; W972-M996 HydrophobicContact CD2-CE 4.38Å; W972-M996 HydrophobicContact CG-CE 3.52Å; W972-M996 HydrophobicContact CG-SD 4.32Å; W972-I1029 PolarHBondContact NE1-O 2.95Å; W972-R1031 VanDerWaalsContact CE3-NH2 3.25Å; W972-R1031 HydrophobicContact CH2-CG 4.21Å; W972-R1031 VanDerWaalsContact CH2-NH1 3.33Å; W972-R1031 HydrophobicContact CZ2-CG 3.62Å; W972-R1031 PolarHBondContact O-NH2 2.77Å; W972-D1032 HydrophobicContact CH2-CB 4.09Å; W972-V1034 HydrophobicContact CH2-CG2 3.82Å; W972-V1034 HydrophobicContact CZ2-CB 4.1Å; W972-V1034 HydrophobicContact CZ2-CG2 3.36Å
973	A	95.9	Very high	94.1	Very high	6 Å²	6	33.3 Å²	33.3	5%	0.05	19%	0.19	C	C	.	.	H	α-helix	trans	-65	-26.4	-179.4	0	0	0	0	0	113.4	E902 V969 Y970 G975 K1028 I1029	E902-A973 HydrophobicContact CB-CB 3.87Å; E902-A973 HydrophobicContact CG-CB 3.8Å; V969-A973 WeakPolarHBondContact O-CB 3.44Å; V969-A973 PolarHBondContact O-N 3.29Å; Y970-A973 PolarHBondContact O-N 2.97Å; Y970-A973 VanDerWaalsContact O-N 3.1Å; A973-G975 VanDerWaalsContact C-N 3.3Å; A973-G975 PolarHBondContact O-N 3.49Å; A973-K1028 HydrophobicContact CB-CB 4.29Å; A973-I1029 HydrophobicContact CB-CG2 4.31Å
974	T	95.8	Very high	94	Very high	78 Å²	78	35.5 Å²	35.5	48%	0.479	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3	172.1	62.8	0	0	0	0	114.4	E902 Y970 T971 W972	E902-T974 HydrophobicContact CB-CG2 4.42Å; E902-T974 HydrophobicContact CG-CG2 3.97Å; Y970-T974 HydrophobicContact CD1-CG2 4.48Å; Y970-T974 HydrophobicContact CE1-CG2 4.12Å; Y970-T974 HydrophobicContact CE2-CG2 4.44Å; Y970-T974 WeakPolarHBondContact O-CG2 3.5Å; Y970-T974 PolarHBondContact O-N 3.29Å; Y970-T974 PolarHBondContact O-OG1 2.82Å; T971-T974 PolarHBondContact O-OG1 3.31Å; W972-T974 VanDerWaalsContact C-N 3.26Å; W972-T974 PolarHBondContact O-N 3.24Å
975	G	94.3	Very high	94	Very high	49 Å²	49	35 Å²	35	51%	0.505	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.9	12.7	169.9	0	0	0	0	0	117.4	W972 A973 R1031	W972-G975 PolarHBondContact O-N 2.98Å; A973-G975 VanDerWaalsContact C-N 3.3Å; A973-G975 PolarHBondContact O-N 3.49Å; G975-R1031 VanDerWaalsContact C-NH2 3.29Å
976	A	95.1	Very high	93.7	Very high	23 Å²	23	38 Å²	38	19%	0.19	22%	0.215	C	C	.	.			trans	-68	156.8	177.8	0	0	0	0	0	113.3	T971 W972 H980 I981 R1031	T971-A976 HydrophobicContact CG2-CB 3.6Å; T971-A976 WeakPolarHBondContact O-CB 3.4Å; T971-A976 PolarHBondContact O-N 2.96Å; T971-A976 VanDerWaalsContact O-N 3.13Å; W972-A976 VanDerWaalsContact CE3-O 3.28Å; W972-A976 VanDerWaalsContact CZ3-O 3.25Å; W972-A976 WeakPolarHBondContact CZ3-O 3.26Å; A976-H980 HydrophobicContact CB-CB 4.44Å; A976-I981 HydrophobicContact CB-CG2 4.31Å; A976-R1031 PolarHBondContact O-NH1 2.94Å; A976-R1031 PolarHBondContact O-NH2 3.05Å
977	T	94.2	Very high	93.6	Very high	69 Å²	69	38.6 Å²	38.6	42%	0.423	22%	0.219	S	C	.	.			trans	-73.8	155.6	176.9	61.1	0	0	0	0	112.2	A979 H980 I981	T977-A979 VanDerWaalsContact C-N 3.25Å; T977-A979 PolarHBondContact O-N 2.97Å; T977-H980 WeakPolarHBondContact O-CB 3.34Å; T977-H980 PolarHBondContact O-N 3.42Å; T977-I981 PolarHBondContact O-N 3.44Å
978	F	94	Very high	93.4	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-36.6	-178.3	-169.2	-100.9	0	0	0	111.3	L437 L459 W972 H980 I981 C982 E989 I992 I993 I1033 V1034	L437-F978 HydrophobicContact CD1-CD1 3.77Å; L437-F978 HydrophobicContact CD1-CE1 4.38Å; L437-F978 HydrophobicContact CD2-CD1 4.09Å; L459-F978 HydrophobicContact CD2-CE1 3.78Å; L459-F978 HydrophobicContact CD2-CZ 4.11Å; W972-F978 HydrophobicContact CH2-CB 4.35Å; W972-F978 HydrophobicContact CH2-CD2 4.5Å; W972-F978 HydrophobicContact CZ3-CB 3.99Å; W972-F978 HydrophobicContact CZ3-CD2 4.31Å; F978-H980 PolarHBondContact O-N 3.46Å; F978-I981 HydrophobicContact CD2-CD1 3.93Å; F978-I981 HydrophobicContact CD2-CG1 4.25Å; F978-I981 HydrophobicContact CE2-CD1 4.2Å; F978-I981 WeakPolarHBondContact O-CG1 3.3Å; F978-I981 PolarHBondContact O-N 3.44Å; F978-C982 WeakPolarHBondContact CE1-SG 3.27Å; F978-C982 VanDerWaalsContact CZ-SG 3.56Å; F978-C982 PolarHBondContact O-N 3.4Å; F978-C982 VanDerWaalsContact O-N 3.16Å; F978-C982 PolarHBondContact O-SG 2.88Å; F978-E989 HydrophobicContact CE1-CB 4.06Å; F978-E989 HydrophobicContact CZ-CB 4.1Å; F978-I992 HydrophobicContact CE2-CG2 4.39Å; F978-I993 HydrophobicContact CE1-CD1 4.38Å; F978-I993 HydrophobicContact CE2-CD1 4.07Å; F978-I993 HydrophobicContact CE2-CG1 3.7Å; F978-I993 HydrophobicContact CZ-CD1 3.72Å; F978-I993 HydrophobicContact CZ-CG1 3.66Å; F978-I1033 HydrophobicContact CB-CG2 3.78Å; F978-I1033 HydrophobicContact CD1-CG2 3.8Å; F978-I1033 HydrophobicContact CD2-CG2 3.9Å; F978-I1033 HydrophobicContact CE1-CG2 4.38Å; F978-I1033 HydrophobicContact CE2-CG2 4.48Å; F978-I1033 HydrophobicContact CG-CG2 3.54Å; F978-V1034 HydrophobicContact CD2-CG2 3.71Å; F978-V1034 HydrophobicContact CE2-CG2 3.87Å
979	A	92.3	Very high	93.3	Very high	25 Å²	25	40.9 Å²	40.9	21%	0.207	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-12.3	172.6	0	0	0	0	0	115.2	L437 T977 K983	L437-A979 HydrophobicContact CD2-CB 3.68Å; T977-A979 VanDerWaalsContact C-N 3.25Å; T977-A979 PolarHBondContact O-N 2.97Å; A979-K983 VanDerWaalsContact O-CD 3.32Å; A979-K983 WeakPolarHBondContact O-CD 3.42Å; A979-K983 WeakPolarHBondContact O-CE 3.47Å; A979-K983 PolarHBondContact O-NZ 3.43Å
980	H	93.1	Very high	93.1	Very high	94 Å²	94	41 Å²	41	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-88.9	-52.3	171	-179	71.2	0	0	0	110.9	A976 T977 F978 C982 K983	A976-H980 HydrophobicContact CB-CB 4.44Å; T977-H980 WeakPolarHBondContact O-CB 3.34Å; T977-H980 PolarHBondContact O-N 3.42Å; F978-H980 PolarHBondContact O-N 3.46Å; H980-C982 VanDerWaalsContact C-N 3.28Å; H980-C982 PolarHBondContact O-N 2.96Å; H980-K983 WeakPolarHBondContact O-CB 3.39Å; H980-K983 PolarHBondContact O-N 3.26Å
981	I	93.6	Very high	92.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-30.7	-175.5	66.8	166.8	0	0	0	112.8	V968 T971 W972 A976 T977 F978 K983 M984 I992 M996	V968-I981 HydrophobicContact CG1-CB 3.95Å; V968-I981 HydrophobicContact CG1-CD1 4.23Å; V968-I981 HydrophobicContact CG1-CG1 4.47Å; T971-I981 HydrophobicContact CG2-CG2 4.1Å; W972-I981 HydrophobicContact CB-CD1 4.17Å; W972-I981 HydrophobicContact CB-CG2 4.44Å; W972-I981 HydrophobicContact CD2-CD1 4.07Å; W972-I981 HydrophobicContact CE3-CD1 3.71Å; W972-I981 HydrophobicContact CE3-CG1 4.4Å; W972-I981 HydrophobicContact CG-CD1 4.29Å; W972-I981 HydrophobicContact CZ3-CD1 4.47Å; A976-I981 HydrophobicContact CB-CG2 4.31Å; T977-I981 PolarHBondContact O-N 3.44Å; F978-I981 HydrophobicContact CD2-CD1 3.93Å; F978-I981 HydrophobicContact CD2-CG1 4.25Å; F978-I981 HydrophobicContact CE2-CD1 4.2Å; F978-I981 WeakPolarHBondContact O-CG1 3.3Å; F978-I981 PolarHBondContact O-N 3.44Å; I981-K983 PolarHBondContact O-N 3.31Å; I981-K983 VanDerWaalsContact O-N 3.11Å; I981-M984 HydrophobicContact CB-SD 4.47Å; I981-M984 HydrophobicContact CG2-SD 4.33Å; I981-M984 WeakPolarHBondContact O-CB 3.41Å; I981-M984 PolarHBondContact O-N 2.88Å; I981-M984 VanDerWaalsContact O-N 3.09Å; I981-I992 HydrophobicContact CD1-CG2 4.24Å; I981-M996 HydrophobicContact CD1-CE 4.16Å
982	C	91.6	Very high	92.7	Very high	24 Å²	24	37.3 Å²	37.3	16%	0.162	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-6.2	173.9	-62.2	0	0	0	0	114.2	F978 H980 E989	F978-C982 WeakPolarHBondContact CE1-SG 3.27Å; F978-C982 VanDerWaalsContact CZ-SG 3.56Å; F978-C982 PolarHBondContact O-N 3.4Å; F978-C982 VanDerWaalsContact O-N 3.16Å; F978-C982 PolarHBondContact O-SG 2.88Å; H980-C982 VanDerWaalsContact C-N 3.28Å; H980-C982 PolarHBondContact O-N 2.96Å; C982-E989 HydrophobicContact CB-CG 4.35Å
983	K	91	Very high	92.6	Very high	168 Å²	168	37.3 Å²	37.3	73%	0.73	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.9	174.5	-63.1	168.6	-177.8	147.7	0	112.8	A979 H980 I981	A979-K983 VanDerWaalsContact O-CD 3.32Å; A979-K983 WeakPolarHBondContact O-CD 3.42Å; A979-K983 WeakPolarHBondContact O-CE 3.47Å; A979-K983 PolarHBondContact O-NZ 3.43Å; H980-K983 WeakPolarHBondContact O-CB 3.39Å; H980-K983 PolarHBondContact O-N 3.26Å; I981-K983 PolarHBondContact O-N 3.31Å; I981-K983 VanDerWaalsContact O-N 3.11Å
984	M	90.3	Very high	92.3	Very high	58 Å²	58	41.6 Å²	41.6	29%	0.286	23%	0.228	S	C	.	.	S	Bend	trans	-94	-10.5	-178.4	-63.1	175	60.6	0	0	113.7	D967 V968 T971 I981	D967-M984 HydrophobicContact CB-CE 4.07Å; V968-M984 HydrophobicContact CG2-CB 4.15Å; T971-M984 HydrophobicContact CG2-SD 3.93Å; I981-M984 HydrophobicContact CB-SD 4.47Å; I981-M984 HydrophobicContact CG2-SD 4.33Å; I981-M984 WeakPolarHBondContact O-CB 3.41Å; I981-M984 PolarHBondContact O-N 2.88Å; I981-M984 VanDerWaalsContact O-N 3.09Å
985	T	90.4	Very high	92.2	Very high	23 Å²	23	38.1 Å²	38.1	14%	0.141	21%	0.207	C	C	.	.			trans	-148.7	158.2	-169.2	-176.1	0	0	0	0	112.3	L965 V968 V987 I992	L965-T985 HydrophobicContact CD2-CG2 4.1Å; V968-T985 HydrophobicContact CG2-CG2 4.11Å; T985-V987 VanDerWaalsContact C-N 3.29Å; T985-V987 HydrophobicContact CG2-CB 4.09Å; T985-V987 WeakPolarHBondContact OG1-CG2 3.45Å; T985-V987 PolarHBondContact OG1-N 3.07Å; T985-I992 HydrophobicContact CG2-CD1 3.78Å
986	D	88.8	Confident	92.1	Very high	64 Å²	64	35.8 Å²	35.8	34%	0.342	18%	0.183	S	C	.	.	S	Bend	trans	-83.6	-1.7	173.2	72.5	-22.3	0	0	0	113.6	S917 S918	S917-D986 WeakPolarHBondContact CB-OD1 3.35Å; S917-D986 PolarHBondContact OG-OD1 3.02Å; S918-D986 WeakPolarHBondContact CB-OD2 3.47Å; S918-D986 PolarHBondContact N-OD2 2.9Å; S918-D986 PolarHBondContact OG-OD2 3.31Å
987	V	91.3	Very high	92	Very high	13 Å²	13	37 Å²	37	8%	0.079	18%	0.182	C	C	.	.	S	Bend	trans	-79.6	128.8	-176.5	177.1	0	0	0	0	111.6	F913 L965 T985 I992	F913-V987 HydrophobicContact CE2-CG1 4.11Å; F913-V987 HydrophobicContact CE2-CG2 4.31Å; F913-V987 HydrophobicContact CZ-CG1 4.46Å; F913-V987 HydrophobicContact CZ-CG2 3.86Å; L965-V987 HydrophobicContact CD2-CB 4.37Å; L965-V987 HydrophobicContact CD2-CG2 4.27Å; T985-V987 VanDerWaalsContact C-N 3.29Å; T985-V987 HydrophobicContact CG2-CB 4.09Å; T985-V987 WeakPolarHBondContact OG1-CG2 3.45Å; T985-V987 PolarHBondContact OG1-N 3.07Å; V987-I992 HydrophobicContact CB-CG1 4.4Å; V987-I992 HydrophobicContact CG1-CG1 4.02Å
988	F	91.1	Very high	91.8	Very high	40 Å²	40	37.3 Å²	37.3	18%	0.175	18%	0.176	C	C	.	.			trans	-54	144.7	176.4	-72.1	-84.7	0	0	0	113.4	K395 K396 E399 G990 S991 I992	K395-F988 HydrophobicContact CB-CE1 4.46Å; K395-F988 HydrophobicContact CB-CE2 3.92Å; K395-F988 HydrophobicContact CB-CZ 3.78Å; K395-F988 HydrophobicContact CD-CD2 3.61Å; K395-F988 HydrophobicContact CD-CE2 3.6Å; K395-F988 HydrophobicContact CD-CG 4.27Å; K395-F988 HydrophobicContact CD-CZ 4.26Å; K395-F988 HydrophobicContact CG-CE2 4.36Å; K396-F988 HydrophobicContact CG-CE2 4.49Å; K396-F988 HydrophobicContact CG-CZ 3.83Å; E399-F988 WeakPolarHBondContact OE1-CE1 3.34Å; F988-G990 PolarHBondContact O-N 2.99Å; F988-S991 CarbonylContact O-C 3.6Å; F988-S991 VanDerWaalsContact O-CA 3.3Å; F988-S991 WeakPolarHBondContact O-CA 3.38Å; F988-S991 WeakPolarHBondContact O-CB 3.44Å; F988-S991 PolarHBondContact O-N 3.27Å; F988-I992 PolarHBondContact O-N 2.85Å
989	E	91.8	Very high	91.9	Very high	39 Å²	39	37.2 Å²	37.2	18%	0.182	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-41.2	-169.1	-52	81.3	176.3	0	0	112.4	Q439 L459 F978 C982 S991 I992 I993	Q439-E989 HydrophobicContact CG-CG 4.01Å; Q439-E989 WeakPolarHBondContact CG-OE1 3.4Å; Q439-E989 PolarHBondContact NE2-OE1 3.29Å; L459-E989 HydrophobicContact CD2-CB 3.64Å; L459-E989 HydrophobicContact CG-CB 4.42Å; F978-E989 HydrophobicContact CE1-CB 4.06Å; F978-E989 HydrophobicContact CZ-CB 4.1Å; C982-E989 HydrophobicContact CB-CG 4.35Å; E989-S991 PolarHBondContact O-N 3.45Å; E989-I992 WeakPolarHBondContact O-CB 3.19Å; E989-I992 PolarHBondContact O-N 3.08Å; E989-I993 WeakPolarHBondContact O-CG1 3.26Å; E989-I993 PolarHBondContact O-N 3.38Å
990	G	91.1	Very high	92	Very high	4 Å²	4	36.3 Å²	36.3	4%	0.041	17%	0.167	C	C	.	.	H	α-helix	trans	-68.6	-19.1	172.1	0	0	0	0	0	114.1	G457 L458 F988 R994	G457-G990 VanDerWaalsContact O-CA 3.26Å; G457-G990 WeakPolarHBondContact O-CA 3.03Å; G457-G990 PolarHBondContact O-N 3.22Å; L458-G990 WeakPolarHBondContact O-CA 3.42Å; F988-G990 PolarHBondContact O-N 2.99Å; G990-R994 WeakPolarHBondContact O-CB 3.24Å; G990-R994 PolarHBondContact O-N 3.14Å; G990-R994 VanDerWaalsContact O-N 3.1Å
991	S	91	Very high	91.9	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.028	16%	0.156	C	C	.	.	H	α-helix	trans	-82	-36.4	172.3	-44.5	0	0	0	0	110.5	K395 G456 E915 F988 E989 R994 C995	K395-S991 PolarHBondContact NZ-OG 2.85Å; G456-S991 PolarHBondContact O-OG 3Å; E915-S991 PolarHBondContact OE1-OG 3.18Å; E915-S991 PolarHBondContact OE2-OG 3.42Å; F988-S991 CarbonylContact O-C 3.6Å; F988-S991 VanDerWaalsContact O-CA 3.3Å; F988-S991 WeakPolarHBondContact O-CA 3.38Å; F988-S991 WeakPolarHBondContact O-CB 3.44Å; F988-S991 PolarHBondContact O-N 3.27Å; E989-S991 PolarHBondContact O-N 3.45Å; S991-R994 PolarHBondContact O-N 3.01Å; S991-C995 PolarHBondContact O-N 3.48Å
992	I	93.8	Very high	92	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-49.1	167.9	-58	175	0	0	0	110.1	V968 F978 I981 T985 V987 F988 E989 R994 C995 M996	V968-I992 HydrophobicContact CG1-CG2 4.37Å; F978-I992 HydrophobicContact CE2-CG2 4.39Å; I981-I992 HydrophobicContact CD1-CG2 4.24Å; T985-I992 HydrophobicContact CG2-CD1 3.78Å; V987-I992 HydrophobicContact CB-CG1 4.4Å; V987-I992 HydrophobicContact CG1-CG1 4.02Å; F988-I992 PolarHBondContact O-N 2.85Å; E989-I992 WeakPolarHBondContact O-CB 3.19Å; E989-I992 PolarHBondContact O-N 3.08Å; I992-R994 VanDerWaalsContact C-N 3.35Å; I992-R994 PolarHBondContact O-N 3.33Å; I992-C995 WeakPolarHBondContact O-CB 3.42Å; I992-C995 PolarHBondContact O-N 2.76Å; I992-C995 VanDerWaalsContact O-N 3.16Å; I992-M996 HydrophobicContact CG2-CE 4.41Å; I992-M996 HydrophobicContact CG2-CG 4.49Å; I992-M996 WeakPolarHBondContact O-CG 3.33Å; I992-M996 PolarHBondContact O-N 3.04Å
993	I	93.3	Very high	92.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-38.1	178.5	-65.5	176.5	0	0	0	111.7	L459 P460 F978 E989 C995 M996 R997 I1033 V1034	L459-I993 HydrophobicContact CD2-CD1 3.56Å; P460-I993 HydrophobicContact CG-CB 4.39Å; P460-I993 HydrophobicContact CG-CG2 3.71Å; F978-I993 HydrophobicContact CE1-CD1 4.38Å; F978-I993 HydrophobicContact CE2-CD1 4.07Å; F978-I993 HydrophobicContact CE2-CG1 3.7Å; F978-I993 HydrophobicContact CZ-CD1 3.72Å; F978-I993 HydrophobicContact CZ-CG1 3.66Å; E989-I993 WeakPolarHBondContact O-CG1 3.26Å; E989-I993 PolarHBondContact O-N 3.38Å; I993-C995 VanDerWaalsContact C-N 3.34Å; I993-C995 PolarHBondContact O-N 2.85Å; I993-M996 PolarHBondContact O-N 2.94Å; I993-R997 HydrophobicContact CG2-CG 4.32Å; I993-R997 WeakPolarHBondContact O-CG 3.04Å; I993-R997 PolarHBondContact O-N 3.11Å; I993-I1033 HydrophobicContact CD1-CG1 4.34Å; I993-V1034 HydrophobicContact CG1-CG1 4.37Å; I993-V1034 HydrophobicContact CG1-CG2 4.3Å; I993-V1034 HydrophobicContact CG2-CG1 4.19Å; I993-V1034 WeakPolarHBondContact CG2-O 3.14Å
994	R	89.8	Confident	92.4	Very high	95 Å²	95	30 Å²	30	36%	0.358	13%	0.133	S	C	.	.	H	α-helix	trans	-62.2	-41.6	173.7	-168.4	-170.8	-51.4	117.2	21.2	112	G456 E915 G990 S991 I992 R997 R998	G456-R994 PolarHBondContact O-NH2 3.12Å; E915-R994 IonicContact OE1-CZ 3.14Å; E915-R994 IonicContact OE1-NH1 2.68Å; E915-R994 PolarHBondContact OE1-NH1 3.42Å; G990-R994 WeakPolarHBondContact O-CB 3.24Å; G990-R994 PolarHBondContact O-N 3.14Å; G990-R994 VanDerWaalsContact O-N 3.1Å; S991-R994 PolarHBondContact O-N 3.01Å; I992-R994 VanDerWaalsContact C-N 3.35Å; I992-R994 PolarHBondContact O-N 3.33Å; R994-R997 PolarHBondContact O-N 3.07Å; R994-R998 PolarHBondContact O-N 3.35Å
995	C	93.6	Very high	92.6	Very high	6 Å²	6	28.4 Å²	28.4	4%	0.041	13%	0.125	C	C	.	.	H	α-helix	trans	-59.3	-51.1	174.3	-174.6	0	0	0	0	110.7	F913 L965 S991 I992 I993 R997 R998 L999	F913-C995 HydrophobicContact CD2-CB 4.43Å; L965-C995 HydrophobicContact CD1-CB 3.97Å; S991-C995 PolarHBondContact O-N 3.48Å; I992-C995 WeakPolarHBondContact O-CB 3.42Å; I992-C995 PolarHBondContact O-N 2.76Å; I992-C995 VanDerWaalsContact O-N 3.16Å; I993-C995 VanDerWaalsContact C-N 3.34Å; I993-C995 PolarHBondContact O-N 2.85Å; C995-R997 PolarHBondContact O-N 3.41Å; C995-R998 PolarHBondContact O-N 3.12Å; C995-L999 VanDerWaalsContact O-CB 3.31Å; C995-L999 WeakPolarHBondContact O-CB 3.47Å; C995-L999 PolarHBondContact O-N 3.11Å
996	M	94	Very high	92.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.2	-40.9	178.6	-66.5	-71	-172.2	0	0	113.5	V969 W972 I981 I992 I993 L999 E1000 V1034 F1035	V969-M996 HydrophobicContact CB-CE 4.42Å; V969-M996 HydrophobicContact CG2-CE 3.8Å; V969-M996 HydrophobicContact CG2-SD 4.05Å; W972-M996 HydrophobicContact CB-CE 3.56Å; W972-M996 VanDerWaalsContact CD1-CE 3.47Å; W972-M996 HydrophobicContact CD2-CE 4.38Å; W972-M996 HydrophobicContact CG-CE 3.52Å; W972-M996 HydrophobicContact CG-SD 4.32Å; I981-M996 HydrophobicContact CD1-CE 4.16Å; I992-M996 HydrophobicContact CG2-CE 4.41Å; I992-M996 HydrophobicContact CG2-CG 4.49Å; I992-M996 WeakPolarHBondContact O-CG 3.33Å; I992-M996 PolarHBondContact O-N 3.04Å; I993-M996 PolarHBondContact O-N 2.94Å; M996-L999 WeakPolarHBondContact O-CB 3.24Å; M996-L999 PolarHBondContact O-N 2.81Å; M996-E1000 PolarHBondContact O-N 2.78Å; M996-V1034 HydrophobicContact CB-CG1 3.34Å; M996-V1034 HydrophobicContact CG-CG1 3.81Å; M996-F1035 HydrophobicContact CB-CE2 4.49Å
997	R	91.2	Very high	93.2	Very high	48 Å²	48	25.1 Å²	25.1	18%	0.181	11%	0.107	C	C	.	.	H	α-helix	trans	-67.3	-43	177.7	-71.2	-175.2	-175.9	-152.6	-2.6	111.8	I993 R994 C995 L999 E1000 E1001 V1034 F1035 A1036	I993-R997 HydrophobicContact CG2-CG 4.32Å; I993-R997 WeakPolarHBondContact O-CG 3.04Å; I993-R997 PolarHBondContact O-N 3.11Å; R994-R997 PolarHBondContact O-N 3.07Å; C995-R997 PolarHBondContact O-N 3.41Å; R997-L999 VanDerWaalsContact C-N 3.28Å; R997-L999 PolarHBondContact O-N 3.47Å; R997-E1000 PolarHBondContact O-N 2.98Å; R997-E1001 PolarHBondContact O-N 3.39Å; R997-V1034 PolarHBondContact NE-O 3Å; R997-V1034 PolarHBondContact NH2-O 3.19Å; R997-F1035 HydrophobicContact CG-CD1 4.33Å; R997-F1035 HydrophobicContact CG-CE1 3.94Å; R997-F1035 HydrophobicContact CG-CZ 4.34Å; R997-A1036 PolarHBondContact NH2-O 3.12Å
998	R	91.8	Very high	93.3	Very high	76 Å²	76	28.8 Å²	28.8	29%	0.287	12%	0.124	S	C	.	.	H	α-helix	trans	-63.4	-33.2	171.3	-80.9	-179.2	160.2	179.5	-7.5	112.6	V912 R994 C995 E1001 L1002	V912-R998 HydrophobicContact CB-CB 3.9Å; V912-R998 HydrophobicContact CG1-CB 4.08Å; R994-R998 PolarHBondContact O-N 3.35Å; C995-R998 PolarHBondContact O-N 3.12Å; R998-E1001 PolarHBondContact O-N 3.42Å; R998-L1002 WeakPolarHBondContact O-CB 3.03Å; R998-L1002 PolarHBondContact O-N 2.86Å
999	L	95.3	Very high	93.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-67.9	-36	176.4	-174.1	58	0	0	0	112	T905 L908 V912 V969 C995 M996 R997 L1002 L1003 I1029	T905-L999 HydrophobicContact CG2-CD2 3.75Å; T905-L999 HydrophobicContact CG2-CG 4.3Å; L908-L999 HydrophobicContact CB-CD1 3.54Å; V912-L999 HydrophobicContact CG2-CB 4.06Å; V912-L999 HydrophobicContact CG2-CD1 4.23Å; V969-L999 HydrophobicContact CG1-CD2 3.57Å; V969-L999 HydrophobicContact CG2-CD2 4.27Å; C995-L999 VanDerWaalsContact O-CB 3.31Å; C995-L999 WeakPolarHBondContact O-CB 3.47Å; C995-L999 PolarHBondContact O-N 3.11Å; M996-L999 WeakPolarHBondContact O-CB 3.24Å; M996-L999 PolarHBondContact O-N 2.81Å; R997-L999 VanDerWaalsContact C-N 3.28Å; R997-L999 PolarHBondContact O-N 3.47Å; L999-L1002 PolarHBondContact O-N 3.32Å; L999-L1003 HydrophobicContact CG-CD1 4.4Å; L999-L1003 WeakPolarHBondContact O-CB 3.4Å; L999-L1003 VanDerWaalsContact O-CG 3.29Å; L999-L1003 WeakPolarHBondContact O-CG 3.29Å; L999-L1003 PolarHBondContact O-N 3.4Å; L999-I1029 HydrophobicContact CB-CD1 4.34Å; L999-I1029 HydrophobicContact CD2-CD1 4.29Å; L999-I1029 HydrophobicContact CG-CD1 4.11Å
1000	E	94.8	Very high	93.6	Very high	6 Å²	6	25 Å²	25	3%	0.028	11%	0.107	C	C	.	.	H	α-helix	trans	-69.1	-41.8	173	-162.1	-102.3	-151.4	0	0	111.6	M996 R997 L1002 L1003 R1004 I1026 I1029 K1030 F1035	M996-E1000 PolarHBondContact O-N 2.78Å; R997-E1000 PolarHBondContact O-N 2.98Å; E1000-L1002 VanDerWaalsContact C-N 3.33Å; E1000-L1002 PolarHBondContact O-N 3.04Å; E1000-L1003 PolarHBondContact O-N 2.88Å; E1000-R1004 VanDerWaalsContact CD-NE 3.3Å; E1000-R1004 WeakPolarHBondContact O-CG 3.15Å; E1000-R1004 PolarHBondContact O-N 3.01Å; E1000-R1004 IonicContact OE1-CZ 3.87Å; E1000-R1004 IonicContact OE1-NE 2.67Å; E1000-R1004 PolarHBondContact OE1-NE 2.92Å; E1000-R1004 IonicContact OE1-NH2 2.77Å; E1000-R1004 PolarHBondContact OE1-NH2 3.14Å; E1000-R1004 WeakPolarHBondContact OE2-CD 3.2Å; E1000-R1004 IonicContact OE2-CZ 3.38Å; E1000-R1004 IonicContact OE2-NE 3.42Å; E1000-R1004 PolarHBondContact OE2-NE 2.98Å; E1000-R1004 IonicContact OE2-NH2 3.36Å; E1000-I1026 HydrophobicContact CG-CG1 4.41Å; E1000-I1026 HydrophobicContact CG-CG2 3.87Å; E1000-I1029 HydrophobicContact CB-CD1 4.05Å; E1000-K1030 VanDerWaalsContact OE1-CD 3.3Å; E1000-K1030 WeakPolarHBondContact OE1-CD 3.27Å; E1000-K1030 WeakPolarHBondContact OE1-CE 3.43Å; E1000-K1030 IonicContact OE1-NZ 3.35Å; E1000-K1030 PolarHBondContact OE1-NZ 2.91Å; E1000-F1035 HydrophobicContact CB-CE1 3.71Å; E1000-F1035 HydrophobicContact CB-CZ 3.65Å; E1000-F1035 HydrophobicContact CG-CE1 3.88Å; E1000-F1035 HydrophobicContact CG-CZ 4.02Å
1001	E	91.4	Very high	93.8	Very high	43 Å²	43	30.2 Å²	30.2	20%	0.201	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-42.5	172.6	-162.5	-176.5	119.9	0	0	111.6	K191 S881 R997 R998 R1004 Q1005	K191-E1001 IonicContact NZ-OE2 3.67Å; K191-E1001 PolarHBondContact NZ-OE2 2.95Å; S881-E1001 PolarHBondContact OG-OE1 3.02Å; R997-E1001 PolarHBondContact O-N 3.39Å; R998-E1001 PolarHBondContact O-N 3.42Å; E1001-R1004 WeakPolarHBondContact O-CB 3.16Å; E1001-R1004 PolarHBondContact O-N 3.4Å; E1001-Q1005 WeakPolarHBondContact O-CG 3.45Å; E1001-Q1005 PolarHBondContact O-N 3Å
1002	L	95.4	Very high	93.7	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.5	-44.4	173.5	179.2	57.5	0	0	0	112.2	I879 A882 L887 L908 F911 V912 R998 L999 E1000 R1004 Q1005 M1006	I879-L1002 HydrophobicContact CG2-CD1 4.31Å; A882-L1002 HydrophobicContact CB-CD1 3.67Å; A882-L1002 HydrophobicContact CB-CD2 3.81Å; A882-L1002 HydrophobicContact CB-CG 4.38Å; L887-L1002 HydrophobicContact CD1-CD1 3.82Å; L887-L1002 HydrophobicContact CD1-CD2 4.37Å; L908-L1002 HydrophobicContact CB-CD2 4.27Å; L908-L1002 HydrophobicContact CD2-CD2 4.09Å; F911-L1002 HydrophobicContact CB-CD2 4.13Å; V912-L1002 HydrophobicContact CG1-CB 4.13Å; V912-L1002 HydrophobicContact CG1-CD2 3.77Å; R998-L1002 WeakPolarHBondContact O-CB 3.03Å; R998-L1002 PolarHBondContact O-N 2.86Å; L999-L1002 PolarHBondContact O-N 3.32Å; E1000-L1002 VanDerWaalsContact C-N 3.33Å; E1000-L1002 PolarHBondContact O-N 3.04Å; L1002-R1004 VanDerWaalsContact C-N 3.27Å; L1002-R1004 PolarHBondContact O-N 3.43Å; L1002-Q1005 CarbonylContact O-C 3.54Å; L1002-Q1005 WeakPolarHBondContact O-CA 3.44Å; L1002-Q1005 WeakPolarHBondContact O-CB 3.29Å; L1002-Q1005 PolarHBondContact O-N 3.28Å; L1002-M1006 HydrophobicContact CD1-CG 4.32Å; L1002-M1006 HydrophobicContact CG-CG 4.37Å; L1002-M1006 WeakPolarHBondContact O-CG 3.37Å; L1002-M1006 PolarHBondContact O-N 2.85Å
1003	L	96.3	Very high	93.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-36.1	177	-79.2	164.4	0	0	0	111.9	T905 L908 L999 E1000 Q1005 M1006 C1007 F1022 I1026 I1029	T905-L1003 HydrophobicContact CG2-CD1 4.11Å; L908-L1003 HydrophobicContact CD1-CD2 3.53Å; L908-L1003 HydrophobicContact CD1-CG 4.24Å; L999-L1003 HydrophobicContact CG-CD1 4.4Å; L999-L1003 WeakPolarHBondContact O-CB 3.4Å; L999-L1003 VanDerWaalsContact O-CG 3.29Å; L999-L1003 WeakPolarHBondContact O-CG 3.29Å; L999-L1003 PolarHBondContact O-N 3.4Å; E1000-L1003 PolarHBondContact O-N 2.88Å; L1003-Q1005 VanDerWaalsContact C-N 3.32Å; L1003-Q1005 PolarHBondContact O-N 2.9Å; L1003-M1006 PolarHBondContact O-N 2.94Å; L1003-C1007 PolarHBondContact O-N 3.17Å; L1003-C1007 PolarHBondContact O-SG 3.28Å; L1003-C1007 VanDerWaalsContact O-SG 3.38Å; L1003-F1022 HydrophobicContact CD2-CB 4.09Å; L1003-F1022 HydrophobicContact CD2-CD1 3.76Å; L1003-F1022 HydrophobicContact CD2-CG 4.34Å; L1003-I1026 HydrophobicContact CB-CD1 3.98Å; L1003-I1026 HydrophobicContact CB-CG1 3.49Å; L1003-I1026 VanDerWaalsContact CB-CG1 3.49Å; L1003-I1026 HydrophobicContact CD1-CG1 4.05Å; L1003-I1026 HydrophobicContact CG-CG1 4.37Å; L1003-I1029 HydrophobicContact CD1-CD1 3.7Å; L1003-I1029 HydrophobicContact CD1-CG1 4.49Å
1004	R	94.1	Very high	93.5	Very high	110 Å²	110	37.5 Å²	37.5	42%	0.415	19%	0.186	S	C	.	.	H	α-helix	trans	-60.3	-41.2	171.6	-72.5	176.3	-177.9	-70.9	-20.7	112.1	E1000 E1001 L1002 C1007 Q1008 I1026	E1000-R1004 VanDerWaalsContact CD-NE 3.3Å; E1000-R1004 WeakPolarHBondContact O-CG 3.15Å; E1000-R1004 PolarHBondContact O-N 3.01Å; E1000-R1004 IonicContact OE1-CZ 3.87Å; E1000-R1004 IonicContact OE1-NE 2.67Å; E1000-R1004 PolarHBondContact OE1-NE 2.92Å; E1000-R1004 IonicContact OE1-NH2 2.77Å; E1000-R1004 PolarHBondContact OE1-NH2 3.14Å; E1000-R1004 WeakPolarHBondContact OE2-CD 3.2Å; E1000-R1004 IonicContact OE2-CZ 3.38Å; E1000-R1004 IonicContact OE2-NE 3.42Å; E1000-R1004 PolarHBondContact OE2-NE 2.98Å; E1000-R1004 IonicContact OE2-NH2 3.36Å; E1001-R1004 WeakPolarHBondContact O-CB 3.16Å; E1001-R1004 PolarHBondContact O-N 3.4Å; L1002-R1004 VanDerWaalsContact C-N 3.27Å; L1002-R1004 PolarHBondContact O-N 3.43Å; R1004-C1007 PolarHBondContact O-N 2.81Å; R1004-Q1008 WeakPolarHBondContact O-CG 3.05Å; R1004-Q1008 PolarHBondContact O-N 3.48Å; R1004-I1026 HydrophobicContact CG-CD1 3.89Å
1005	Q	94.1	Very high	93.7	Very high	24 Å²	24	35 Å²	35	11%	0.112	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-42.9	174.5	-67.9	173.4	5.4	0	0	111.1	E878 S880 S881 E1001 L1002 L1003 C1007 Q1008 A1009	E878-Q1005 VanDerWaalsContact O-CB 3.3Å; E878-Q1005 WeakPolarHBondContact O-CB 3.11Å; E878-Q1005 VanDerWaalsContact O-CG 3.28Å; E878-Q1005 WeakPolarHBondContact O-CG 3.36Å; S880-Q1005 PolarHBondContact OG-NE2 3.31Å; S880-Q1005 VanDerWaalsContact OG-NE2 3.1Å; S881-Q1005 PolarHBondContact OG-NE2 3.26Å; E1001-Q1005 WeakPolarHBondContact O-CG 3.45Å; E1001-Q1005 PolarHBondContact O-N 3Å; L1002-Q1005 CarbonylContact O-C 3.54Å; L1002-Q1005 WeakPolarHBondContact O-CA 3.44Å; L1002-Q1005 WeakPolarHBondContact O-CB 3.29Å; L1002-Q1005 PolarHBondContact O-N 3.28Å; L1003-Q1005 VanDerWaalsContact C-N 3.32Å; L1003-Q1005 PolarHBondContact O-N 2.9Å; Q1005-C1007 VanDerWaalsContact C-N 3.33Å; Q1005-C1007 PolarHBondContact O-N 3.08Å; Q1005-Q1008 PolarHBondContact O-N 3.27Å; Q1005-Q1008 VanDerWaalsContact O-N 3.15Å; Q1005-A1009 VanDerWaalsContact O-CB 3.31Å; Q1005-A1009 WeakPolarHBondContact O-CB 3.4Å; Q1005-A1009 PolarHBondContact O-N 3.13Å
1006	M	96.4	Very high	93.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-34.5	175.5	-63.3	-62.4	-69.9	0	0	112.7	I879 L887 M891 F896 L908 L1002 L1003 A1010 F1022	I879-M1006 HydrophobicContact CD1-SD 3.87Å; I879-M1006 HydrophobicContact CG1-SD 4.42Å; L887-M1006 HydrophobicContact CB-SD 4.2Å; L887-M1006 HydrophobicContact CD1-SD 4.18Å; L887-M1006 HydrophobicContact CD2-CE 4.41Å; L887-M1006 HydrophobicContact CD2-SD 4.35Å; L887-M1006 HydrophobicContact CG-SD 4.5Å; M891-M1006 HydrophobicContact CG-CE 3.75Å; M891-M1006 HydrophobicContact SD-CE 3.48Å; M891-M1006 WeakPolarHBondContact SD-CE 3.33Å; M891-M1006 HydrophobicContact SD-SD 4.27Å; F896-M1006 HydrophobicContact CD2-CE 4.4Å; F896-M1006 HydrophobicContact CE2-CE 3.8Å; F896-M1006 HydrophobicContact CZ-CE 4.04Å; L908-M1006 HydrophobicContact CD1-CG 4.21Å; L908-M1006 HydrophobicContact CD2-CE 4.29Å; L908-M1006 HydrophobicContact CD2-CG 4.29Å; L908-M1006 HydrophobicContact CD2-SD 4.43Å; L1002-M1006 HydrophobicContact CD1-CG 4.32Å; L1002-M1006 HydrophobicContact CG-CG 4.37Å; L1002-M1006 WeakPolarHBondContact O-CG 3.37Å; L1002-M1006 PolarHBondContact O-N 2.85Å; L1003-M1006 PolarHBondContact O-N 2.94Å; M1006-A1010 WeakPolarHBondContact O-CB 3.23Å; M1006-A1010 PolarHBondContact O-N 2.91Å; M1006-F1022 HydrophobicContact CB-CB 4.4Å; M1006-F1022 HydrophobicContact CB-CD1 4.08Å; M1006-F1022 HydrophobicContact CB-CD2 3.69Å; M1006-F1022 HydrophobicContact CB-CE1 4.26Å; M1006-F1022 HydrophobicContact CB-CE2 3.89Å; M1006-F1022 HydrophobicContact CB-CG 3.81Å; M1006-F1022 HydrophobicContact CB-CZ 4.17Å; M1006-F1022 HydrophobicContact CE-CE1 4.17Å; M1006-F1022 HydrophobicContact CE-CE2 3.99Å; M1006-F1022 HydrophobicContact CE-CZ 3.56Å
1007	C	95.9	Very high	93.8	Very high	18 Å²	18	46.1 Å²	46.1	12%	0.122	24%	0.237	C	C	.	.	H	α-helix	trans	-62.2	-47.6	169.8	-71.6	0	0	0	0	111.9	L1003 R1004 Q1005 A1010 K1011 F1022 A1023	L1003-C1007 PolarHBondContact O-N 3.17Å; L1003-C1007 PolarHBondContact O-SG 3.28Å; L1003-C1007 VanDerWaalsContact O-SG 3.38Å; R1004-C1007 PolarHBondContact O-N 2.81Å; Q1005-C1007 VanDerWaalsContact C-N 3.33Å; Q1005-C1007 PolarHBondContact O-N 3.08Å; C1007-A1010 PolarHBondContact O-N 3.03Å; C1007-K1011 WeakPolarHBondContact O-CB 3.42Å; C1007-K1011 PolarHBondContact O-N 3.47Å; C1007-F1022 VanDerWaalsContact SG-CB 3.53Å; C1007-A1023 PolarHBondContact SG-N 3.45Å; C1007-A1023 VanDerWaalsContact SG-N 3.44Å
1008	Q	93.6	Very high	94	Very high	91 Å²	91	44 Å²	44	43%	0.425	23%	0.229	S	C	.	.	H	α-helix	trans	-67.1	-36.7	178.5	-61.6	-69.5	14.7	0	0	111.9	E878 R1004 Q1005 K1011 A1012	E878-Q1008 HydrophobicContact CB-CB 4.35Å; R1004-Q1008 WeakPolarHBondContact O-CG 3.05Å; R1004-Q1008 PolarHBondContact O-N 3.48Å; Q1005-Q1008 PolarHBondContact O-N 3.27Å; Q1005-Q1008 VanDerWaalsContact O-N 3.15Å; Q1008-K1011 WeakPolarHBondContact O-CB 3.33Å; Q1008-K1011 PolarHBondContact O-N 3.12Å; Q1008-A1012 WeakPolarHBondContact O-CB 3.45Å; Q1008-A1012 PolarHBondContact O-N 3.07Å
1009	A	94.6	Very high	94.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-44	171.8	0	0	0	0	0	112	V875 I879 M891 Q1005 A1012 I1013	V875-A1009 HydrophobicContact CG1-CB 3.75Å; I879-A1009 HydrophobicContact CD1-CB 4.22Å; I879-A1009 HydrophobicContact CG1-CB 4.17Å; M891-A1009 HydrophobicContact CE-CB 4.09Å; M891-A1009 HydrophobicContact SD-CB 4.05Å; Q1005-A1009 VanDerWaalsContact O-CB 3.31Å; Q1005-A1009 WeakPolarHBondContact O-CB 3.4Å; Q1005-A1009 PolarHBondContact O-N 3.13Å; A1009-A1012 PolarHBondContact O-N 3.15Å; A1009-I1013 PolarHBondContact O-N 3.36Å
1010	A	94.9	Very high	94.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-39.1	175.3	0	0	0	0	0	112.2	M891 M1006 C1007 A1012 I1013 G1014 N1015 L1018 E1019 F1022	M891-A1010 HydrophobicContact CE-CB 4.11Å; M1006-A1010 WeakPolarHBondContact O-CB 3.23Å; M1006-A1010 PolarHBondContact O-N 2.91Å; C1007-A1010 PolarHBondContact O-N 3.03Å; A1010-A1012 VanDerWaalsContact C-N 3.33Å; A1010-A1012 PolarHBondContact O-N 2.79Å; A1010-I1013 WeakPolarHBondContact O-CG1 3.47Å; A1010-I1013 PolarHBondContact O-N 3.29Å; A1010-G1014 PolarHBondContact O-N 3.11Å; A1010-N1015 PolarHBondContact O-N 3.24Å; A1010-L1018 HydrophobicContact CB-CB 3.75Å; A1010-E1019 HydrophobicContact CB-CB 4.09Å; A1010-F1022 HydrophobicContact CB-CD2 4.37Å
1011	K	93.8	Very high	94.4	Very high	112 Å²	112	48.7 Å²	48.7	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-38.9	173.4	-162.3	-170.5	-154.9	83.7	0	112.2	C1007 Q1008 I1013 G1014 E1019	C1007-K1011 WeakPolarHBondContact O-CB 3.42Å; C1007-K1011 PolarHBondContact O-N 3.47Å; Q1008-K1011 WeakPolarHBondContact O-CB 3.33Å; Q1008-K1011 PolarHBondContact O-N 3.12Å; K1011-I1013 VanDerWaalsContact C-N 3.27Å; K1011-I1013 PolarHBondContact O-N 3.08Å; K1011-G1014 PolarHBondContact O-N 2.96Å; K1011-E1019 IonicContact NZ-OE1 2.74Å; K1011-E1019 PolarHBondContact NZ-OE1 3.29Å; K1011-E1019 IonicContact NZ-OE2 2.78Å
1012	A	90.1	Very high	94.7	Very high	43 Å²	43	46.7 Å²	46.7	36%	0.355	25%	0.247	S	C	.	.	H	α-helix	trans	-66.9	-23.2	179.3	0	0	0	0	0	113.8	M871 V875 Q1008 A1009 A1010	M871-A1012 WeakPolarHBondContact CE-O 2.97Å; V875-A1012 HydrophobicContact CG2-CB 4.29Å; Q1008-A1012 WeakPolarHBondContact O-CB 3.45Å; Q1008-A1012 PolarHBondContact O-N 3.07Å; A1009-A1012 PolarHBondContact O-N 3.15Å; A1010-A1012 VanDerWaalsContact C-N 3.33Å; A1010-A1012 PolarHBondContact O-N 2.79Å
1013	I	92.1	Very high	94.8	Very high	57 Å²	57	48.5 Å²	48.5	29%	0.292	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.6	168.8	61.3	173.7	0	0	0	113.7	V875 M891 F892 A1009 A1010 K1011 N1015	V875-I1013 HydrophobicContact CG2-CG2 3.35Å; M891-I1013 HydrophobicContact CE-CD1 4.19Å; F892-I1013 HydrophobicContact CE2-CG2 4.07Å; F892-I1013 HydrophobicContact CZ-CG2 3.79Å; A1009-I1013 PolarHBondContact O-N 3.36Å; A1010-I1013 WeakPolarHBondContact O-CG1 3.47Å; A1010-I1013 PolarHBondContact O-N 3.29Å; K1011-I1013 VanDerWaalsContact C-N 3.27Å; K1011-I1013 PolarHBondContact O-N 3.08Å; I1013-N1015 VanDerWaalsContact C-N 3.3Å; I1013-N1015 HydrophobicContact CD1-CB 3.72Å; I1013-N1015 HydrophobicContact CG1-CB 3.73Å; I1013-N1015 PolarHBondContact O-N 2.88Å
1014	G	91.1	Very high	94.8	Very high	58 Å²	58	52.7 Å²	52.7	60%	0.598	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	22.2	-175.7	0	0	0	0	0	114.6	A1010 K1011 T1016	A1010-G1014 PolarHBondContact O-N 3.11Å; K1011-G1014 PolarHBondContact O-N 2.96Å; G1014-T1016 PolarHBondContact O-N 2.77Å
1015	N	93.5	Very high	94.9	Very high	42 Å²	42	47.4 Å²	47.4	23%	0.225	26%	0.262	C	S	.	.			trans	-92.9	88.6	179.2	-172.5	-27.7	0	0	0	110.7	A1010 I1013 E1017 L1018 E1019	A1010-N1015 PolarHBondContact O-N 3.24Å; I1013-N1015 VanDerWaalsContact C-N 3.3Å; I1013-N1015 HydrophobicContact CD1-CB 3.72Å; I1013-N1015 HydrophobicContact CG1-CB 3.73Å; I1013-N1015 PolarHBondContact O-N 2.88Å; N1015-E1017 PolarHBondContact O-N 2.85Å; N1015-E1017 PolarHBondContact OD1-N 2.91Å; N1015-E1017 VanDerWaalsContact OD1-N 3.14Å; N1015-L1018 HydrophobicContact CB-CB 4.39Å; N1015-L1018 HydrophobicContact CB-CD1 4.5Å; N1015-L1018 WeakPolarHBondContact ND2-CD1 3.38Å; N1015-L1018 PolarHBondContact O-N 2.99Å; N1015-L1018 PolarHBondContact OD1-N 3Å; N1015-E1019 PolarHBondContact O-N 3.35Å
1016	T	94.8	Very high	95	Very high	81 Å²	81	47.2 Å²	47.2	50%	0.497	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-27.2	179.5	-34.2	0	0	0	0	113.2	G1014 N1020	G1014-T1016 PolarHBondContact O-N 2.77Å; T1016-N1020 VanDerWaalsContact O-CB 3.25Å; T1016-N1020 WeakPolarHBondContact O-CB 3.44Å; T1016-N1020 PolarHBondContact O-N 3.36Å; T1016-N1020 PolarHBondContact O-ND2 2.93Å
1017	E	95.6	Very high	94.9	Very high	159 Å²	159	51.9 Å²	51.9	74%	0.743	29%	0.29	S	S	*	.	H	α-helix	trans	-69.6	-41.9	178.2	-62.3	-176	172.1	0	0	111.2	N1015 K1021	N1015-E1017 PolarHBondContact O-N 2.85Å; N1015-E1017 PolarHBondContact OD1-N 2.91Å; N1015-E1017 VanDerWaalsContact OD1-N 3.14Å; E1017-K1021 VanDerWaalsContact O-CB 3.27Å; E1017-K1021 WeakPolarHBondContact O-CB 3.47Å; E1017-K1021 PolarHBondContact O-N 3.32Å
1018	L	95.4	Very high	94.9	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-71	-39.7	172.2	-70.1	-179.3	0	0	0	112.1	M891 F896 A1010 N1015 N1020 K1021 F1022	M891-L1018 HydrophobicContact CE-CD1 4.33Å; F896-L1018 HydrophobicContact CB-CD2 3.77Å; A1010-L1018 HydrophobicContact CB-CB 3.75Å; N1015-L1018 HydrophobicContact CB-CB 4.39Å; N1015-L1018 HydrophobicContact CB-CD1 4.5Å; N1015-L1018 WeakPolarHBondContact ND2-CD1 3.38Å; N1015-L1018 PolarHBondContact O-N 2.99Å; N1015-L1018 PolarHBondContact OD1-N 3Å; L1018-N1020 VanDerWaalsContact C-N 3.33Å; L1018-N1020 PolarHBondContact O-N 3.43Å; L1018-K1021 PolarHBondContact O-N 2.7Å; L1018-F1022 HydrophobicContact CB-CD2 4.36Å; L1018-F1022 HydrophobicContact CB-CE2 4.07Å; L1018-F1022 HydrophobicContact CD2-CE2 4.47Å; L1018-F1022 WeakPolarHBondContact O-CD2 3.44Å; L1018-F1022 WeakPolarHBondContact O-CG 3.48Å; L1018-F1022 PolarHBondContact O-N 3.13Å
1019	E	96.3	Very high	94.9	Very high	44 Å²	44	48.9 Å²	48.9	21%	0.206	27%	0.274	C	S	.	.	H	α-helix	trans	-57.3	-47.6	175.2	-173.3	175.6	-172.8	0	0	110.6	A1010 K1011 N1015 A1023	A1010-E1019 HydrophobicContact CB-CB 4.09Å; K1011-E1019 IonicContact NZ-OE1 2.74Å; K1011-E1019 PolarHBondContact NZ-OE1 3.29Å; K1011-E1019 IonicContact NZ-OE2 2.78Å; N1015-E1019 PolarHBondContact O-N 3.35Å; E1019-A1023 VanDerWaalsContact O-CB 3.3Å; E1019-A1023 WeakPolarHBondContact O-CB 3.48Å; E1019-A1023 PolarHBondContact O-N 3.24Å
1020	N	96.5	Very high	94.8	Very high	102 Å²	102	53.1 Å²	53.1	55%	0.545	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-43.3	175.4	-73.5	-24.2	0	0	0	112.6	T1016 L1018 A1023 E1024	T1016-N1020 VanDerWaalsContact O-CB 3.25Å; T1016-N1020 WeakPolarHBondContact O-CB 3.44Å; T1016-N1020 PolarHBondContact O-N 3.36Å; T1016-N1020 PolarHBondContact O-ND2 2.93Å; L1018-N1020 VanDerWaalsContact C-N 3.33Å; L1018-N1020 PolarHBondContact O-N 3.43Å; N1020-A1023 PolarHBondContact O-N 3.27Å; N1020-E1024 WeakPolarHBondContact O-CB 3.43Å; N1020-E1024 PolarHBondContact O-N 3.34Å
1021	K	97.1	Very high	94.6	Very high	35 Å²	35	55.8 Å²	55.8	15%	0.152	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-42.1	-179.3	-173.7	-179.9	-59.5	-167	0	112.4	F896 N897 L899 A901 E1017 L1018 G1025	F896-K1021 PolarHBondContact O-NZ 3.49Å; N897-K1021 PolarHBondContact O-NZ 2.77Å; L899-K1021 WeakPolarHBondContact O-CD 3.47Å; L899-K1021 WeakPolarHBondContact O-CE 3.26Å; L899-K1021 PolarHBondContact O-NZ 3.1Å; A901-K1021 HydrophobicContact CB-CG 4.27Å; E1017-K1021 VanDerWaalsContact O-CB 3.27Å; E1017-K1021 WeakPolarHBondContact O-CB 3.47Å; E1017-K1021 PolarHBondContact O-N 3.32Å; L1018-K1021 PolarHBondContact O-N 2.7Å; K1021-G1025 PolarHBondContact O-N 2.87Å
1022	F	97.3	Very high	94.3	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	30%	0.299	C	S	.	.	H	α-helix	trans	-70.3	-35.9	174.8	-64.4	-51.3	0	0	0	111.6	M891 F896 A904 L908 L1003 M1006 C1007 A1010 L1018 G1025 I1026	M891-F1022 HydrophobicContact CE-CE2 4.41Å; F896-F1022 HydrophobicContact CB-CZ 4.11Å; F896-F1022 AromaticContact CD1-CE1 3.93Å; F896-F1022 HydrophobicContact CD1-CE1 3.93Å; F896-F1022 AromaticContact CD1-CZ 3.99Å; F896-F1022 HydrophobicContact CD1-CZ 3.99Å; F896-F1022 HydrophobicContact CD2-CZ 4.1Å; F896-F1022 HydrophobicContact CE1-CE1 4.22Å; F896-F1022 HydrophobicContact CE1-CZ 4.42Å; F896-F1022 HydrophobicContact CG-CE1 4.23Å; F896-F1022 AromaticContact CG-CZ 3.82Å; F896-F1022 HydrophobicContact CG-CZ 3.82Å; A904-F1022 HydrophobicContact CB-CE1 4.41Å; L908-F1022 HydrophobicContact CD1-CD1 4.14Å; L908-F1022 HydrophobicContact CD1-CE1 3.94Å; L1003-F1022 HydrophobicContact CD2-CB 4.09Å; L1003-F1022 HydrophobicContact CD2-CD1 3.76Å; L1003-F1022 HydrophobicContact CD2-CG 4.34Å; M1006-F1022 HydrophobicContact CB-CB 4.4Å; M1006-F1022 HydrophobicContact CB-CD1 4.08Å; M1006-F1022 HydrophobicContact CB-CD2 3.69Å; M1006-F1022 HydrophobicContact CB-CE1 4.26Å; M1006-F1022 HydrophobicContact CB-CE2 3.89Å; M1006-F1022 HydrophobicContact CB-CG 3.81Å; M1006-F1022 HydrophobicContact CB-CZ 4.17Å; M1006-F1022 HydrophobicContact CE-CE1 4.17Å; M1006-F1022 HydrophobicContact CE-CE2 3.99Å; M1006-F1022 HydrophobicContact CE-CZ 3.56Å; C1007-F1022 VanDerWaalsContact SG-CB 3.53Å; A1010-F1022 HydrophobicContact CB-CD2 4.37Å; L1018-F1022 HydrophobicContact CB-CD2 4.36Å; L1018-F1022 HydrophobicContact CB-CE2 4.07Å; L1018-F1022 HydrophobicContact CD2-CE2 4.47Å; L1018-F1022 WeakPolarHBondContact O-CD2 3.44Å; L1018-F1022 WeakPolarHBondContact O-CG 3.48Å; L1018-F1022 PolarHBondContact O-N 3.13Å; F1022-G1025 WeakPolarHBondContact O-CA 3.36Å; F1022-G1025 PolarHBondContact O-N 3.09Å; F1022-I1026 WeakPolarHBondContact O-CG1 3.27Å; F1022-I1026 PolarHBondContact O-N 2.84Å
1023	A	96.6	Very high	94.2	Very high	39 Å²	39	52.1 Å²	52.1	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-39.3	173.9	0	0	0	0	0	112.6	C1007 E1019 N1020 G1025 I1026 T1027	C1007-A1023 PolarHBondContact SG-N 3.45Å; C1007-A1023 VanDerWaalsContact SG-N 3.44Å; E1019-A1023 VanDerWaalsContact O-CB 3.3Å; E1019-A1023 WeakPolarHBondContact O-CB 3.48Å; E1019-A1023 PolarHBondContact O-N 3.24Å; N1020-A1023 PolarHBondContact O-N 3.27Å; A1023-G1025 VanDerWaalsContact C-N 3.34Å; A1023-I1026 WeakPolarHBondContact O-CB 3.36Å; A1023-I1026 PolarHBondContact O-N 3.06Å; A1023-T1027 PolarHBondContact O-N 2.97Å
1024	E	96.6	Very high	93.9	Very high	87 Å²	87	49.4 Å²	49.4	41%	0.407	27%	0.268	S	S	.	.	H	α-helix	trans	-62.1	-42.6	171.2	-170.3	-172.2	175	0	0	110.7	A901 N1020 I1026 T1027 K1028	A901-E1024 HydrophobicContact CB-CB 4.13Å; A901-E1024 HydrophobicContact CB-CG 4.08Å; N1020-E1024 WeakPolarHBondContact O-CB 3.43Å; N1020-E1024 PolarHBondContact O-N 3.34Å; E1024-I1026 VanDerWaalsContact C-N 3.33Å; E1024-I1026 PolarHBondContact O-N 3.34Å; E1024-T1027 PolarHBondContact O-N 3.03Å; E1024-T1027 VanDerWaalsContact O-N 3.1Å; E1024-T1027 PolarHBondContact O-OG1 3.34Å; E1024-K1028 HydrophobicContact CG-CD 4.37Å; E1024-K1028 PolarHBondContact O-N 3.16Å; E1024-K1028 WeakPolarHBondContact OE1-CE 3.13Å; E1024-K1028 IonicContact OE1-NZ 2.7Å; E1024-K1028 PolarHBondContact OE1-NZ 2.89Å
1025	G	96.4	Very high	93.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-53.8	-45.5	171.3	0	0	0	0	0	112.9	T905 K1021 F1022 A1023 T1027 K1028 I1029	T905-G1025 WeakPolarHBondContact OG1-CA 3.39Å; K1021-G1025 PolarHBondContact O-N 2.87Å; F1022-G1025 WeakPolarHBondContact O-CA 3.36Å; F1022-G1025 PolarHBondContact O-N 3.09Å; A1023-G1025 VanDerWaalsContact C-N 3.34Å; G1025-T1027 PolarHBondContact O-N 2.96Å; G1025-K1028 PolarHBondContact O-N 2.94Å; G1025-I1029 PolarHBondContact O-N 3.2Å
1026	I	95.3	Very high	93.2	Very high	20 Å²	20	47.6 Å²	47.6	10%	0.103	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-50.9	173.2	-65.8	170.4	0	0	0	110.2	E1000 L1003 R1004 F1022 A1023 E1024 K1028 I1029 K1030	E1000-I1026 HydrophobicContact CG-CG1 4.41Å; E1000-I1026 HydrophobicContact CG-CG2 3.87Å; L1003-I1026 HydrophobicContact CB-CD1 3.98Å; L1003-I1026 HydrophobicContact CB-CG1 3.49Å; L1003-I1026 VanDerWaalsContact CB-CG1 3.49Å; L1003-I1026 HydrophobicContact CD1-CG1 4.05Å; L1003-I1026 HydrophobicContact CG-CG1 4.37Å; R1004-I1026 HydrophobicContact CG-CD1 3.89Å; F1022-I1026 WeakPolarHBondContact O-CG1 3.27Å; F1022-I1026 PolarHBondContact O-N 2.84Å; A1023-I1026 WeakPolarHBondContact O-CB 3.36Å; A1023-I1026 PolarHBondContact O-N 3.06Å; E1024-I1026 VanDerWaalsContact C-N 3.33Å; E1024-I1026 PolarHBondContact O-N 3.34Å; I1026-K1028 VanDerWaalsContact C-N 3.29Å; I1026-K1028 PolarHBondContact O-N 2.9Å; I1026-I1029 PolarHBondContact O-N 3.46Å; I1026-K1030 HydrophobicContact CG2-CB 4.34Å; I1026-K1030 HydrophobicContact CG2-CD 4.43Å; I1026-K1030 WeakPolarHBondContact O-CB 3.48Å; I1026-K1030 PolarHBondContact O-N 2.98Å
1027	T	95.3	Very high	92.3	Very high	97 Å²	97	47.7 Å²	47.7	60%	0.595	25%	0.254	S	S	*	.	H	α-helix	trans	-64	-31.5	-178	60.6	0	0	0	0	113.6	A1023 E1024 G1025	A1023-T1027 PolarHBondContact O-N 2.97Å; E1024-T1027 PolarHBondContact O-N 3.03Å; E1024-T1027 VanDerWaalsContact O-N 3.1Å; E1024-T1027 PolarHBondContact O-OG1 3.34Å; G1025-T1027 PolarHBondContact O-N 2.96Å
1028	K	95	Very high	91.5	Very high	46 Å²	46	40.8 Å²	40.8	20%	0.2	22%	0.223	C	C	.	.	H	α-helix	trans	-72.8	-32.5	178	-74.7	-179.8	-178.2	172	0	113.5	A901 E902 A973 E1024 G1025 I1026 R1031	A901-K1028 HydrophobicContact CB-CD 4.48Å; E902-K1028 VanDerWaalsContact CD-NZ 3.3Å; E902-K1028 HydrophobicContact CG-CD 4.01Å; E902-K1028 WeakPolarHBondContact OE1-CE 3.47Å; E902-K1028 IonicContact OE1-NZ 3.48Å; E902-K1028 PolarHBondContact OE1-NZ 2.92Å; E902-K1028 IonicContact OE2-NZ 3.13Å; A973-K1028 HydrophobicContact CB-CB 4.29Å; E1024-K1028 HydrophobicContact CG-CD 4.37Å; E1024-K1028 PolarHBondContact O-N 3.16Å; E1024-K1028 WeakPolarHBondContact OE1-CE 3.13Å; E1024-K1028 IonicContact OE1-NZ 2.7Å; E1024-K1028 PolarHBondContact OE1-NZ 2.89Å; G1025-K1028 PolarHBondContact O-N 2.94Å; I1026-K1028 VanDerWaalsContact C-N 3.29Å; I1026-K1028 PolarHBondContact O-N 2.9Å; K1028-R1031 PolarHBondContact O-NE 3.39Å
1029	I	94.8	Very high	90.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-91.1	-26.8	175.8	70.9	175.2	0	0	0	113.6	T905 W972 A973 L999 E1000 L1003 G1025 I1026 R1031 F1035	T905-I1029 HydrophobicContact CG2-CD1 4.47Å; T905-I1029 HydrophobicContact CG2-CG2 3.6Å; W972-I1029 PolarHBondContact NE1-O 2.95Å; A973-I1029 HydrophobicContact CB-CG2 4.31Å; L999-I1029 HydrophobicContact CB-CD1 4.34Å; L999-I1029 HydrophobicContact CD2-CD1 4.29Å; L999-I1029 HydrophobicContact CG-CD1 4.11Å; E1000-I1029 HydrophobicContact CB-CD1 4.05Å; L1003-I1029 HydrophobicContact CD1-CD1 3.7Å; L1003-I1029 HydrophobicContact CD1-CG1 4.49Å; G1025-I1029 PolarHBondContact O-N 3.2Å; I1026-I1029 PolarHBondContact O-N 3.46Å; I1029-R1031 PolarHBondContact O-N 3.23Å; I1029-F1035 HydrophobicContact CG1-CE2 4.46Å; I1029-F1035 WeakPolarHBondContact O-CD2 3.43Å; I1029-F1035 VanDerWaalsContact O-CE2 3.24Å; I1029-F1035 WeakPolarHBondContact O-CE2 3.26Å
1030	K	92.6	Very high	89.5	Confident	90 Å²	90	41.7 Å²	41.7	39%	0.391	23%	0.228	S	C	.	.	S	Bend	trans	-83.2	73.9	-173.7	-165.9	174.3	-165.1	148.2	0	112.7	E1000 I1026 F1035	E1000-K1030 VanDerWaalsContact OE1-CD 3.3Å; E1000-K1030 WeakPolarHBondContact OE1-CD 3.27Å; E1000-K1030 WeakPolarHBondContact OE1-CE 3.43Å; E1000-K1030 IonicContact OE1-NZ 3.35Å; E1000-K1030 PolarHBondContact OE1-NZ 2.91Å; I1026-K1030 HydrophobicContact CG2-CB 4.34Å; I1026-K1030 HydrophobicContact CG2-CD 4.43Å; I1026-K1030 WeakPolarHBondContact O-CB 3.48Å; I1026-K1030 PolarHBondContact O-N 2.98Å; K1030-F1035 HydrophobicContact CB-CD2 4.28Å; K1030-F1035 HydrophobicContact CB-CE2 4.43Å; K1030-F1035 HydrophobicContact CB-CG 4.46Å; K1030-F1035 HydrophobicContact CD-CD1 4.48Å; K1030-F1035 HydrophobicContact CG-CB 4.05Å; K1030-F1035 HydrophobicContact CG-CD1 3.96Å; K1030-F1035 HydrophobicContact CG-CD2 4.05Å; K1030-F1035 HydrophobicContact CG-CE1 4.45Å; K1030-F1035 HydrophobicContact CG-CG 3.74Å
1031	R	90.5	Very high	88.4	Confident	55 Å²	55	41.5 Å²	41.5	21%	0.208	23%	0.226	C	C	.	.			trans	-147.8	165.3	177.2	59.2	-178.2	178	91.1	0.4	112.1	W972 G975 A976 K1028 I1029	W972-R1031 VanDerWaalsContact CE3-NH2 3.25Å; W972-R1031 HydrophobicContact CH2-CG 4.21Å; W972-R1031 VanDerWaalsContact CH2-NH1 3.33Å; W972-R1031 HydrophobicContact CZ2-CG 3.62Å; W972-R1031 PolarHBondContact O-NH2 2.77Å; G975-R1031 VanDerWaalsContact C-NH2 3.29Å; A976-R1031 PolarHBondContact O-NH1 2.94Å; A976-R1031 PolarHBondContact O-NH2 3.05Å; K1028-R1031 PolarHBondContact O-NE 3.39Å; I1029-R1031 PolarHBondContact O-N 3.23Å
1032	D	87.3	Confident	88	Confident	77 Å²	77	41.8 Å²	41.8	41%	0.412	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	52.1	-156.6	167.5	-42.1	-39.4	0	0	0	114.2	W972 V1034 F1035 A1036	W972-D1032 HydrophobicContact CH2-CB 4.09Å; D1032-V1034 PolarHBondContact O-N 3.3Å; D1032-F1035 PolarHBondContact O-N 2.74Å; D1032-F1035 VanDerWaalsContact O-N 3.08Å; D1032-A1036 PolarHBondContact O-N 3.16Å
1033	I	87.2	Confident	87.5	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-49.1	-29.2	-176.4	-171.8	165.4	0	0	0	115.3	L430 D434 L437 L459 F978 I993 F1035 A1036	L430-I1033 HydrophobicContact CD1-CD1 4.02Å; L430-I1033 HydrophobicContact CD1-CG1 4.47Å; L430-I1033 HydrophobicContact CD2-CB 4.08Å; L430-I1033 HydrophobicContact CD2-CD1 4.29Å; L430-I1033 HydrophobicContact CD2-CG1 3.84Å; D434-I1033 HydrophobicContact CB-CB 4.11Å; D434-I1033 HydrophobicContact CB-CD1 4.31Å; D434-I1033 VanDerWaalsContact OD1-CG2 3.31Å; D434-I1033 WeakPolarHBondContact OD1-CG2 3.26Å; D434-I1033 PolarHBondContact OD2-N 3.22Å; L437-I1033 HydrophobicContact CD1-CD1 3.66Å; L459-I1033 HydrophobicContact CD1-CD1 3.9Å; L459-I1033 HydrophobicContact CD2-CD1 4.21Å; F978-I1033 HydrophobicContact CB-CG2 3.78Å; F978-I1033 HydrophobicContact CD1-CG2 3.8Å; F978-I1033 HydrophobicContact CD2-CG2 3.9Å; F978-I1033 HydrophobicContact CE1-CG2 4.38Å; F978-I1033 HydrophobicContact CE2-CG2 4.48Å; F978-I1033 HydrophobicContact CG-CG2 3.54Å; I993-I1033 HydrophobicContact CD1-CG1 4.34Å; I1033-F1035 VanDerWaalsContact C-N 3.25Å; I1033-F1035 PolarHBondContact O-N 3.38Å; I1033-A1036 PolarHBondContact O-N 3.47Å
1034	V	86.9	Confident	87	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-60.9	-37.5	-177.9	-174.3	0	0	0	0	111.2	W972 F978 I993 M996 R997 D1032	W972-V1034 HydrophobicContact CH2-CG2 3.82Å; W972-V1034 HydrophobicContact CZ2-CB 4.1Å; W972-V1034 HydrophobicContact CZ2-CG2 3.36Å; F978-V1034 HydrophobicContact CD2-CG2 3.71Å; F978-V1034 HydrophobicContact CE2-CG2 3.87Å; I993-V1034 HydrophobicContact CG1-CG1 4.37Å; I993-V1034 HydrophobicContact CG1-CG2 4.3Å; I993-V1034 HydrophobicContact CG2-CG1 4.19Å; I993-V1034 WeakPolarHBondContact CG2-O 3.14Å; M996-V1034 HydrophobicContact CB-CG1 3.34Å; M996-V1034 HydrophobicContact CG-CG1 3.81Å; R997-V1034 PolarHBondContact NE-O 3Å; R997-V1034 PolarHBondContact NH2-O 3.19Å; D1032-V1034 PolarHBondContact O-N 3.3Å
1035	F	84.5	Confident	86.4	Confident	44 Å²	44	41.7 Å²	41.7	19%	0.193	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-116.8	22.3	-178.6	-66.9	-90.2	0	0	0	113.5	M996 R997 E1000 I1029 K1030 D1032 I1033 A1037	M996-F1035 HydrophobicContact CB-CE2 4.49Å; R997-F1035 HydrophobicContact CG-CD1 4.33Å; R997-F1035 HydrophobicContact CG-CE1 3.94Å; R997-F1035 HydrophobicContact CG-CZ 4.34Å; E1000-F1035 HydrophobicContact CB-CE1 3.71Å; E1000-F1035 HydrophobicContact CB-CZ 3.65Å; E1000-F1035 HydrophobicContact CG-CE1 3.88Å; E1000-F1035 HydrophobicContact CG-CZ 4.02Å; I1029-F1035 HydrophobicContact CG1-CE2 4.46Å; I1029-F1035 WeakPolarHBondContact O-CD2 3.43Å; I1029-F1035 VanDerWaalsContact O-CE2 3.24Å; I1029-F1035 WeakPolarHBondContact O-CE2 3.26Å; K1030-F1035 HydrophobicContact CB-CD2 4.28Å; K1030-F1035 HydrophobicContact CB-CE2 4.43Å; K1030-F1035 HydrophobicContact CB-CG 4.46Å; K1030-F1035 HydrophobicContact CD-CD1 4.48Å; K1030-F1035 HydrophobicContact CG-CB 4.05Å; K1030-F1035 HydrophobicContact CG-CD1 3.96Å; K1030-F1035 HydrophobicContact CG-CD2 4.05Å; K1030-F1035 HydrophobicContact CG-CE1 4.45Å; K1030-F1035 HydrophobicContact CG-CG 3.74Å; D1032-F1035 PolarHBondContact O-N 2.74Å; D1032-F1035 VanDerWaalsContact O-N 3.08Å; I1033-F1035 VanDerWaalsContact C-N 3.25Å; I1033-F1035 PolarHBondContact O-N 3.38Å; F1035-A1037 PolarHBondContact O-N 2.83Å
1036	A	84.1	Confident	85.8	Confident	18 Å²	18	44.3 Å²	44.3	15%	0.149	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-50.8	136.8	164.8	0	0	0	0	0	110.9	L430 R997 D1032 I1033	L430-A1036 HydrophobicContact CD2-CB 3.99Å; R997-A1036 PolarHBondContact NH2-O 3.12Å; D1032-A1036 PolarHBondContact O-N 3.16Å; I1033-A1036 PolarHBondContact O-N 3.47Å
1037	A	76.7	Confident	85.2	Confident	82 Å²	82	45.9 Å²	45.9	68%	0.678	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-61.5	158.9	179.4	0	0	0	0	0	111.6	F1035	F1035-A1037 PolarHBondContact O-N 2.83Å
1038	S	78.8	Confident	84.5	Confident	14 Å²	14	42.3 Å²	42.3	10%	0.098	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-79	135.4	174.4	-175.2	0	0	0	0	109.4	N195 E464 Y1040 L1041	N195-S1038 WeakPolarHBondContact ND2-CB 3.45Å; N195-S1038 PolarHBondContact ND2-OG 2.83Å; N195-S1038 VanDerWaalsContact ND2-OG 3.1Å; E464-S1038 VanDerWaalsContact CD-OG 3.23Å; E464-S1038 WeakPolarHBondContact OE1-CB 3.27Å; E464-S1038 PolarHBondContact OE1-OG 2.75Å; E464-S1038 WeakPolarHBondContact OE2-CA 3.45Å; E464-S1038 PolarHBondContact OE2-OG 3.28Å; S1038-Y1040 PolarHBondContact O-N 2.98Å; S1038-L1041 PolarHBondContact O-N 3.04Å
1039	L	79.1	Confident	83.6	Confident	42 Å²	42	42 Å²	42	22%	0.22	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-3.1	-179.9	-58.3	175.9	0	0	0	113.7	A426 I461 E464 T465 I468	A426-L1039 HydrophobicContact CB-CD1 3.76Å; A426-L1039 HydrophobicContact CB-CD2 4.23Å; I461-L1039 HydrophobicContact CG1-CD1 4.2Å; I461-L1039 HydrophobicContact CG1-CD2 4.43Å; I461-L1039 HydrophobicContact CG1-CG 4.38Å; E464-L1039 HydrophobicContact CB-CB 4.19Å; E464-L1039 HydrophobicContact CB-CD1 3.91Å; E464-L1039 HydrophobicContact CB-CG 4.2Å; E464-L1039 PolarHBondContact OE2-N 2.95Å; T465-L1039 WeakPolarHBondContact OG1-CD1 3.38Å; I468-L1039 HydrophobicContact CD1-CB 3.9Å; I468-L1039 HydrophobicContact CD1-CD1 4.16Å
1040	Y	71.8	Confident	82.7	Confident	25 Å²	25	45.5 Å²	45.5	10%	0.098	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-4.2	175.6	-66.5	-69.5	0	0	0	114.2	N195 E464 E467 S1038	N195-Y1040 HydrophobicContact CB-CG 4.42Å; E464-Y1040 HydrophobicContact CB-CE2 4.28Å; E464-Y1040 HydrophobicContact CG-CD2 4.24Å; E464-Y1040 HydrophobicContact CG-CE2 3.88Å; E467-Y1040 VanDerWaalsContact CB-OH 3.25Å; E467-Y1040 WeakPolarHBondContact CB-OH 3.2Å; E467-Y1040 WeakPolarHBondContact OE2-CE2 3.14Å; E467-Y1040 PolarHBondContact OE2-OH 3.38Å; S1038-Y1040 PolarHBondContact O-N 2.98Å
1041	L	73.3	Confident	81.8	Confident	97 Å²	97	41.5 Å²	41.5	51%	0.508	23%	0.234	S	C	.	.			trans	-117	0	-169.9	-60.6	-178.7	0	0	0	113.6	N195 Y198 L210 V215 I217 S1038	N195-L1041 HydrophobicContact CB-CD2 3.97Å; N195-L1041 HydrophobicContact CB-CG 4.42Å; Y198-L1041 HydrophobicContact CD1-CD2 4.04Å; Y198-L1041 HydrophobicContact CE1-CD2 4.42Å; L210-L1041 HydrophobicContact CD2-CD1 4.43Å; L210-L1041 HydrophobicContact CD2-CD2 3.46Å; L210-L1041 VanDerWaalsContact CD2-CD2 3.46Å; V215-L1041 HydrophobicContact CB-CD1 4.38Å; V215-L1041 HydrophobicContact CG1-CD1 4.29Å; V215-L1041 HydrophobicContact CG2-CD1 4Å; I217-L1041 HydrophobicContact CD1-CD2 4.38Å; S1038-L1041 PolarHBondContact O-N 3.04Å

Retrieved 1,041 of 1,041 residues in 231.5 ms (Link to these results)

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